The 2023 MDPI Annual Report has
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12 pages, 1073 KiB  
Article
Prevalence and Species Distribution of Candida Clinical Isolates in a Tertiary Care Hospital in Ecuador Tested from January 2019 to February 2020
by Yessenia Acosta-Mosquera, Juan Carlos Tapia, Rubén Armas-González, María José Cáceres-Valdiviezo, Juan Carlos Fernández-Cadena and Derly Andrade-Molina
J. Fungi 2024, 10(5), 304; https://doi.org/10.3390/jof10050304 (registering DOI) - 24 Apr 2024
Abstract
The incidence of candidemia in healthcare centers is associated with high morbidity and mortality. Frequency varies significantly among regions, with some species being more prevalent than others in Latin America. In this study, 191 clinical Candida isolates were collected from a major hospital [...] Read more.
The incidence of candidemia in healthcare centers is associated with high morbidity and mortality. Frequency varies significantly among regions, with some species being more prevalent than others in Latin America. In this study, 191 clinical Candida isolates were collected from a major hospital in Ecuador from January 2019 to February 2020 aiming to assess their prevalence and distribution. After data processing, 168 isolates characterized by the VITEK 2 system were subsequently identified by ITS sequencing. Results showed diverse Candida species distributions, with C. albicans and C. tropicalis being the most prevalent across different clinical sources. In hospitalized individuals, C. tropicalis (38%) and C. albicans (37%) were the most prevalent, followed by, C. parapsilosis (16%), C. glabrata (5%), and other non-Candida albicans (NCA) species (6%). Conversely, C. parapsilosis (48%), C. albicans (20%), and C. glabrata (14%), associated with candidemia, were the most common in blood and CSF. Additionally, uncommon NCA species such as C. haemulonii, C. kefyr, and C. pelliculosa were identified in Ecuador for the first time. Discrepancies in species identification were observed between the VITEK 2 system and ITS sequencing, coinciding at 85%. This highlights the need for ongoing surveillance and identification efforts in Ecuador’s clinical and epidemiological settings. Full article
(This article belongs to the Special Issue New Perspectives for Candidiasis 2.0)
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10 pages, 669 KiB  
Article
Domestic Accidents of Children in the Orodara District of Burkina Faso: Mothers’ Knowledge of First-Aid Practices
by Abou Coulibaly, Armel Emmanuel Sogo, Anata Bara, Barbara E. Wildhaber and Sophie Inglin
Int. J. Environ. Res. Public Health 2024, 21(5), 523; https://doi.org/10.3390/ijerph21050523 (registering DOI) - 24 Apr 2024
Abstract
First-aid practices after a domestic accident are not always known, especially in Africa. This study aimed to measure mothers’ knowledge of emergency procedures and attitudes in the event of domestic accidents in children. We conducted a cross-sectional study in the Orodara health district, [...] Read more.
First-aid practices after a domestic accident are not always known, especially in Africa. This study aimed to measure mothers’ knowledge of emergency procedures and attitudes in the event of domestic accidents in children. We conducted a cross-sectional study in the Orodara health district, Kénédougou province, Burkina Faso, among mothers of children aged 0–14 years. The dependent variable was the mothers’ knowledge of domestic accident first-aid practices, and the independent variables were the sociodemographic characteristics of the households and the mothers. Determinants were identified using linear regression with a threshold of 5%. A total of 798 mothers were surveyed. The mean knowledge score was 6.9 (standard deviation = 1.5) out of 19. Upon our multivariate analysis, the factors associated with the mothers’ knowledge about first-aid practices were the mothers’ age, the number of children under 14 years old living in the same household, the household size, the score for knowledge of non-recommended attitudes, the mothers’ level of education, and the place of residence. This study showed that awareness campaigns, especially in rural areas, seem important in improving mothers’ knowledge of first-aid practices in domestic accidents and, therefore, reducing the morbidity and mortality associated with domestic accidents. Full article
(This article belongs to the Section Global Health)
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13 pages, 226 KiB  
Article
Ways of Spouse Support in Garment Workers’ Workplace Resistance: A Qualitative Study
by Md. Mynul Islam and Kyoko Kusakabe
Soc. Sci. 2024, 13(5), 230; https://doi.org/10.3390/socsci13050230 (registering DOI) - 24 Apr 2024
Abstract
This qualitative study aimed to explore the different ways of spouse support for garment workers in Dhaka city. Data were collected through in-depth interviews with male and female workers and their spouses and key informant interviews with relevant stakeholders to explore the different [...] Read more.
This qualitative study aimed to explore the different ways of spouse support for garment workers in Dhaka city. Data were collected through in-depth interviews with male and female workers and their spouses and key informant interviews with relevant stakeholders to explore the different ways of support. The results highlight that male and female workers receive different ways of support for their ways in workplace resistance; therefore, male and female workers cannot participate in their workplace resistance in the same way. In terms of large collective resistance activities, husbands and wives support their spouses’ decisions to participate. Such agreement is important for workers to receive financial and other supports during the protest. However, not all female workers can participate inside and outside large groups of collective resistance as can male workers. Some female workers need to convince their husbands in order to participate inside and outside large groups of collective resistance, because husbands are serious about adherence to purdah. Such restrictions from husbands make it difficult for female workers who are in a dilemma between pressure from coworkers and from their husbands. In terms of small groups of collective resistance and individual resistance, women are more engaged than men, since men, being the main breadwinner in the family, cannot risk their jobs through such resistance. Full article
(This article belongs to the Section Family Studies)
18 pages, 3857 KiB  
Article
The Synergistic Effect of Lemongrass Essential Oil and Flometoquin, Flonicamid, and Sulfoxaflor on Bemisia tabaci (Genn.) (Hemiptera: Aleyrodidae): Insights into Toxicity, Biochemical Impact, and Molecular Docking
by Moataz A. M. Moustafa, Fatma S. Ahmed, Nawal Abdulaziz Alfuhaid, Nourhan A. El-Said, El-Desoky S. Ibrahim and Mona Awad
Insects 2024, 15(5), 302; https://doi.org/10.3390/insects15050302 (registering DOI) - 24 Apr 2024
Abstract
The whitefly, Bemisia tabaci (Genn.), is one of the most dangerous polyphagous pests in the world. Eco-friendly compounds and new chemical insecticides have gained recognition for whitefly control. In this study, the toxicity and biochemical impact of flometoquin, flonicamid, and sulfoxaflor, alone or [...] Read more.
