The 2023 MDPI Annual Report has
been released!
 
21 pages, 836 KiB  
Review
Gynecological Cancer and Venous Thromboembolism: A Narrative Review to Increase Awareness and Improve Risk Assessment and Prevention
by Anna Falanga, Domenica Lorusso, Nicoletta Colombo, Gennaro Cormio, Benilde Cosmi, Giuseppa Scandurra, Vanna Zanagnolo and Marco Marietta
Cancers 2024, 16(9), 1769; https://doi.org/10.3390/cancers16091769 - 03 May 2024
Abstract
The prevention and appropriate management of venous thromboembolism in cancer patients is of paramount importance. However, the literature data report an underestimation of this major problem in patients with gynecological cancers, with an inconsistent venous thromboembolism risk assessment and prophylaxis in this patient [...] Read more.
The prevention and appropriate management of venous thromboembolism in cancer patients is of paramount importance. However, the literature data report an underestimation of this major problem in patients with gynecological cancers, with an inconsistent venous thromboembolism risk assessment and prophylaxis in this patient setting. This narrative review provides a comprehensive overview of the available evidence regarding the management of venous thromboembolism in cancer patients, focusing on the specific context of gynecological tumors, exploring the literature discussing risk factors, risk assessment, and pharmacological prophylaxis. We found that the current understanding and management of venous thromboembolism in gynecological malignancy is largely based on studies on solid cancers in general. Hence, further, larger, and well-designed research in this area is needed. Full article
(This article belongs to the Section Cancer Epidemiology and Prevention)
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12 pages, 4992 KiB  
Article
Antimicrobial Properties of Carboxymethyl Cellulose/Starch/N’N Methylenebisacrylamide Membranes Endowed by Ultrasound and Their Potential Application in Antimicrobial Packaging
by Youliang Cheng, Xinyi Cheng, Changqing Fang, Jing Chen, Xin Zhang, Changxue Cao and Jinpeng Wang
Polymers 2024, 16(9), 1282; https://doi.org/10.3390/polym16091282 (registering DOI) - 03 May 2024
Abstract
Cellulose is used widely in antimicrobial packaging due to its abundance in nature, biodegradability, renewability, non-toxicity, and low cost. However, how efficiently and rapidly it imparts high antimicrobial activity to cellulose-based packaging materials remains a challenge. In this work, Ag NPs were deposited [...] Read more.
Cellulose is used widely in antimicrobial packaging due to its abundance in nature, biodegradability, renewability, non-toxicity, and low cost. However, how efficiently and rapidly it imparts high antimicrobial activity to cellulose-based packaging materials remains a challenge. In this work, Ag NPs were deposited on the surface of carboxymethyl cellulose/starch/N’N Methylenebisacrylamide film using ultrasonic radiation. Morphology and structure analysis of as-prepared films were conducted, and the antibacterial effects under different ultrasonic times and reductant contents were investigated. These results showed that Ag NPs were distributed uniformly on the film surface under an ultrasonic time of 45 min. The size of Ag NPs changes as the reducing agent content decreases. The composite film demonstrated a slightly better antibacterial effect against E. coli than against S. aureus. Therefore, this work can provide valuable insights for the research on antimicrobial packaging. Full article
(This article belongs to the Special Issue Advanced Cellulose Polymers and Derivatives)
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23 pages, 9379 KiB  
Article
Comparison of Feature Selection Methods—Modelling COPD Outcomes
by Jorge Cabral, Pedro Macedo, Alda Marques and Vera Afreixo
Mathematics 2024, 12(9), 1398; https://doi.org/10.3390/math12091398 (registering DOI) - 03 May 2024
Abstract
Selecting features associated with patient-centered outcomes is of major relevance yet the importance given depends on the method. We aimed to compare stepwise selection, least absolute shrinkage and selection operator, random forest, Boruta, extreme gradient boosting and generalized maximum entropy estimation and suggest [...] Read more.
Selecting features associated with patient-centered outcomes is of major relevance yet the importance given depends on the method. We aimed to compare stepwise selection, least absolute shrinkage and selection operator, random forest, Boruta, extreme gradient boosting and generalized maximum entropy estimation and suggest an aggregated evaluation. We also aimed to describe outcomes in people with chronic obstructive pulmonary disease (COPD). Data from 42 patients were collected at baseline and at 5 months. Acute exacerbations were the aggregated most important feature in predicting the difference in the handgrip muscle strength (dHMS) and the COVID-19 lockdown group had an increased dHMS of 3.08 kg (CI95 ≈ [0.04, 6.11]). Pack-years achieved the highest importance in predicting the difference in the one-minute sit-to-stand test and no clinical change during lockdown was detected. Charlson comorbidity index was the most important feature in predicting the difference in the COPD assessment test (dCAT) and participants with severe values are expected to have a decreased dCAT of 6.51 points (CI95 ≈ [2.52, 10.50]). Feature selection methods yield inconsistent results, particularly extreme gradient boosting and random forest with the remaining. Models with features ordered by median importance had a meaningful clinical interpretation. Lockdown seem to have had a negative impact in the upper-limb muscle strength. Full article
(This article belongs to the Special Issue Current Research in Biostatistics)
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36 pages, 621 KiB  
Review
Outcomes and Characteristics of Interdisciplinary Self-Management Interventions for Older Adults Living with Chronic Pain: Insights from a Scoping Review
by Samuel Turcotte, Marie-Ève Lapointe, Carolann Shea, Jacqueline Rousseau, Julie Masse, Johanne Higgins, Pierre Rainville, David Lussier, François Dubé, Catherine Genest, Kami Sarimanukoglu, Lucile Agarrat, Maria Varganici and Johanne Filiatrault
J. Ageing Longev. 2024, 4(2), 83-118; https://doi.org/10.3390/jal4020007 (registering DOI) - 03 May 2024
Abstract
Introduction: Up to 50% of community-dwelling older adults report living with some chronic pain that interferes with their daily functioning and leads to disabilities. Hence, it is crucial to provide these individuals with strategies to effectively manage pain. An interdisciplinary approach is warranted [...] Read more.
