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33 pages, 1056 KiB  
Review
Literature Review on Thermodynamic and Kinetic Limitations of Thermal Decomposition of Methane
by Andrzej Mianowski, Mateusz Szul, Tomasz Radko, Aleksander Sobolewski and Tomasz Iluk
Energies 2024, 17(19), 5007; https://doi.org/10.3390/en17195007 (registering DOI) - 8 Oct 2024
Abstract
The state of the art in methane pyrolysis does not yet provide a definitive answer as to whether the concept of an elementary reaction is universally applicable to the apparently simple process of methane dissociation. Similarly, the literature currently lacks a comprehensive and [...] Read more.
The state of the art in methane pyrolysis does not yet provide a definitive answer as to whether the concept of an elementary reaction is universally applicable to the apparently simple process of methane dissociation. Similarly, the literature currently lacks a comprehensive and unambiguous description of the methane pyrolysis process and, in particular, a single model that would well represent its course at both the micro and macro scales. Given the wide range of conditions under which this reaction can occur—whether thermal or thermo-catalytic, in solid or fluidized bed reactors—it is crucial to evaluate the usefulness of different kinetic models and their compatibility with basic thermodynamic principles and design assumptions. To address these research gaps, the authors analysed the thermodynamic and kinetic dependencies involved in the thermal decomposition of methane, using the synthesis of methane from its elemental components and its reversibility as a basis for exploring suitable kinetic models. Using experimental data available in the literature, a wide range of kinetic models have been analysed to determine how they all relate to the reaction rate constant. It was found that regardless of whether the process is catalytic or purely thermal, for temperatures above 900 °C the reversibility of the reaction has a negligible effect on the hydrogen yield. This work shows how the determined kinetic parameters are consistent with the Kinetic Compensation Effect (KCE) and, by incorporating elements of Transition State Theory (TST), the possibility of the existence of Entropy–Enthalpy Compensation (EEC). The indicated correspondence between KCE and EEC is strengthened by the calculated average activation entropy at isokinetic temperature Based on these results, the authors also show that changes in the activation energy can only serve as an estimate of the optimal process conditions, since the isoconversion temperature () is shown to depend not only on thermodynamic principles but also on the way the reaction is carried out, with temperature (T) and pressure (P) locally compensating each other. Full article
(This article belongs to the Section J: Thermal Management)
18 pages, 1055 KiB  
Article
Comparative Analysis of Heart Rate Variability and Arterial Stiffness in Elite Male Athletes after COVID-19
by Mohamed M. Ammar, Noureddine M. Ben Said, Younes N. Ben Said, Ahmed M. Abdelsalam, Sergey P. Levushkin, Aleksey Laptev, Mokhtar Inoubli and Mehdi Chlif
J. Clin. Med. 2024, 13(19), 5990; https://doi.org/10.3390/jcm13195990 (registering DOI) - 8 Oct 2024
Abstract
This study investigated the long-term cardiovascular effects of coronavirus disease (COVID-19) in elite male athletes by comparing the heart rate variability (HRV), arterial stiffness, and other cardiovascular parameters between those with and without prior COVID-19 infection. Methods: This cross-sectional study evaluated 120 elite [...] Read more.