The whitefly, Bemisia tabaci (Genn.), is one of the most dangerous polyphagous pests in the world. Eco-friendly compounds and new chemical insecticides have gained recognition for whitefly control. In this study, the toxicity and biochemical impact of flometoquin, flonicamid, and sulfoxaflor, alone or combined with lemongrass essential oil (EO), against B. tabaci was studied. In addition, a molecular docking study was conducted to assess the binding affinity of the tested compounds to AchE. Based on the LC values, the descending order of the toxicity of the tested compounds to B. tabaci adults was as follows: sulfoxaflor > flonicamid > flometoquin > lemongrass EO. The binary mixtures of each of the tested compounds with lemongrass EO exhibited synergism in all combinations, with observed mortalities ranging from 15.09 to 22.94% higher than expected for an additive effect. Sulfoxaflor and flonicamid, alone or in combination with lemongrass EO, significantly inhibited AchE activity while only flonicamid demonstrated a significant impact on α-esterase, and none of the tested compounds affected cytochrome P450 or GST. However, the specific activity of P450 was significantly inhibited by the lemongrass/sulfoxaflor mixture while α-esterase activity was significantly inhibited by the lemongrass/flometoquin mixture. Moreover, the lemongrass EO and all the tested insecticides exhibited significant binding affinity to AchE with energy scores ranging from −4.69 to −7.06 kcal/mol. The current findings provide a foundation for utilizing combinations of essential oils and insecticides in the integrated pest management (IPM) of B. tabaci. Full article
(This article belongs to the Special Issue Chemical Toxicology and Insecticide Resistance on Insect Pests)
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23 pages, 2828 KiB  
Article
Modeling and Performance Analysis of a Notification-Based Method for Processing Video Queries on the Fly
by Clayton Kossoski, Jean Marcelo Simão and Heitor Silvério Lopes
Appl. Sci. 2024, 14(9), 3566; https://doi.org/10.3390/app14093566 (registering DOI) - 24 Apr 2024
Abstract
With the rapid growth of video data, the search for content and events in videos is becoming increasingly relevant, and many challenges arise. Various approaches have been proposed to deal with many issues. However, many open questions are still related to computational cost [...] Read more.
With the rapid growth of video data, the search for content and events in videos is becoming increasingly relevant, and many challenges arise. Various approaches have been proposed to deal with many issues. However, many open questions are still related to computational cost and latency, especially for real-time applications. Considering the need for new and efficient solutions, the so-called NOP (Notification Oriented Paradigm) could be a suitable alternative. NOP introduced a new way of thinking and developing software in which small collaborative entities perform fact execution and logical decision processing based on precise notifications. Following these concepts and practical tools, this paper proposes a new querying processing method based on NOP, focusing on search and matching in a continuous flow context. Experiments on a labeled dataset demonstrated the suitability of the proposed method for low-latency processing with polynomial complexity. The results are better than the state of the art, which works at exponential cost. Full article
(This article belongs to the Special Issue AI Applications in the Industrial Technologies)
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16 pages, 5476 KiB  
Article
Analysis and Compensation of Lorentz Force Magnetic Bearing Magnetic Flux Density Uniformity Error
by Chunmiao Yu, Yuanwen Cai, Weijie Wang, Wenjing Han, Zengyuan Yin and Wenting Han
Sensors 2024, 24(9), 2683; https://doi.org/10.3390/s24092683 (registering DOI) - 24 Apr 2024
Abstract
Aiming at the influence of the magnetic flux density uniformity error (MFDUE) of the Lorentz force magnetic bearing (LFMB) on the sensitivity accuracy of magnetically suspended control and sensing gyroscopes (MSCSGs) on the angular rate of a spacecraft, a high precision measurement method [...] Read more.
Aiming at the influence of the magnetic flux density uniformity error (MFDUE) of the Lorentz force magnetic bearing (LFMB) on the sensitivity accuracy of magnetically suspended control and sensing gyroscopes (MSCSGs) on the angular rate of a spacecraft, a high precision measurement method of the angular rate of a spacecraft based on the MFDUE compensation of LFMB is proposed. Firstly, the structure of MSCSG and the sensitivity principle of MSCSG to the spacecraft angular rate are introduced. The mechanism influencing the accuracy of MSCSG to spacecraft angular rate sensitivity is deduced based on the definition of magnetic flux density uniformity. Secondly, the 3D magnetic flux distribution of LFMB is analyzed using ANSYS. The relationship between the rotor tilt angle, tilt angular rate, and magnetic flux density is established. The induced current calculation model due to MFDUE is proposed, and the LFMB magnetic flux density error compensation is realized. Finally, the simulation results show that the estimation accuracy of the induced current by the proposed method can reach 96%, and the simulation and the experiment show that the error compensation method can improve the accuracy of MSCSG in measuring the spacecraft angular rate by 12.5%. Full article
(This article belongs to the Section Physical Sensors)
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13 pages, 2458 KiB  
Article
Relationship of the “Dequada” Phenomenon with Mercury Methylation in Pantanal, Brazil
by Glaucia A. Nunes, Dayana D. Ramos, Juliane C. Forti, Diovany D. Ramos, Lincoln C. S. Oliveira, David S. S. Junior, Gabriel E. Santo and Felipe A. Santos
Water 2024, 16(9), 1204; https://doi.org/10.3390/w16091204 (registering DOI) - 24 Apr 2024
Abstract
The illegal activity of gold mining in the Brazilian Pantanal is contaminating the aquatic ecosystem with mercury. This contamination has been potentiated by mercury methylation due to a typical natural phenomenon of the Pantanal ecosystem known as “dequada”. The present study estimated in [...] Read more.