Introduction: Up to 50% of community-dwelling older adults report living with some chronic pain that interferes with their daily functioning and leads to disabilities. Hence, it is crucial to provide these individuals with strategies to effectively manage pain. An interdisciplinary approach is warranted considering the numerous factors contributing to pain among older adults. Although several studies have been conducted on various interdisciplinary pain self-management programs, little effort has been made to synthesize knowledge about such programs for older adults. Objective: The objective of this review was to synthesize the characteristics and effects of interdisciplinary chronic pain self-management interventions targeting community-dwelling older adults. Methods: A scoping review was conducted following the steps recommended by Arksey and O’Malley (2005) and Levac et al. (2010). Keyword searches were performed in MEDLINE, CINAHL, EMBASE, and the Cochrane Library. Results: Sixty-six articles were included. Most interventions were based on a cognitive-behavioral group approach and used a combination of modalities, including education and training on the use of self-management strategies. The professionals most frequently involved in group interventions were psychologists, physiotherapists, and occupational therapists. Several benefits of these programs have been reported concerning pain intensity, independence in daily functioning, mental health, and quality of life. Conclusions: Interdisciplinary chronic pain self-management programs appear promising in guiding clinical and rehabilitation interventions for older adults living with chronic pain. Full article
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29 pages, 3585 KiB  
Article
Combined Optimisation of Traffic Light Control Parameters and Autonomous Vehicle Routes
by Mariano Gallo
Smart Cities 2024, 7(3), 1060-1088; https://doi.org/10.3390/smartcities7030045 (registering DOI) - 03 May 2024
Abstract
In the near future, fully autonomous vehicles may revolutionise mobility and contribute to the development of the smart city concept. In this work, we assume that vehicles are not only fully autonomous but also centrally controlled by a single operator, who can also [...] Read more.
In the near future, fully autonomous vehicles may revolutionise mobility and contribute to the development of the smart city concept. In this work, we assume that vehicles are not only fully autonomous but also centrally controlled by a single operator, who can also define the traffic light control parameters at intersections. With the aim of optimising the system to achieve a global optimum, the operator can define both the routes of the fleet of vehicles and the traffic light control parameters. This paper proposes a model for the joint optimisation of traffic light control parameters and autonomous vehicle routes to achieve the system optimum. The model, which is solved using a gradient algorithm, is tested on networks of different sizes. The results obtained show the validity of the proposed approach and the advantages of centralised management of vehicles and intersection control parameters. Full article
(This article belongs to the Section Smart Transportation)
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19 pages, 3995 KiB  
Article
Microbial Polysaccharides Extracted from Different Mature Muds of the Euganean Thermal District Show Similar Anti-Inflammatory Activity In Vivo
by Micol Caichiolo, Raffaella Margherita Zampieri, Alessandra Adessi, Matilde Ciani, Fabrizio Caldara, Luisa Dalla Valle and Nicoletta La Rocca
Int. J. Mol. Sci. 2024, 25(9), 4999; https://doi.org/10.3390/ijms25094999 (registering DOI) - 03 May 2024
Abstract
The Euganean Thermal District, situated in North-East Italy, is one of Europe’s largest and oldest thermal centres. The topical application of its therapeutic thermal muds is recognised by the Italian Health System as a beneficial treatment for patients suffering from arthro-rheumatic diseases. Polysaccharides [...] Read more.
The Euganean Thermal District, situated in North-East Italy, is one of Europe’s largest and oldest thermal centres. The topical application of its therapeutic thermal muds is recognised by the Italian Health System as a beneficial treatment for patients suffering from arthro-rheumatic diseases. Polysaccharides produced by the mud microbiota have been recently identified as anti-inflammatory bioactive molecules. In this paper we analysed the efficacy of Microbial-Polysaccharides (M-PS) derived from mature muds obtained at different maturation temperatures, both within and outside the codified traditional mud maturation range. M-PSs were extracted from six mature muds produced by five spas of the Euganean Thermal District and investigated for their chemical properties, monosaccharide composition and in vivo anti-inflammatory potential, using the zebrafish model organism. Additionally, mature muds were characterized for their microbiota composition using Next-Generation Sequencing. The results showed that all M-PSs exhibit similar anti-inflammatory potential, referable to their comparable chemical composition. This consistency was observed despite changes in cyanobacteria populations, suggesting a possible role of the entire microbial community in shaping the properties of these biomolecules. These findings highlight the importance of scientific research in untangling the origins of the therapeutic efficacy of Euganean Thermal muds in the treatment of chronic inflammatory conditions. Full article
(This article belongs to the Special Issue Investigation of Natural Products as Sources of Bioactive Molecules)
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15 pages, 5961 KiB  
Article
Effect of Surgeon Volume on Mechanical Complications after Resection Arthroplasty with Articulating Spacer
by Chih-Yuan Ko, Chun-Hao Tsai, Yi-Chin Fong, Hui-Yi Chen, Hsien-Te Chen and Tsung-Li Lin
J. Pers. Med. 2024, 14(5), 490; https://doi.org/10.3390/jpm14050490 (registering DOI) - 03 May 2024
Abstract
Two-stage revision with an antibiotic-loaded cement articulating spacer is a standard treatment for chronic prosthetic knee infection (PKI); however, mechanical complications can occur during the spacer period. There is limited evidence on the association between surgeon volume and mechanical complications after resection arthroplasty [...] Read more.