This study investigated the long-term cardiovascular effects of coronavirus disease (COVID-19) in elite male athletes by comparing the heart rate variability (HRV), arterial stiffness, and other cardiovascular parameters between those with and without prior COVID-19 infection. Methods: This cross-sectional study evaluated 120 elite male athletes (60 post COVID-19, 60 controls) using anthropometric measurements, body composition analysis, pulmonary function tests, HRV analysis, arterial stiffness assessments, hemodynamic monitoring, and microcirculatory function tests. Results: Athletes post COVID-19 showed significantly higher lean mass (p = 0.007), forced vital capacity (p = 0.001), and forced expiratory volume in 1 s (p = 0.007) than controls. HRV parameters did not significantly differ between the groups. Post-COVID-19 athletes exhibited peripheral vascular resistance (p = 0.048) and reflection index (p = 0.038). No significant differences were observed in the blood pressure, cardiac output, oxygen saturation, or microcirculatory oxygen absorption. Conclusions: Elite male athletes showed notable cardiovascular resilience after COVID-19, with only minor differences in vascular function. The maintained cardiac autonomic function and improved lung parameters in post-COVID-19 athletes suggests an adaptive response. These findings support the cardiovascular health of elite athletes following COVID-19 but emphasize the importance of continued monitoring. Full article
(This article belongs to the Section Sports Medicine)
13 pages, 599 KiB  
Systematic Review
The Role of Different Feedback Devices in the Survival of Patients in Cardiac Arrest: Systematic Review with Meta-Analysis
by Luca Gambolò, Pasquale Di Fronzo, Giuseppe Ristagno, Sofia Biserni, Martina Milazzo, Delia Marta Socaci, Leopoldo Sarli, Giovanna Artioli, Antonio Bonacaro and Giuseppe Stirparo
J. Clin. Med. 2024, 13(19), 5989; https://doi.org/10.3390/jcm13195989 (registering DOI) - 8 Oct 2024
Abstract
Background: Cardiac arrest is a critical condition affecting approximately 1 in every 1000 people in Europe. Feedback devices have been developed to enhance the quality of chest compressions during CPR, but their clinical impact remains uncertain. This study aims to evaluate the effect [...] Read more.
Background: Cardiac arrest is a critical condition affecting approximately 1 in every 1000 people in Europe. Feedback devices have been developed to enhance the quality of chest compressions during CPR, but their clinical impact remains uncertain. This study aims to evaluate the effect of feedback devices on key clinical outcomes in adult patients experiencing both out-of-hospital (OHCA) and in-hospital cardiac arrest (IHCA). The primary objective is to assess their impact on the return of spontaneous circulation (ROSC); secondary objectives include the evaluation of neurological status and survival to discharge. Methods: A systematic review was conducted following PRISMA guidelines, utilizing databases including PubMed, Scopus, Web of Science, and Embase. Studies published between 2000 and 2023 comparing CPR with and without the use of feedback devices were included. A fixed-effects network meta-analysis was performed for ROSC and survival, while a frequentist meta-analysis was conducted for neurological outcomes. Results: Twelve relevant studies met the inclusion criteria. The meta-analysis results showed that the use of audiovisual feedback devices significantly increases the likelihood of ROSC (OR 1.26, 95% CI 1.13–1.41, p < 0.0001) and survival (OR 1.52, 95% CI 1.27–1.81, p < 0.0001) compared to CPR without feedback. However, the effect of metronomes did not reach statistical significance. Conclusions: Feedback devices, particularly audiovisual ones, are associated with improved clinical outcomes in cardiac arrest patients. Their use should be encouraged in both training settings and real-life emergency scenarios to enhance survival rates and ROSC. However, further studies are needed to confirm long-term impacts and to explore the potential benefits of metronomes. Full article
(This article belongs to the Section Epidemiology & Public Health)
11 pages, 525 KiB  
Article
Grip Strength, Anthropometric Indices, and Their Combination in Screening for Metabolic Syndrome in the Korean Population
by Bum Ju Lee
J. Clin. Med. 2024, 13(19), 5988; https://doi.org/10.3390/jcm13195988 (registering DOI) - 8 Oct 2024
Abstract
Background: Metabolic syndrome (MS) is a cluster of cardiometabolic risk factors for future diabetes and cardiovascular diseases, and low grip strength (GS) is associated with an increased risk of MS. However, the index (among absolute GS, relative GS, and anthropometric indices) that [...] Read more.