The illegal activity of gold mining in the Brazilian Pantanal is contaminating the aquatic ecosystem with mercury. This contamination has been potentiated by mercury methylation due to a typical natural phenomenon of the Pantanal ecosystem known as “dequada”. The present study estimated in the laboratory the temporal production of methylmercury at two timepoints: the beginning of a flood, when the “dequada” phenomenon occurs, and the dry season without such phenomenon. After collecting water and sediment, experiments were performed with microcosms to reproduce conditions close to nature. To monitor the concentration of methylmercury, 1.0 mg L−1 of Hg2+ was added to water and sediment experiments in the Castelo and Saracura bays, both during the “dequada” and without it; monitoring lasted for 25 days. The methylmercury concentration was analyzed using atomic fluorescence spectrometry, total organic carbon using TOC 5000A, and physical and chemical parameters such as pH, redox potential, and dissolved oxygen with a multi-parameter probe. The results led to the conclusion that the “dequada” phenomenon significantly affected mercury methylation, because the environmental changes caused by this phenomenon such as the increased concentration of organic matter, decreased dissolved oxygen, and decreased pH, potentiated mercury methylation. During the “dequada” in the Castelo bay, the methylation rate was 3.5 times higher (6297.56 ng L−1) than in the experiment without the “dequada” (1827.44 ng L−1). Therefore, the gold mining activity in Pantanal can cause great damage to the ecosystem because this environment favors mercury methylation, making its most toxic form active in the aquatic ecosystem of Pantanal. Full article
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14 pages, 1375 KiB  
Article
Human Consumption of Non-Native Species in a Circular Economy: Determination of Persistent Organic Pollutants in the Invasive Signal Crayfish from a Baltic Coastal River and Its Assessment for Consumption
by Aldona Dobrzycka-Krahel, Michał E. Skóra and Marika Malek
Sustainability 2024, 16(9), 3532; https://doi.org/10.3390/su16093532 (registering DOI) - 24 Apr 2024
Abstract
A circular economy aims at decoupling value creation from waste generation and resource use. The signal crayfish Pacifastacus leniusculus is kept worldwide in aquaculture and after escaping into the wild, may further be used for human consumption rather than eradicated and used for [...] Read more.
A circular economy aims at decoupling value creation from waste generation and resource use. The signal crayfish Pacifastacus leniusculus is kept worldwide in aquaculture and after escaping into the wild, may further be used for human consumption rather than eradicated and used for purposes such as fertilizing fields. The level of contamination by two groups of persistent organic pollutants (POPs), polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs), in non-native signal crayfish from a Baltic coastal river, was measured in two locations (under anthropogenic pressure and semi-natural pressure) to understand whether its consumption might be a threat to human health. Concentrations of indicators and total compounds of POPs in the edible parts of crayfish (muscular tissue of crayfish) with potential human health risks were determined. The levels of concentrations of POPs meet the requirements of Regulations (EU) No. 836/2011 and No. 1259/2011 for the consumption of crustaceans. Our results also indicate no significant public health risk caused by consumption of the signal crayfish (hazard quotients (HQ) < 1). The results show that the bioaccumulation of POPs depends on the species’ traits and environment. Full article
(This article belongs to the Special Issue Circular Economy in Agricultural, Fisheries, and Foods)
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14 pages, 6723 KiB  
Technical Note
Effects of Ice-Microstructure-Based Inherent Optical Properties Parameterization in the CICE Model
by Yiming Zhang and Jiping Liu
Remote Sens. 2024, 16(9), 1494; https://doi.org/10.3390/rs16091494 (registering DOI) - 24 Apr 2024
Abstract
The constant inherent optical properties (IOPs) for sea ice currently applied in sea ice models do not realistically represent the dividing of shortwave radiative fluxes in sea ice and the ocean below it. Here we implement a parameterization of variable IOPs based on [...] Read more.
The constant inherent optical properties (IOPs) for sea ice currently applied in sea ice models do not realistically represent the dividing of shortwave radiative fluxes in sea ice and the ocean below it. Here we implement a parameterization of variable IOPs based on ice microstructures in the Los Alamos sea ice model, version 6.0 (CICE6) and investigate its effects on the simulation of the dividing of shortwave radiation and sea ice in the Arctic. Our sensitivity experiments indicate that variable IOP parameterization results in strong seasonal variation for the IOP parameters, typically reaching the seasonal maximum in the boreal summer. With such large differences, variable IOP parameterization leads to increased absorbed solar radiation at the surface and in the interior of Arctic sea ice relative to constant IOPs, up to ~3 W/m2, but decreased solar radiation penetrating into the ocean, up to ~5–6 W/m2. The changes in the dividing of shortwave fluxes in sea ice and the ocean below it induced by the variable IOPs have significant influence on Arctic sea ice thickness by modulating surface and bottom melting and frazil ice formation (increasing surface melting by ~16% and reducing bottom melting by ~11% in summer). Full article
(This article belongs to the Special Issue Remote Sensing of Polar Sea Ice)
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17 pages, 6537 KiB  
Article
Precipitation Changes on the Northern Slope of the Kunlun Mountains in the Past 42 Years
by Zhenhua Xia, Yaning Chen, Xueqi Zhang, Zhi Li, Gonghuan Fang, Chengang Zhu, Yupeng Li, Jinglong Li, Qianqian Xia and Qixiang Liang
Water 2024, 16(9), 1203; https://doi.org/10.3390/w16091203 (registering DOI) - 24 Apr 2024
Abstract
The precipitation on the northern slope of the Kunlun Mountains significantly impacts the green economy of the Tarim Basin’s southern edge. Observations have noted an expansion of the surface water area in this region, though the reasons for this are not yet fully [...] Read more.