Two-stage revision with an antibiotic-loaded cement articulating spacer is a standard treatment for chronic prosthetic knee infection (PKI); however, mechanical complications can occur during the spacer period. There is limited evidence on the association between surgeon volume and mechanical complications after resection arthroplasty (RA) using an articulating spacer. This study aimed to compare the rates of mechanical complications and reoperation after RA with articulating spacers by surgeons with high volumes (HV) and low volumes (LV) of RA performed and analyzed the risk factors for mechanical failure. The retrospective study investigated 203 patients treated with PKIs who underwent RA with articulating spacers and were divided according to the number of RAs performed by the surgeons: HV (≥14 RAs/year) or LV (<14 RAs/year). Rates of mechanical complications and reoperations were compared. Risk factors for mechanical complications were analyzed. Of the 203 patients, 105 and 98 were treated by two HV and six LV surgeons, respectively. The mechanical complication rate was lower in HV surgeons (3.8%) than in LV surgeons (36.7%) (p < 0.001). The reoperation rate for mechanical complications was lower in HV surgeons (0.9%) than in LV surgeons (24.5%) (p < 0.001). Additionally, 47.2% of patients required hinge knees after mechanical spacer failure. Medial proximal tibial angle < 87°, recurvatum angle > 5°, and the use of a tibial spacer without a cement stem extension were risk factors for mechanical complications. Based on these findings, we made the following three conclusions: (1) HV surgeons had a lower rate of mechanical complications and reoperation than LV surgeons; (2) mechanical complications increased the level of constraint in final revision knee arthroplasty; and (3) all surgeons should avoid tibial spacer varus malalignment and recurvatum deformity and always use a cement stem extension with a tibial spacer. Full article
(This article belongs to the Special Issue Personalized Management in Orthopedics and Traumatology)
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15 pages, 2794 KiB  
Article
The Impact of Water as an Additive on the Elution of Some Basic Organic Compounds in Supercritical Fluid Chromatography
by Muhamad Yahia Kazmouz and Attila Felinger
Molecules 2024, 29(9), 2124; https://doi.org/10.3390/molecules29092124 (registering DOI) - 03 May 2024
Abstract
In this study, water was used as an additive in the methanol-modified carbon dioxide-based eluent for the elution of some basic organic compounds from a hybrid silica column via supercritical fluid chromatography (SFC). The experiments were applied to sulfonamides, propranolol, and other organic [...] Read more.
In this study, water was used as an additive in the methanol-modified carbon dioxide-based eluent for the elution of some basic organic compounds from a hybrid silica column via supercritical fluid chromatography (SFC). The experiments were applied to sulfonamides, propranolol, and other organic nitrogen compounds involving aromatic rings from different classes of amine, pyrimidine, and purine with different pKa values (the pKa values for the studied analytes range from 4.6 to 10.4). The results revealed different responses to the different percentages of water addition. Adding 1~2% of water to the modifier (methanol) led to a positive effect manifested by more symmetrical peak shapes and reduced retention times for most compounds. The key factor for this improvement in the properties of chromatographic peaks is due to the adsorption of water on the silanol groups of the stationary phase, consequently resembling the phenomena observed in hydrophilic interaction liquid chromatography (HILIC). Moreover, the availability of hydrogen bond acceptor and donor sites in the analyte structure is an important factor to be considered when adding water as an additive to the modifier for improving the chromatographic peaks. However, introducing water in an amount higher than 3% resulted in perturbed chromatographic signals. It was also found that water as an additive alone could not successfully elute propranolol from the hybrid silica column with an acceptable peak shape; thus, the addition of a strong base such as amine salts was also necessary. The proposed use of a particular amount of water in the mobile phase could have a positive effect compared to the same mobile phase without water, improving the chromatographic peak properties of the elution of some basic organic compounds from the hybrid silica column. Full article
(This article belongs to the Special Issue Chromatography and Extraction Techniques for Chemical Applications)
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22 pages, 1255 KiB  
Review
Marine Compounds and Age-Related Diseases: The Path from Pre-Clinical Research to Approved Drugs for the Treatment of Cardiovascular Diseases and Diabetes
by Maria Elisa Giuliani, Giorgia Bigossi, Giovanni Lai, Serena Marcozzi, Dario Brunetti and Marco Malavolta
Mar. Drugs 2024, 22(5), 210; https://doi.org/10.3390/md22050210 (registering DOI) - 03 May 2024
Abstract
Ageing represents a main risk factor for several pathologies. Among them, cardiovascular diseases (CVD) and type 2 diabetes mellitus (T2DM) are predominant in the elderly population and often require prolonged use of multiple drugs due to their chronic nature and the high proportion [...] Read more.