Background: Metabolic syndrome (MS) is a cluster of cardiometabolic risk factors for future diabetes and cardiovascular diseases, and low grip strength (GS) is associated with an increased risk of MS. However, the index (among absolute GS, relative GS, and anthropometric indices) that is more strongly associated with MS has not been conclusively identified. Therefore, the objective of the present study was to simultaneously examine the associations of MS with relative and absolute GS and anthropometric indices in a Korean population. Methods: In this large-scale cross-sectional study, we used data from the Korean National Health and Nutrition Examination Survey (KNHANES). A total of 20,915 subjects were included in the statistical analyses. Complex sample binary logistic regression models were used to analyze the associations between MS and indices such as the waist-to-height ratio (WHtR), body mass index (BMI), and absolute and relative GS. Results: The prevalence of MS was 40.48% in men and 34.4% in women. The mean GS values in the healthy group and MS group were 38.06 ± 0.13 and 38.06 ± 0.15 years for men (p = 0.980) and 22.72 ± 0.07 and 21.19 ± 0.11 years for women (p < 0.001), respectively. Among all the indices, the WHtR was the index most strongly associated with MS in men. Among the GS indices, the GS/weight index was closely associated with MS, and the magnitude of this association was stronger than that of the absolute GS index. In women, the WHtR was the most related index to MS among all the indices. Among the GS indices, the GS/weight and GS/BMI indices were strongly associated with MS, and the magnitudes of these associations were much greater than those of the absolute GS index. Conclusions: Although absolute and relative GS indices are strongly associated with MS in the Korean population, the strongest association was observed for the simple anthropometric index (WHtR). Full article
(This article belongs to the Section Clinical Rehabilitation)
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19 pages, 726 KiB  
Article
Tyrosinase Inhibitory Activity of Crude Procyanidin Extract from Green Soybean Seed and the Stability of Bioactive Compounds in an Anti-Aging Skin Care Formulation
by Kanyarat Pohntadavit, Suwit Duangmano, Mallika Osiriphan, Noppol Leksawasdi, Charin Techapun, Nutsuda Sumonsiri, Sarana Rose Sommano, Pornchai Rachtanapun, Rojarej Nunta and Julaluk Khemacheewakul
Cosmetics 2024, 11(5), 178; https://doi.org/10.3390/cosmetics11050178 (registering DOI) - 8 Oct 2024
Abstract
Green soybean (Glycine max L.) seed contains a high procyanidin content and high antioxidant activity. Moreover, ultrasound-assisted extraction (UAE) has proved to be advantageous in providing high extraction efficiency. Hence, this study aimed to extract procyanidins from green soybean seeds (GSSs) using [...] Read more.
Green soybean (Glycine max L.) seed contains a high procyanidin content and high antioxidant activity. Moreover, ultrasound-assisted extraction (UAE) has proved to be advantageous in providing high extraction efficiency. Hence, this study aimed to extract procyanidins from green soybean seeds (GSSs) using UAE. This study also evaluated the inhibitory activities of tyrosinase and the cytotoxic effects of crude procyanidin extract. The extract exhibited maximum levels of bioactive components and antioxidant capacity when subjected to a temperature of 15 °C and an extraction time of 20 min. The crude procyanidin extract at a concentration of 10 mg/mL inhibited the tyrosinase enzyme by more than 60%, and the half-maximal inhibitory concentration (IC50) value obtained for the extract was 6.85 ± 0.81 mg/mL. This result was much greater than the IC50 value obtained for kojic acid (0.089 ± 0.08 mg/mL), which was used as a positive control. For the cytotoxicity assessment, the results indicated that the crude procyanidin extract showed no cytotoxicity and actually stimulated the growth of human skin fibroblast cells. More than 80% of the bioactive compounds (total phenolic content (TPC), total flavonoid content (TFC), procyanidin content (PC)) and antioxidant activities (DPPH and FRAP) of the crude extract powder were retained at 38.68 ± 0.01 mg GAE/g, 16.07 ± 0.01 mg CAE/g, 9.24 ± 0.01 mg PC/g, 359.8 ± 0.72 μM Trolox eq/g, and 1640 ± 2.86 μM Trolox eq/g, respectively, after 12 weeks of storage at 25 °C. The crude procyanidin extract powder was then included in a facial serum formulation and tested for pH value and physical evaluation. The stability of the crude procyanidin extract facial serum was shown to be greater for bioactive compounds and antioxidant activity when stored at a temperature of 4 °C than when stored at a temperature of 25 °C. These results suggest that the GSS extracts obtained via ultrasonication show promise for use in cosmeceutical formulations for whitening skincare products. Full article