The precipitation on the northern slope of the Kunlun Mountains significantly impacts the green economy of the Tarim Basin’s southern edge. Observations have noted an expansion of the surface water area in this region, though the reasons for this are not yet fully understood. Due to limited instrumental data, this study leverages field measurements from the third Xinjiang comprehensive expedition and multiple gridded datasets. Through trend analysis and a geographical detector model, it examines the precipitation’s decadal, interannual, and seasonal variations across key areas (Hotan River Basin, Keriya River Basin, Qarqan River Basin, and Kumukuli Basin), identifying factors behind the spatial and temporal distribution of regional precipitation. The findings reveal the following: (1) An increase in annual precipitation across the region from 187.41 mm in the 1980s to 221.23 mm in the early 21st century, at a rate of 10.21 mm/decade, with the most significant rise in the eastern Kunlun-Kumukuli Basin. (2) Precipitation exhibits clear seasonal and spatial patterns, predominantly occurring in spring and summer, accounting for 90.27% of the annual total, with a general decrease from the mountains towards downstream areas. (3) Rising average annual temperatures contribute to an unstable atmospheric structure and increased water-holding capacity, facilitating precipitation. Significant influences on precipitation changes include the North Atlantic Oscillation and solar flux, explaining 43.98% and 31.21% of the variation, respectively. Full article
(This article belongs to the Section Water and Climate Change)
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20 pages, 4083 KiB  
Article
Technical, Musical, and Legal Aspects of an AI-Aided Algorithmic Music Production System
by Joanna Kwiecień, Paweł Skrzyński, Wojciech Chmiel, Andrzej Dąbrowski, Bartłomiej Szadkowski and Marek Pluta
Appl. Sci. 2024, 14(9), 3541; https://doi.org/10.3390/app14093541 - 23 Apr 2024
Abstract
Even though algorithmic composition might be considered a centuries-old concept, it has been gaining particular momentum since the introduction of computer-based techniques. The development of artificial intelligence (AI) methods, culminating in the latest achievements of deep learning techniques, has provided tools to automatically [...] Read more.
Even though algorithmic composition might be considered a centuries-old concept, it has been gaining particular momentum since the introduction of computer-based techniques. The development of artificial intelligence (AI) methods, culminating in the latest achievements of deep learning techniques, has provided tools to automatically compose and even produce music. This paper discusses various aspects of the entire process within a context of designing a system able to automatically generate a score and recordings belonging to selected musical genres. It begins with the idea and design overview, followed by considerations regarding the algorithmic formulation of selected musical rules and principles. The system implements a hybrid approach, combining conventional, i.e., stochastic or rule-based, and AI elements. The latter are applied to facilitate the generation of selected layers of composition and to constitute a classifier with a task of evaluating the generated recordings. Selected stages of music generation are discussed, for example how motifs are processed into phrases and how phrases are used in the context of a whole song. To validate the system operation results, an evaluation of the quality of the produced music recordings was conducted, including a test with a group of listeners. The analysis also touches upon some legal aspects related to the creation of algorithmic compositions. Full article
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24 pages, 9676 KiB  
Article
Qualification and Quantification of Porosity at the Top of the Fuel Pins in Metallic Fuels Using Image Processing
by Andrei V. Gribok, Fidelma G. Di Lemma, Jake Fay, Douglas L. Porter, Kyle M. Paaren and Luca Capriotti
Energies 2024, 17(9), 1990; https://doi.org/10.3390/en17091990 - 23 Apr 2024
Abstract
Approximately 130,000 metal fuel pins were irradiated in the Experimental Breeder Reactor II (EBR-II) during its 30 years of operation to develop and characterize existing and prospective fuels. For many of the metal fuel irradiation experiments, neutron radiography imaging was performed to characterize [...] Read more.
Approximately 130,000 metal fuel pins were irradiated in the Experimental Breeder Reactor II (EBR-II) during its 30 years of operation to develop and characterize existing and prospective fuels. For many of the metal fuel irradiation experiments, neutron radiography imaging was performed to characterize fuel behavior, such as fuel axial expansion. While several fuel expansion results obtained from neutron radiography imaging have been published, the analysis of neutron radiography for the purpose of describing statistical properties of porous matter formed on top of the fuel pins, also referred to as fluff in previous publications, is significantly less represented in the literature with just a single paper so far. This study aims to validate and augment results reported in previous publications using automated image processing. The paper describes the statistical properties of the porous matter in terms of nine parameters derived from radiography images and correlates those parameters with such fuel properties as composition, expansion, temperature, and burnup. The reported results are based on 1097 fuel pins of eight different fuel compositions. For three major fuel types, U-10Zr, U-8Pu-10Zr, and U-19Pu-10Zr, a clear negative correlation is found between the Pu content and five parameters describing the amount of porous matter generated. The parameters describing granularity properties, however, showed either negative correlation or nonlinear dependency from fuel composition. The parameters describing the amount showed a positive correlation with fuel axial expansion, while granularity parameters showed a negative correlation with axial expansion. The dependency on cladding temperature was found to be weak. A positive correlation is demonstrated for volume parameters and fuel burnup. In general, reported results confirm and validate findings published in previous studies using a much larger number of pins and automated processing techniques, which easily lend themselves to reproducibility, thus avoiding subjective bias. Full article
(This article belongs to the Section B4: Nuclear Energy)
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21 pages, 1152 KiB  
Article
Construction of Ruled Surfaces from the W-Curves and Their Characterizations in E3
by Samah Gaber, Adel H. Sorour and A. A. Abdel-Salam
Symmetry 2024, 16(5), 509; https://doi.org/10.3390/sym16050509 - 23 Apr 2024
Abstract
Ruled surfaces are considered one of the significant aspects of differential geometry. These surfaces are formed by the motion of a straight line called a generator, and every curve that intersects all the generators is called a directrix. In the present research paper, [...] Read more.