Ageing represents a main risk factor for several pathologies. Among them, cardiovascular diseases (CVD) and type 2 diabetes mellitus (T2DM) are predominant in the elderly population and often require prolonged use of multiple drugs due to their chronic nature and the high proportion of co-morbidities. Hence, research is constantly looking for novel, effective molecules to treat CVD and T2DM with minimal side effects. Marine active compounds, holding a great diversity of chemical structures and biological properties, represent interesting therapeutic candidates to treat these age-related diseases. This review summarizes the current state of research on marine compounds for the treatment of CVD and T2DM, from pre-clinical studies to clinical investigations and approved drugs, highlighting the potential of marine compounds in the development of new therapies, together with the limitations in translating pre-clinical results into human application. Full article
(This article belongs to the Special Issue Marine Natural Products with Anti-aging Activity)
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9 pages, 230 KiB  
Article
Characterization of Nonlinear Mixed Bi-Skew Lie Triple Derivations on -Algebras*
by Turki Alsuraiheed, Junaid Nisar and Nadeem ur Rehman
Mathematics 2024, 12(9), 1403; https://doi.org/10.3390/math12091403 (registering DOI) - 03 May 2024
Abstract
This paper concentrates on examining the characterization of nonlinear mixed bi-skew Lie triple *- derivations within an *-algebra denoted by A which contains a nontrivial projection with a unit I. Additionally, we expand this investigation to applications by describing these derivations within [...] Read more.
This paper concentrates on examining the characterization of nonlinear mixed bi-skew Lie triple *- derivations within an *-algebra denoted by A which contains a nontrivial projection with a unit I. Additionally, we expand this investigation to applications by describing these derivations within prime *-algebras, von Neumann algebras, and standard operator algebras. Full article
(This article belongs to the Special Issue Algebraic Analysis and Its Applications)
12 pages, 7441 KiB  
Article
Black TiO2 and Oxygen Vacancies: Unraveling the Role in the Thermal Anatase-to-Rutile Transformation
by Mattia Allieta, Mauro Coduri and Alberto Naldoni
Appl. Nano 2024, 5(2), 72-83; https://doi.org/10.3390/applnano5020007 (registering DOI) - 03 May 2024
Abstract
Understanding the role of oxygen vacancies in the phase transformation of metal oxide nanomaterials is fundamental to design more efficient opto-electronic devices for a variety of applications, including sensing, spintronics, photocatalysis, and photo-electrochemistry. However, the structural mechanisms behind the phase transformation in reducible [...] Read more.
Understanding the role of oxygen vacancies in the phase transformation of metal oxide nanomaterials is fundamental to design more efficient opto-electronic devices for a variety of applications, including sensing, spintronics, photocatalysis, and photo-electrochemistry. However, the structural mechanisms behind the phase transformation in reducible oxides remain poorly described. Here, we compare P25 and black TiO2 during the thermal anatase-to-rutile transformation using in situ synchrotron powder diffraction. The precise measurement of the phase fractions, unit cell parameters, and Ti-O bond sheds light on the phase transformation dynamics. Notably, we observe distinct temperature-dependent shifts in the relative phase fractions of anatase and rutile in both materials highlighting the role of the oxygen vacancy in promoting the phase transformation. We employ bond valence concepts for structural modeling, revealing unique trends in temperature evolution of Ti-O distances of black rutile, confirming that this TiO2 phase is preferentially reduced over anatase. These findings not only enhance our understanding of phase transitions in TiO2 but also open new ways for the design of advanced photocatalytic materials through targeted phase control. Full article
(This article belongs to the Collection Feature Papers for Applied Nano)
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20 pages, 6815 KiB  
Article
Tracking Land-use Trajectory and Other Potential Drivers to Uncover the Dynamics of Carbon Stocks of Terrestrial Ecosystem in the Songnen Plain
by Lei Chang, Han Luo, Huijia Liu, Wenxin Xu, Lixin Zhang and Yuefen Li
Land 2024, 13(5), 618; https://doi.org/10.3390/land13050618 (registering DOI) - 03 May 2024
Abstract
Land-use change is an important factor affecting terrestrial carbon balance, and it is crucial to explore the response of terrestrial carbon stocks to land-use change, especially in the Songnen Plain, which faces a fierce conflict between the rapid growth of production activities and [...] Read more.
Land-use change is an important factor affecting terrestrial carbon balance, and it is crucial to explore the response of terrestrial carbon stocks to land-use change, especially in the Songnen Plain, which faces a fierce conflict between the rapid growth of production activities and ecosystem degradation. In this study, we measured soil organic carbon and vegetation biocarbon stocks in the Songnen Plain based on IPCC-recommended methodologies, and explored the characteristics of carbon stock changes in land-use trajectories, land-use drivers, and specific land-use change scenarios (cropland cultivation, returning cropland to forests, the expansion of land for construction, deforestation, greening, and land degradation). The results showed that soil organic carbon stock in the Songnen Plain decreased by 1.63 × 105 t, and vegetation biocarbon stock increased by 2.10 × 107 t from 2005 to 2020. Human factors and natural factors jointly contributed to the land-use change, but the extent of the role of human factors was greater than that of natural factors. The increase in land-use trajectory led to the decrease in soil organic carbon stock and the increase in vegetation biocarbon stock. There was no difference in the effects of human-induced and natural-induced land-use changes on vegetation biocarbon stocks, but the effects on soil organic carbon stocks were diametrically opposite, increasing by 43.27 t/km2 and decreasing by 182.02 t/km2, respectively. The reclamation of arable land, returning cropland to forests, and greening led to a net increase in terrestrial carbon stocks (+813,291.84 t), whereas land degradation, deforestation, and land-use expansion led to a decrease in terrestrial carbon stocks (−460,710.2 t). The results of this study can provide a reference for the adjustment of land-use structure and the increase in terrestrial carbon stock in the Songnen Plain. Full article
(This article belongs to the Special Issue Land Use Effects on Carbon Storage and Greenhouse Gas Emissions)
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16 pages, 2485 KiB  
Article
Poor Decision Making and Sociability Impairment Following Central Serotonin Reduction in Inducible TPH2-Knockdown Rats
by Lucille Alonso, Polina Peeva, Tania Fernández-del Valle Alquicira, Narda Erdelyi, Ángel Gil Nolskog, Michael Bader, York Winter, Natalia Alenina and Marion Rivalan
Int. J. Mol. Sci. 2024, 25(9), 5003; https://doi.org/10.3390/ijms25095003 (registering DOI) - 03 May 2024
Abstract
Serotonin is an essential neuromodulator for mental health and animals’ socio-cognitive abilities. However, we previously found that a constitutive depletion of central serotonin did not impair rat cognitive abilities in stand-alone tests. Here, we investigated how a mild and acute decrease in brain [...] Read more.