Ruled surfaces are considered one of the significant aspects of differential geometry. These surfaces are formed by the motion of a straight line called a generator, and every curve that intersects all the generators is called a directrix. In the present research paper, we explore a family of ruled surfaces constructed from circular helices (W-curve) using the Frenet frame in the Euclidean space E3. We derive the explicit formulas for the second mean curvature and second Gaussian curvature. We present some ruled surfaces, and we describe their properties. In addition, we determine the sufficient conditions for these surfaces to be minimal, flat, II-minimal, and II-flat. Also, we obtain sufficient conditions for the base curve for these ruled surfaces to be a geodesic curve, an asymptotic line, and a principal line. Furthermore, we present an application for a ruled surface whose base curve is a circular helix, we compute some quantities for this surface such as the mean curvature and Gaussian curvatures and we plot the ruled surface with its base curve, and at symmetric points and along a symmetry axis. Full article
(This article belongs to the Section Mathematics)
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31 pages, 8616 KiB  
Article
Açaí (Euterpe oleracea Mart.) Seed Oil and Its Nanoemulsion: Chemical Characterisation, Toxicity Evaluation, Antioxidant and Anticancer Activities
by Katia Regina Assunção Borges, Lais Araújo Souza Wolff, Marcos Antonio Custódio Neto da Silva, Allysson Kayron de Carvalho Silva, Carmem Duarte Lima Campos, Franscristhiany Silva Souza, Amanda Mara Teles, André Álvares Marques Vale, Henrique Pascoa, Eliana Martins Lima, Eduardo Martins de Sousa, Ana Clara Silva Nunes, Rui M. Gil da Costa, Ana Isabel Faustino-Rocha, Rafael Cardoso Carvalho and Maria do Desterro Soares Brandão Nascimento
Curr. Issues Mol. Biol. 2024, 46(5), 3763-3793; https://doi.org/10.3390/cimb46050235 - 23 Apr 2024
Abstract
This study explores a nanoemulsion formulated with açaí seed oil, known for its rich fatty acid composition and diverse biological activities. This study aimed to characterise a nanoemulsion formulated with açaí seed oil and explore its cytotoxic effects on HeLa and SiHa cervical [...] Read more.
This study explores a nanoemulsion formulated with açaí seed oil, known for its rich fatty acid composition and diverse biological activities. This study aimed to characterise a nanoemulsion formulated with açaí seed oil and explore its cytotoxic effects on HeLa and SiHa cervical cancer cell lines, alongside assessing its antioxidant and toxicity properties both in vitro and in vivo. Extracted from fruits sourced in Brazil, the oil underwent thorough chemical characterization using gas chromatography–mass spectrometry. The resulting nanoemulsion was prepared and evaluated for stability, particle size, and antioxidant properties. The nanoemulsion exhibited translucency, fluidity, and stability post centrifugation and temperature tests, with a droplet size of 238.37, PDI -9.59, pH 7, and turbidity 0.267. In vitro assessments on cervical cancer cell lines revealed antitumour effects, including inhibition of cell proliferation, migration, and colony formation. Toxicity tests conducted in cell cultures and female Swiss mice demonstrated no adverse effects of both açaí seed oil and nanoemulsion. Overall, açaí seed oil, particularly when formulated into a nanoemulsion, presents potential for cancer treatment due to its bioactive properties and safety profile. Full article
(This article belongs to the Section Molecular Pharmacology)
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27 pages, 7268 KiB  
Article
Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies
by Natalia H. Rogoża, Magdalena A. Krupa, Pawel Krupa and Adam K. Sieradzan
Molecules 2024, 29(9), 1919; https://doi.org/10.3390/molecules29091919 (registering DOI) - 23 Apr 2024
Abstract
Fullerenes, particularly C60, exhibit unique properties that make them promising candidates for various applications, including drug delivery and nanomedicine. However, their interactions with biomolecules, especially proteins, remain not fully understood. This study implements both explicit and implicit C60 models into [...] Read more.
Fullerenes, particularly C60, exhibit unique properties that make them promising candidates for various applications, including drug delivery and nanomedicine. However, their interactions with biomolecules, especially proteins, remain not fully understood. This study implements both explicit and implicit C60 models into the UNRES coarse-grained force field, enabling the investigation of fullerene–protein interactions without the need for restraints to stabilize protein structures. The UNRES force field offers computational efficiency, allowing for longer timescale simulations while maintaining accuracy. Five model proteins were studied: FK506 binding protein, HIV-1 protease, intestinal fatty acid binding protein, PCB-binding protein, and hen egg-white lysozyme. Molecular dynamics simulations were performed with and without C60 to assess protein stability and investigate the impact of fullerene interactions. Analysis of contact probabilities reveals distinct interaction patterns for each protein. FK506 binding protein (1FKF) shows specific binding sites, while intestinal fatty acid binding protein (1ICN) and uteroglobin (1UTR) exhibit more generalized interactions. The explicit C60 model shows good agreement with all-atom simulations in predicting protein flexibility, the position of C60 in the binding pocket, and the estimation of effective binding energies. The integration of explicit and implicit C60 models into the UNRES force field, coupled with recent advances in coarse-grained modeling and multiscale approaches, provides a powerful framework for investigating protein–nanoparticle interactions at biologically relevant scales without the need to use restraints stabilizing the protein, thus allowing for large conformational changes to occur. These computational tools, in synergy with experimental techniques, can aid in understanding the mechanisms and consequences of nanoparticle–biomolecule interactions, guiding the design of nanomaterials for biomedical applications. Full article
(This article belongs to the Special Issue Molecular Modeling: Advancements and Applications II)
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17 pages, 3326 KiB  
Article
Integrative Magnetic Resonance Imaging and Metabolomic Characterization of a Glioblastoma Rat Model
by Nuria Arias-Ramos, Cecilia Vieira, Rocío Pérez-Carro and Pilar López-Larrubia
Brain Sci. 2024, 14(5), 409; https://doi.org/10.3390/brainsci14050409 - 23 Apr 2024
Abstract
Glioblastoma (GBM) stands as the most prevalent and lethal malignant brain tumor, characterized by its highly infiltrative nature. This study aimed to identify additional MRI and metabolomic biomarkers of GBM and its impact on healthy tissue using an advanced-stage C6 glioma rat model. [...] Read more.