Serotonin is an essential neuromodulator for mental health and animals’ socio-cognitive abilities. However, we previously found that a constitutive depletion of central serotonin did not impair rat cognitive abilities in stand-alone tests. Here, we investigated how a mild and acute decrease in brain serotonin would affect rats’ cognitive abilities. Using a novel rat model of inducible serotonin depletion via the genetic knockdown of tryptophan hydroxylase 2 (TPH2), we achieved a 20% decrease in serotonin levels in the hypothalamus after three weeks of non-invasive oral doxycycline administration. Decision making, cognitive flexibility, and social recognition memory were tested in low-serotonin (Tph2-kd) and control rats. Our results showed that the Tph2-kd rats were more prone to choose disadvantageously in the long term (poor decision making) in the Rat Gambling Task and that only the low-serotonin poor decision makers were more sensitive to probabilistic discounting and had poorer social recognition memory than other low-serotonin and control individuals. Flexibility was unaffected by the acute brain serotonin reduction. Poor social recognition memory was the most central characteristic of the behavioral network of low-serotonin poor decision makers, suggesting a key role of social recognition in the expression of their profile. The acute decrease in brain serotonin appeared to specifically amplify the cognitive impairments of the subgroup of individuals also identified as poor decision makers in the population. This study highlights the great opportunity the Tph2-kd rat model offers to study inter-individual susceptibilities to develop cognitive impairment following mild variations of brain serotonin in otherwise healthy individuals. These transgenic and differential approaches together could be critical for the identification of translational markers and vulnerabilities in the development of mental disorders. Full article
(This article belongs to the Special Issue Neuromodulatory Effects of Serotonin)
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21 pages, 3385 KiB  
Article
Establishing the Characteristic Compressive Strength Parallel to Fiber of Four Local Philippine Bamboo Species
by Christine A. T. Panti, Christy S. Cañete, Althea R. Navarra, Kerby D. Rubinas, Lessandro E. O. Garciano and Luis F. López
Sustainability 2024, 16(9), 3845; https://doi.org/10.3390/su16093845 (registering DOI) - 03 May 2024
Abstract
Bamboo is considered a sustainable construction material due to its ability to grow quickly and its mechanical properties that are comparable to timber. Contributing to the current effort to establish structural bamboo standards in the National Structural Code of the Philippines (NSCP), this [...] Read more.
Bamboo is considered a sustainable construction material due to its ability to grow quickly and its mechanical properties that are comparable to timber. Contributing to the current effort to establish structural bamboo standards in the National Structural Code of the Philippines (NSCP), this study establishes the characteristic compressive strength of four bamboo species: Bambusa vulgaris (36 samples), Dendrocalamus asper (36 samples), Bambusa blumeana (94 samples), and Guadua angustifolia Kunth (30 samples). The samples were subjected to compressive loading following ISO 22157-1 (2017). The characteristic compressive strength values obtained, according to ISO 12122-1 (2014), were 40.35 MPa for B. vulgaris, 40.21 MPa for D. asper, 46.63 MPa for B. blumeana, and 36.99 MPa for G. angustifolia Kunth. Simple linear analysis, one-way ANOVA, and Welch’s t-test were used to analyze the correlation models and establish a comparative analysis of the effects of nodes and geometric and physical properties on the compressive strength of bamboo samples. In comparisons of the characteristic compressive strengths obtained from this study to the strengths of unseasoned structural timber of Philippine woods, all bamboo species showed higher strength values than did other woods, and bamboos thus have great potential as an alternative construction material to timber. Full article
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17 pages, 1118 KiB  
Article
Structure-Based Design of Novel Thiazolone[3,2-a]pyrimidine Derivatives as Potent RNase H Inhibitors for HIV Therapy
by Xuan-De Zhu, Angela Corona, Stefania Maloccu, Enzo Tramontano, Shuai Wang, Christophe Pannecouque, Erik De Clercq, Ge Meng and Fen-Er Chen
Molecules 2024, 29(9), 2120; https://doi.org/10.3390/molecules29092120 (registering DOI) - 03 May 2024
Abstract
Ribonuclease H (RNase H) was identified as an important target for HIV therapy. Currently, no RNase H inhibitors have reached clinical status. Herein, a series of novel thiazolone[3,2-a]pyrimidine-containing RNase H inhibitors were developed, based on the hit compound 10i, identified [...] Read more.