Glioblastoma (GBM) stands as the most prevalent and lethal malignant brain tumor, characterized by its highly infiltrative nature. This study aimed to identify additional MRI and metabolomic biomarkers of GBM and its impact on healthy tissue using an advanced-stage C6 glioma rat model. Wistar rats underwent a stereotactic injection of C6 cells (GBM group, n = 10) or cell medium (sham group, n = 4). A multiparametric MRI, including anatomical T2W and T1W images, relaxometry maps (T2, T2*, and T1), the magnetization transfer ratio (MTR), and diffusion tensor imaging (DTI), was performed. Additionally, ex vivo magnetic resonance spectroscopy (MRS) HRMAS spectra were acquired. The MRI analysis revealed significant differences in the T2 maps, T1 maps, MTR, and mean diffusivity parameters between the GBM tumor and the rest of the studied regions, which were the contralateral areas of the GBM rats and both regions of the sham rats (the ipsilateral and contralateral). The ex vivo spectra revealed markers of neuronal loss, apoptosis, and higher glucose uptake by the tumor. Notably, the myo-inositol and phosphocholine levels were elevated in both the tumor and the contralateral regions of the GBM rats compared to the sham rats, suggesting the effects of the tumor on the healthy tissue. The MRI parameters related to inflammation, cellularity, and tissue integrity, along with MRS-detected metabolites, serve as potential biomarkers for the tumor evolution, treatment response, and impact on healthy tissue. These techniques can be potent tools for evaluating new drugs and treatment targets. Full article
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22 pages, 6526 KiB  
Article
Optimizing Image Enhancement: Feature Engineering for Improved Classification in AI-Assisted Artificial Retinas
by Asif Mehmood, Jungbeom Ko, Hyunchul Kim and Jungsuk Kim
Sensors 2024, 24(9), 2678; https://doi.org/10.3390/s24092678 - 23 Apr 2024
Abstract
Artificial retinas have revolutionized the lives of many blind people by enabling their ability to perceive vision via an implanted chip. Despite significant advancements, there are some limitations that cannot be ignored. Presenting all objects captured in a scene makes their identification difficult. [...] Read more.
Artificial retinas have revolutionized the lives of many blind people by enabling their ability to perceive vision via an implanted chip. Despite significant advancements, there are some limitations that cannot be ignored. Presenting all objects captured in a scene makes their identification difficult. Addressing this limitation is necessary because the artificial retina can utilize a very limited number of pixels to represent vision information. This problem in a multi-object scenario can be mitigated by enhancing images such that only the major objects are considered to be shown in vision. Although simple techniques like edge detection are used, they fall short in representing identifiable objects in complex scenarios, suggesting the idea of integrating primary object edges. To support this idea, the proposed classification model aims at identifying the primary objects based on a suggested set of selective features. The proposed classification model can then be equipped into the artificial retina system for filtering multiple primary objects to enhance vision. The suitability of handling multi-objects enables the system to cope with real-world complex scenarios. The proposed classification model is based on a multi-label deep neural network, specifically designed to leverage from the selective feature set. Initially, the enhanced images proposed in this research are compared with the ones that utilize an edge detection technique for single, dual, and multi-object images. These enhancements are also verified through an intensity profile analysis. Subsequently, the proposed classification model’s performance is evaluated to show the significance of utilizing the suggested features. This includes evaluating the model’s ability to correctly classify the top five, four, three, two, and one object(s), with respective accuracies of up to 84.8%, 85.2%, 86.8%, 91.8%, and 96.4%. Several comparisons such as training/validation loss and accuracies, precision, recall, specificity, and area under a curve indicate reliable results. Based on the overall evaluation of this study, it is concluded that using the suggested set of selective features not only improves the classification model’s performance, but aligns with the specific problem to address the challenge of correctly identifying objects in multi-object scenarios. Therefore, the proposed classification model designed on the basis of selective features is considered to be a very useful tool in supporting the idea of optimizing image enhancement. Full article
(This article belongs to the Special Issue Engineering Applications of Artificial Intelligence for Sensors)
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14 pages, 321 KiB  
Article
Music Therapy Assessment for Older Adults: Descriptive Mixed-Methods Study
by Amy Clements-Cortés
Behav. Sci. 2024, 14(5), 354; https://doi.org/10.3390/bs14050354 (registering DOI) - 23 Apr 2024
Abstract
Background: The purpose of this inquiry was to test the new ‘Music Therapy Assessment for Older Adults’ (MTAOA) tool in Canada and the United States, and to establish its content and predictive utility. Methods: A pilot study using an explanatory descriptive methods design [...] Read more.