Ribonuclease H (RNase H) was identified as an important target for HIV therapy. Currently, no RNase H inhibitors have reached clinical status. Herein, a series of novel thiazolone[3,2-a]pyrimidine-containing RNase H inhibitors were developed, based on the hit compound 10i, identified from screening our in-house compound library. Some of these derivatives exhibited low micromolar inhibitory activity. Among them, compound 12b was identified as the most potent inhibitor of RNase H (IC50 = 2.98 μM). The experiment of magnesium ion coordination was performed to verify that this ligand could coordinate with magnesium ions, indicating its binding ability to the catalytic site of RNase H. Docking studies revealed the main interactions of this ligand with RNase H. A quantitative structure activity relationship (QSAR) was also conducted to disclose several predictive mathematic models. A molecular dynamics simulation was also conducted to determine the stability of the complex. Taken together, thiazolone[3,2-a]pyrimidine can be regarded as a potential scaffold for the further development of RNase H inhibitors. Full article
(This article belongs to the Special Issue Synthesis and Evaluation of Bioactivity of Enzyme Inhibitors)
23 pages, 15079 KiB  
Article
Optoelectronic Response to the Fluor Ion Bond on 4-(4,4,5,5-Tetramethyl-1,3,2-dioxoborolan-2-yl)benzaldehyde
by Ulises J. Guevara, Jesús Núñez, Laura M. Pérez, Anton Tiutiunnyk, Neudo Urdaneta, Eduardo Cisternas and David Laroze
Int. J. Mol. Sci. 2024, 25(9), 5000; https://doi.org/10.3390/ijms25095000 (registering DOI) - 03 May 2024
Abstract
Boronate esters are a class of compounds containing a boron atom bonded to two oxygen atoms in an ester group, often being used as precursors in the synthesis of other materials. The characterization of the structure and properties of esters is usually carried [...] Read more.
Boronate esters are a class of compounds containing a boron atom bonded to two oxygen atoms in an ester group, often being used as precursors in the synthesis of other materials. The characterization of the structure and properties of esters is usually carried out by UV-visible, infrared, and nuclear magnetic resonance (NMR) spectroscopic techniques. With the aim to better understand our experimental data, in this article, the density functional theory (DFT) is used to analyze the UV-visible and infrared spectra, as well as the isotropic shielding and chemical shifts of the hydrogen atoms 1H, carbon 13C and boron 11B in the compound 4-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)benzaldehyde. Furthermore, this study considers the change in its electronic and spectroscopic properties of this particular ester, when its boron atom is coordinated with a fluoride anion. The calculations were carried out using the LSDA and B3LYP functionals in Gaussian-16, and PBE in CASTEP. The results show that the B3LYP functional gives the best approximation to the experimental data. The formation of a coordinated covalent B–F bond highlights the remarkable sensitivity of the NMR chemical shifts of carbon, oxygen, and boron atoms and their surroundings. Furthermore, this bond also highlights the changes in the electron transitions bands nπ* and ππ* during the absorption and emission of a photon in the UV-vis, and in the stretching bands of the C=C bonds, and bending of BO2 in the infrared spectrum. This study not only contributes to the understanding of the properties of boronate esters but also provides important information on the interactions and responses optoelectronic of the compound when is bonded to a fluorine atom. Full article
17 pages, 1081 KiB  
Review
The Role of Inflammasome in Abdominal Aortic Aneurysm and Its Potential Drugs
by Suyu Pi, Sizheng Xiong, Yan Yuan and Hongping Deng
Int. J. Mol. Sci. 2024, 25(9), 5001; https://doi.org/10.3390/ijms25095001 (registering DOI) - 03 May 2024
Abstract
Abdominal aortic aneurysm (AAA) has been recognized as a serious chronic inflammatory degenerative aortic disease in recent years. At present, there is no other effective intervention except surgical treatment for AAA. With the aging of the human population, its incidence is increasing year [...] Read more.
Abdominal aortic aneurysm (AAA) has been recognized as a serious chronic inflammatory degenerative aortic disease in recent years. At present, there is no other effective intervention except surgical treatment for AAA. With the aging of the human population, its incidence is increasing year by year, posing a serious threat to human health. Modern studies suggest that vascular chronic inflammatory response is the core process in AAA occurrence and development. Inflammasome, a multiprotein complex located in the cytoplasm, mediates the expression of various inflammatory cytokines like interleukin (IL)-1β and IL-18, and thus plays a pivotal role in inflammation regulation. Therefore, inflammasome may exert a crucial influence on the progression of AAA. This article reviews some mechanism studies to investigate the role of inflammasome in AAA and then summarizes several potential drugs targeting inflammasome for the treatment of AAA, aiming to provide new ideas for the clinical prevention and treatment of AAA beyond surgical methods. Full article
(This article belongs to the Special Issue Cardiovascular Diseases: Molecular Mechanisms and Potential Therapy)
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18 pages, 2079 KiB  
Article
Validating a Non-Invasive Method for Assessing Cortisol Concentrations in Scraped Epidermal Skin from Common Bottlenose Dolphins and Belugas
by Clara Agustí, Xavier Manteca, Daniel García-Párraga and Oriol Tallo-Parra
Animals 2024, 14(9), 1377; https://doi.org/10.3390/ani14091377 (registering DOI) - 03 May 2024
Abstract
Society is showing a growing concern about the welfare of cetaceans in captivity as well as cetaceans in the wild threatened by anthropogenic disturbances. The study of the physiological stress response is increasingly being used to address cetacean conservation and welfare issues. Within [...] Read more.
Society is showing a growing concern about the welfare of cetaceans in captivity as well as cetaceans in the wild threatened by anthropogenic disturbances. The study of the physiological stress response is increasingly being used to address cetacean conservation and welfare issues. Within it, a newly described technique of extracting cortisol from epidermal desquamation may serve as a non-invasive, more integrated measure of a cetacean’s stress response and welfare. However, confounding factors are common when measuring glucocorticoid hormones. In this study, we validated a steroid hormone extraction protocol and the use of a commercial enzyme immunoassay (EIA) test to measure cortisol concentrations in common bottlenose dolphin (Tursiops truncatus) and beluga (Delphinapterus leucas) epidermal samples. Moreover, we examined the effect of sample mass and body location on cortisol concentrations. Validation tests (i.e., assay specificity, accuracy, precision, and sensitivity) suggested that the method was suitable for the quantification of cortisol concentrations. Cortisol was extracted from small samples (0.01 g), but the amount of cortisol detected and the variability between duplicate extractions increased as the sample mass decreased. In common bottlenose dolphins, epidermal skin cortisol concentrations did not vary significantly across body locations while there was a significant effect of the individual. Overall, we present a contribution towards advancing and standardizing epidermis hormone assessments in cetaceans. Full article
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19 pages, 7711 KiB  
Article
High-Temperature and High-Pressure Tribological Properties of Siliconized Graphite for Water-Lubricated Thrust Bearing Application in Main Coolant Pump
by Sihang Liu, Baojun Zhang, Long Cai, Weiguang Wang, Taihe Liang and Mingkai Lei
Lubricants 2024, 12(5), 159; https://doi.org/10.3390/lubricants12050159 (registering DOI) - 03 May 2024
Abstract
The effect of the microstructure of siliconized graphite on tribological properties is investigated by using a high-temperature and high-pressure water-lubricated tribometer on a self-mated ring-on-ring configuration under an applied load of 500–1500 N with a spindle speed of 100–5000 rpm in both 90 [...] Read more.
The effect of the microstructure of siliconized graphite on tribological properties is investigated by using a high-temperature and high-pressure water-lubricated tribometer on a self-mated ring-on-ring configuration under an applied load of 500–1500 N with a spindle speed of 100–5000 rpm in both 90 °C (5 MPa) and 25 °C (1 MPa) water environments, respectively. The Stribeck curves measurement and continuous wear tests are performed and analyzed in both water environments. The wear behaviors of the graphite, SiC, and free-silicon phases in siliconized graphite are demonstrated to explore the wear mechanism. The larger wear depths of a low-worn surface roughness on the three phases contribute to the boundary lubrication. The shallower wear depths are observed on the SiC and Si phases under the mixed lubrication, corresponding to partial contact wear of surface asperities. The wavy surface of the SiC phase and uniform flow-oriented striae of the Si phase are attributed to hydrodynamic lubrication, caused by full water film scouring the worn surface. Finally, an integrated evaluation method of G duty parameters is successfully used to identify the lubrication regimes of siliconized graphite from the boundary, mixed, to hydrodynamic lubrications for a water-lubricated thrust bearing application in the main coolant pump of a nuclear power plant. Full article
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21 pages, 756 KiB  
Article
Regression Modeling of Daily PM2.5 Concentrations with a Multilayer Perceptron
by Szymon Hoffman, Rafał Jasiński and Janusz Baran
Energies 2024, 17(9), 2202; https://doi.org/10.3390/en17092202 (registering DOI) - 03 May 2024
Abstract
Various types of energetic fuel combustion processes emit dangerous pollutants into the air, including aerosol particles, marked as PM10. Routine air quality monitoring includes determining the PM10 concentration as one of the basic measurements. At some air monitoring stations, the [...] Read more.
Various types of energetic fuel combustion processes emit dangerous pollutants into the air, including aerosol particles, marked as PM10. Routine air quality monitoring includes determining the PM10 concentration as one of the basic measurements. At some air monitoring stations, the PM10 measurement is supplemented by the simultaneous determination of the concentration of PM2.5 as a finer fraction of suspended particles. Since the PM2.5 fraction has a significant share in the PM10 fraction, the concentrations of both types of particles should be strongly correlated, and the concentrations of one of these fractions can be used to model the concentrations of the other fraction. The aim of the study was to assess the error of predicting PM2.5 concentration using PM10 concentration as the main predictor. The analyzed daily concentrations were measured at 11 different monitoring stations in Poland and covered the period 2010–2021. MLP (multilayer perceptron) artificial neural networks were used to approximate the daily PM2.5 concentrations. PM10 concentrations and time variables were tested as predictors in neural networks. Several different prediction errors were taken as measures of modeling quality. Depending on the monitoring station, in models with one PM10 predictor, the RMSE error values were in the range of 2.31–6.86 μg/m3. After taking into account the second predictor D (date), the corresponding RMSE errors were lower and were in the range of 2.06–5.54 μg/m3. Our research aimed to find models that were as simple and universal as possible. In our models, the main predictor is the PM10 concentration; therefore, the only condition to be met is monitoring the measurement of PM10 concentrations. We showed that models trained at other air monitoring stations, so-called foreign models, can be successfully used to approximate PM2.5 concentrations at another station. Full article
(This article belongs to the Collection Energy Economics and Policy in Developed Countries)
27 pages, 4740 KiB  
Review
Patent Mining on the Use of Antioxidant Phytochemicals in the Technological Development for the Prevention and Treatment of Periodontitis
by Paulo José Lima Juiz, Luiza Teles Barbalho Ferreira, Edilson Araújo Pires and Cristiane Flora Villarreal
Antioxidants 2024, 13(5), 566; https://doi.org/10.3390/antiox13050566 (registering DOI) - 03 May 2024
Abstract
Periodontal disease is an inflammatory condition characterized by an aberrant immune response against a dysbiotic dental biofilm, with oxidative stress performing an essential role in its pathogenesis. This paper presents a patent mining, performed in the Orbit Intelligence patent database, related to antioxidant [...] Read more.