Background: The purpose of this inquiry was to test the new ‘Music Therapy Assessment for Older Adults’ (MTAOA) tool in Canada and the United States, and to establish its content and predictive utility. Methods: A pilot study using an explanatory descriptive methods design was chosen; n = 18 music therapists completed an online survey about their experiences in administering the assessment and 50% (n = 9) were invited for a follow-up interview. Results: The results indicated that the MTAOA was a beneficial assessment tool that contained relevant domains (89%) to develop a music therapy treatment plan; 89% of music therapists also noted they would continue to use and recommend the MTAOA. The data produced beneficial information that were used to revise the assessment form to ensure inclusive language and reduce any potential inherent or unconscious biases. Conclusions: Future research is needed to assess the utility of the revised MTAOA in other global regions where music therapists work with older adults. Full article
(This article belongs to the Special Issue Innovations in Music Based Interventions for Psychological Wellbeing)
19 pages, 7216 KiB  
Article
In Silico Design of Potential Small-Molecule Antibiotic Adjuvants against Salmonella typhimurium Ortho Acetyl Sulphydrylase Synthase to Address Antimicrobial Resistance
by Oluwadunni F. Elebiju, Gbolahan O. Oduselu, Temitope A. Ogunnupebi, Olayinka O. Ajani and Ezekiel Adebiyi
Pharmaceuticals 2024, 17(5), 543; https://doi.org/10.3390/ph17050543 - 23 Apr 2024
Abstract
The inhibition of O-acetyl sulphydrylase synthase isoforms has been reported to represent a promising approach for the development of antibiotic adjuvants. This occurs via the organism developing an unpaired oxidative stress response, causing a reduction in antibiotic resistance in vegetative and swarm [...] Read more.
The inhibition of O-acetyl sulphydrylase synthase isoforms has been reported to represent a promising approach for the development of antibiotic adjuvants. This occurs via the organism developing an unpaired oxidative stress response, causing a reduction in antibiotic resistance in vegetative and swarm cell populations. This consequently increases the effectiveness of conventional antibiotics at lower doses. This study aimed to predict potential inhibitors of Salmonella typhimurium ortho acetyl sulphydrylase synthase (StOASS), which has lower binding energy than the cocrystalized ligand pyridoxal 5 phosphate (PLP), using a computer-aided drug design approach including pharmacophore modeling, virtual screening, and in silico ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) evaluation. The screening and molecular docking of 4254 compounds obtained from the PubChem database were carried out using AutoDock vina, while a post-screening analysis was carried out using Discovery Studio. The best three hits were compounds with the PubChem IDs 118614633, 135715279, and 155773276, possessing binding affinities of −9.1, −8.9, and −8.8 kcal/mol, respectively. The in silico ADMET prediction showed that the pharmacokinetic properties of the best hits were relatively good. The optimization of the best three hits via scaffold hopping gave rise to 187 compounds, and they were docked against StOASS; this revealed that lead compound 1 had the lowest binding energy (−9.3 kcal/mol) and performed better than its parent compound 155773276. Lead compound 1, with the best binding affinity, has a hydroxyl group in its structure and a change in the core heterocycle of its parent compound to benzimidazole, and pyrimidine introduces a synergistic effect and consequently increases the binding energy. The stability of the best hit and optimized compound at the StOASS active site was determined using RMSD, RMSF, radius of gyration, and SASA plots generated from a molecular dynamics simulation. The MD simulation results were also used to monitor how the introduction of new functional groups of optimized compounds contributes to the stability of ligands at the target active site. The improved binding affinity of these compounds compared to PLP and their toxicity profile, which is predicted to be mild, highlights them as good inhibitors of StOASS, and hence, possible antimicrobial adjuvants. Full article
(This article belongs to the Special Issue New Perspectives on Chemoinformatics and Drug Design)
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17 pages, 5113 KiB  
Article
The Impact of Normobaric Hypoxia and Intermittent Hypoxic Training on Cardiac Biomarkers in Endurance Athletes: A Pilot Study
by Jakub Goliniewski, Miłosz Czuba, Kamila Płoszczyca, Małgorzata Chalimoniuk, Robert Gajda, Adam Niemaszyk, Katarzyna Kaczmarczyk and Józef Langfort
Int. J. Mol. Sci. 2024, 25(9), 4584; https://doi.org/10.3390/ijms25094584 - 23 Apr 2024
Abstract
This study explores the effects of normobaric hypoxia and intermittent hypoxic training (IHT) on the physiological condition of the cardiac muscle in swimmers. Hypoxia has been reported to elicit both beneficial and adverse changes in the cardiovascular system, but its impact on the [...] Read more.
This study explores the effects of normobaric hypoxia and intermittent hypoxic training (IHT) on the physiological condition of the cardiac muscle in swimmers. Hypoxia has been reported to elicit both beneficial and adverse changes in the cardiovascular system, but its impact on the myocardium during acute exercise and altitude/hypoxic training remains less understood. We aimed to determine how a single bout of intense interval exercise and a four-week period of high-intensity endurance training under normobaric hypoxia affect cardiac marker activity in swimmers. Sixteen young male swimmers were divided into two groups: one undergoing training in hypoxia and the other in normoxia. Cardiac markers, including troponin I and T (cTnI and cTnT), heart-type fatty acid-binding protein (H-FABP), creatine kinase-MB isoenzyme (CK-MB), and myoglobin (Mb), were analyzed to assess the myocardium’s response. We found no significant differences in the physiological response of the cardiac muscle to intense physical exertion between hypoxia and normoxia. Four weeks of IHT did not alter the resting levels of cTnT, cTnI, and H-FABP, but it resulted in a noteworthy decrease in the resting concentration of CK-MB, suggesting enhanced cardiac muscle adaptation to exercise. In contrast, a reduction in resting Mb levels was observed in the control group training in normoxia. These findings suggest that IHT at moderate altitudes does not adversely affect cardiac muscle condition and may support cardiac muscle adaptation, affirming the safety and efficacy of IHT as a training method for athletes. Full article
(This article belongs to the Section Molecular Pathology, Diagnostics, and Therapeutics)
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19 pages, 8637 KiB  
Article
Pharmacodynamic and Toxicity Studies of 6-Isopropyldithio-2′-guanosine Analogs in Acute T-Lymphoblastic Leukemia
by Tiantian Song, Zheming Yu, Qitao Shen, Yu Xu, Haihong Hu, Junqing Liu, Kui Zeng, Jinxiu Lei and Lushan Yu
Cancers 2024, 16(9), 1614; https://doi.org/10.3390/cancers16091614 (registering DOI) - 23 Apr 2024
Abstract
(1) Background: The research group has developed a new small molecule, 6-Isopropyldithio-2′-deoxyguanosine analogs-YLS004, which has been shown to be the most sensitive in acute T-lymphoblastic leukemia cells. Moreover, it was found that the structure of Nelarabine, a drug used to treat acute T-lymphoblastic [...] Read more.
(1) Background: The research group has developed a new small molecule, 6-Isopropyldithio-2′-deoxyguanosine analogs-YLS004, which has been shown to be the most sensitive in acute T-lymphoblastic leukemia cells. Moreover, it was found that the structure of Nelarabine, a drug used to treat acute T-lymphoblastic leukemia, is highly similar to that of YLS004. Consequently, the structure of YLS004 was altered to produce a new small molecule inhibitor for this study, named YLS010. (2) Results: YLS010 has exhibited potent anti-tumor effects by inducing cell apoptosis and ferroptosis. A dose gradient was designed for in vivo experiments based on tentative estimates of the toxicity dose using acute toxicity in mice and long-term toxicity in rats. The study found that YLS010 at a dose of 8 mg/kg prolonged the survival of late-stage acute T-lymphoblastic leukemia mice in the mouse model study. (3) Conclusions: YLS010 has demonstrated specific killing effects against acute T-lymphoblastic leukemia both in vivo and in vitro. Preclinical studies of YLS010 offer a new opportunity for the treatment of patients with acute T-lymphoblastic leukemia in clinical settings. Full article
(This article belongs to the Section Cancer Drug Development)
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12 pages, 2845 KiB  
Article
Evaporation-Driven Energy Generation Using an Electrospun Polyacrylonitrile Nanofiber Mat with Different Support Substrates
by Yongbum Kwon, Dai Bui-Vinh, Seung-Hwan Lee, So Hyun Baek, Songhui Lee, Jeungjai Yun, Minwoo Baek, Hyun-Woo Lee, Jaebeom Park, Miri Kim, Minsang Yoo, Bum Sung Kim, Yoseb Song, Handol Lee, Do-Hyun Lee and Da-Woon Jeong
Polymers 2024, 16(9), 1180; https://doi.org/10.3390/polym16091180 (registering DOI) - 23 Apr 2024
Abstract
Water evaporation-driven energy harvesting is an emerging mechanism for contributing to green energy production with low cost. Herein, we developed polyacrylonitrile (PAN) nanofiber-based evaporation-driven electricity generators (PEEGs) to confirm the feasibility of utilizing electrospun PAN nanofiber mats in an evaporation-driven energy harvesting system. [...] Read more.
Water evaporation-driven energy harvesting is an emerging mechanism for contributing to green energy production with low cost. Herein, we developed polyacrylonitrile (PAN) nanofiber-based evaporation-driven electricity generators (PEEGs) to confirm the feasibility of utilizing electrospun PAN nanofiber mats in an evaporation-driven energy harvesting system. However, PAN nanofiber mats require a support substrate to enhance its durability and stability when it is applied to an evaporation-driven energy generator, which could have additional effects on generation performance. Accordingly, various support substrates, including fiberglass, copper, stainless mesh, and fabric screen, were applied to PEEGs and examined to understand their potential impacts on electrical generation outputs. As a result, the PAN nanofiber mats were successfully converted to a hydrophilic material for an evaporation-driven generator by dip-coating them in nanocarbon black (NCB) solution. Furthermore, specific electrokinetic performance trends were investigated and the peak electricity outputs of Voc were recorded to be 150.8, 6.5, 2.4, and 215.9 mV, and Isc outputs were recorded to be 143.8, 60.5, 103.8, and 121.4 μA, from PEEGs with fiberglass, copper, stainless mesh, and fabric screen substrates, respectively. Therefore, the implications of this study would provide further perspectives on the developing evaporation-induced electricity devices based on nanofiber materials. Full article
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26 pages, 8162 KiB  
Article
Starch-Based Polysaccharide Systems with Bioactive Substances: Physicochemical and Wettability Characteristics
by Agnieszka Ewa Wiącek and Anna Furmaniuk
Int. J. Mol. Sci. 2024, 25(9), 4590; https://doi.org/10.3390/ijms25094590 - 23 Apr 2024
Abstract
Polysaccharide-based systems have very good emulsifying and stabilizing properties, and starch plays a leading role. Their modifications should add new quality features to the product to such an extent that preserves the structure-forming properties of native starch. The aim of this manuscript was [...] Read more.
Polysaccharide-based systems have very good emulsifying and stabilizing properties, and starch plays a leading role. Their modifications should add new quality features to the product to such an extent that preserves the structure-forming properties of native starch. The aim of this manuscript was to examine the physicochemical characteristics of the combinations of starch with phospholipids or lysozymes and determine the effect of starch modification (surface hydrophobization or biological additives) and preparation temperature (before and after gelatinization). Changes in electrokinetic potential (zeta), effective diameter, and size distribution as a function of time were analyzed using the dynamic light scattering and microelectrophoresis techniques. The wettability of starch-coated glass plates before and after modification was checked by the advancing and receding contact angle measurements, as well as the angle hysteresis, using the settle drop method as a complement to profilometry and FTIR. It can be generalized that starch dispersions are more stable than analogous n-alkane/starch emulsions at room and physiological temperatures. On the other hand, the contact angle hysteresis values usually decrease with temperature increase, pointing to a more homogeneous surface, and the hydrophobization effect decreases vs. the thickness of the substrate. Surface hydrophobization of starch carried out using an n-alkane film does not change its bulk properties and leads to improvement of its mechanical and functional properties. The obtained specific starch-based hybrid systems, characterized in detail by switchable wettability, give the possibility to determine the energetic state of the starch surface and understand the strength and specificity of interactions with substances of different polarities in biological processes and their applicability for multidirectional use. Full article
(This article belongs to the Special Issue New Perspectives of Colloids for Biological Applications)
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