Periodontal disease is an inflammatory condition characterized by an aberrant immune response against a dysbiotic dental biofilm, with oxidative stress performing an essential role in its pathogenesis. This paper presents a patent mining, performed in the Orbit Intelligence patent database, related to antioxidant phytochemicals in the technological developments that are working to prevent and treat periodontal disease. To access the documents, the descriptors “PERIODONTAL” and “ANTIOXIDANT” were typed in the title, abstract, and claim search fields. A total of 322 patents demonstrate the growing interest in researching natural antioxidants for scientific and technological purposes. The top ten countries regarding the number of family patents produced were the United States, the European Office, Japan, South Korea, China, India, Mexico, Denmark, Canada, and Great Britain. The most cited compounds were vitamin C, green tea, quercetin, melatonin, lycopene, resveratrol, and curcumin. These compounds have been used for the technological development of gels, membranes, dentifrices, chewing gum, orally disintegrating film, mouthwash, mouth spray, and mouth massage cream and exhibit the ability to neutralize free radicals and reduce oxidative stress, a critical factor in the development and progression of periodontal diseases. The patent documents have shown that using antioxidant compounds in conjunction with traditional periodontal treatments is a promising area of interest in periodontal therapy. Full article
(This article belongs to the Special Issue Pharmacological Properties of Natural Antioxidants)
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22 pages, 38737 KiB  
Article
A Computer Vision Framework for Structural Analysis of Hand-Drawn Engineering Sketches
by Isaac Joffe, Yuchen Qian, Mohammad Talebi-Kalaleh and Qipei Mei
Sensors 2024, 24(9), 2923; https://doi.org/10.3390/s24092923 (registering DOI) - 03 May 2024
Abstract
Structural engineers are often required to draw two-dimensional engineering sketches for quick structural analysis, either by hand calculation or using analysis software. However, calculation by hand is slow and error-prone, and the manual conversion of a hand-drawn sketch into a virtual model is [...] Read more.
Structural engineers are often required to draw two-dimensional engineering sketches for quick structural analysis, either by hand calculation or using analysis software. However, calculation by hand is slow and error-prone, and the manual conversion of a hand-drawn sketch into a virtual model is tedious and time-consuming. This paper presents a complete and autonomous framework for converting a hand-drawn engineering sketch into an analyzed structural model using a camera and computer vision. In this framework, a computer vision object detection stage initially extracts information about the raw features in the image of the beam diagram. Next, a computer vision number-reading model transcribes any handwritten numerals appearing in the image. Then, feature association models are applied to characterize the relationships among the detected features in order to build a comprehensive structural model. Finally, the structural model generated is analyzed using OpenSees. In the system presented, the object detection model achieves a mean average precision of 99.1%, the number-reading model achieves an accuracy of 99.0%, and the models in the feature association stage achieve accuracies ranging from 95.1% to 99.5%. Overall, the tool analyzes 45.0% of images entirely correctly and the remaining 55.0% of images partially correctly. The proposed framework holds promise for other types of structural sketches, such as trusses and frames. Moreover, it can be a valuable tool for structural engineers that is capable of improving the efficiency, safety, and sustainability of future construction projects. Full article
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17 pages, 3588 KiB  
Article
Lytic and Latent Genetic Diversity of the Epstein–Barr Virus Reveals Raji-Related Variants from Southeastern Brazil Associated with Recombination Markers
by Paula D. Alves, Paulo Rohan, Rocio Hassan and Eliana Abdelhay
Int. J. Mol. Sci. 2024, 25(9), 5002; https://doi.org/10.3390/ijms25095002 (registering DOI) - 03 May 2024
Abstract
Epstein–Barr virus (EBV) is a ubiquitous gammaherpesvirus etiologically associated with benign and malignant diseases. Since the pathogenic mechanisms of EBV are not fully understood, understanding EBV genetic diversity is an ongoing goal. Therefore, the present work describes the genetic diversity of the lytic [...] Read more.
Epstein–Barr virus (EBV) is a ubiquitous gammaherpesvirus etiologically associated with benign and malignant diseases. Since the pathogenic mechanisms of EBV are not fully understood, understanding EBV genetic diversity is an ongoing goal. Therefore, the present work describes the genetic diversity of the lytic gene BZLF1 in a sampling of 70 EBV-positive cases from southeastern Brazil. Additionally, together with the genetic regions previously characterized, the aim of the present study was to determine the impact of viral genetic factors that may influence EBV genetic diversity. Accordingly, the phylogenetic analysis of the BZLF1 indicated two main clades with high support, BZ-A and BZ-B (PP > 0.85). Thus, the BZ-A clade was the most diverse clade associated with the main polymorphisms investigated, including the haplotype Type 1 + V3 (p < 0.001). Furthermore, the multigene phylogenetic analysis (MLA) between BZLF1 and the oncogene LMP1 showed specific clusters, revealing haplotypic segregation that previous single-gene phylogenies from both genes failed to demonstrate. Surprisingly, the LMP1 Raji-related variant clusters were shown to be more diverse, associated with BZ-A/B and the Type 2/1 + V3 haplotypes. Finally, due to the high haplotypic diversity of the Raji-related variants, the number of DNA recombination-inducing motifs (DRIMs) was evaluated within the different clusters defined by the MLA. Similarly, the haplotype BZ-A + Raji was shown to harbor a greater number of DRIMs (p < 0.001). These results call attention to the high haplotype diversity of EBV in southeast Brazil and strengthen the hypothesis of the recombinant potential of South American Raji-related variants via the LMP1 oncogene. Full article
(This article belongs to the Special Issue Recent Advances in Herpesviruses)
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