10 pages, 872 KiB  
Article
Acceptance of Rubella-Containing Vaccine and Factors Associated with Acceptance among Women of Reproductive Age in China: A Cross-Sectional Study
by Xia Xu, Siyu Liu, Xiaoqi Wang, Aodi Huang, Jun Li, Yang Zhou, Lei Wang, Yong Qin, Yu Ma, Shuyi An, Jun Liu, Lin Tang, Zundong Yin and Fuzhen Wang
Vaccines 2024, 12(10), 1153; https://doi.org/10.3390/vaccines12101153 (registering DOI) - 8 Oct 2024
Abstract
Objectives: To investigate the acceptance and factors influencing acceptance of rubella-containing vaccine (RCV) among women of reproductive age in Guangdong, Henan, Hubei, Liaoning, Shanxi, Sichuan and Zhejiang provinces of China. Methods: Using a stratified sampling method, we selected one urban and [...] Read more.
Objectives: To investigate the acceptance and factors influencing acceptance of rubella-containing vaccine (RCV) among women of reproductive age in Guangdong, Henan, Hubei, Liaoning, Shanxi, Sichuan and Zhejiang provinces of China. Methods: Using a stratified sampling method, we selected one urban and one rural community health services center in each of two cities in seven provinces. From these centers, we recruited women 15–49 years of age to complete a questionnaire on their willingness to receive RCV and factors influencing willingness. The survey instrument was adapted from the behavioral and social drivers (BeSD) of vaccination survey tool developed by the World Health Organization. Results: Among 1286 participants, 981 (76.3%) were willing to receive RCV. Awareness of rubella ranged from 12.4% to 70.6%. Willingness to receive RCV differed significantly by region, occupation, vaccination history, and awareness. All latent variables of the structural equation model (SEM) were positively correlated with willingness, and all standardized paths were statistically significant (p < 0.001). Thinking and Feeling had direct positive effects on Social Processes (β = 0.789) and Practical Issues (β = 0.542), thereby indirectly affecting motivation. Conclusions: Women of reproductive age had high willingness to receive the rubella vaccination, but their general awareness of rubella was relatively low. It is necessary to strengthen the health education of women of reproductive age regarding rubella to improve RCV coverage. Full article
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17 pages, 508 KiB  
Article
Pre-Transplant Dual-Energy X-ray Absorptiometry (DXA)-Derived Body Composition Measures as Predictors of Treatment Outcomes and Early Post-Transplant Complications in Patients with Multiple Myeloma (MM) Treated with Autologous Hematopoietic Stem Cell Transplantation (AutoHSCT)
by Paula Jabłonowska-Babij, Diana Jędrzejuk, Maciej Majcherek, Agnieszka Szeremet, Magdalena Karasek, Bartłomiej Kuszczak, Krzysztof Kujawa, Milena Sitkiewicz, Marcin Landwójtowicz, Tomasz Wróbel, Maciej Tomasiewicz and Anna Czyż
J. Clin. Med. 2024, 13(19), 5987; https://doi.org/10.3390/jcm13195987 (registering DOI) - 8 Oct 2024
Abstract
Background/Objectives: Changes in muscle mass and bone density are common in multiple myeloma (MM) patients. Dual-energy X-ray absorptiometry (DXA) offers precise, non-invasive insights into a patient’s physical condition before autologous stem cell transplantation (autoHSCT). This study examines how pre-transplant body composition impacts [...] Read more.
Background/Objectives: Changes in muscle mass and bone density are common in multiple myeloma (MM) patients. Dual-energy X-ray absorptiometry (DXA) offers precise, non-invasive insights into a patient’s physical condition before autologous stem cell transplantation (autoHSCT). This study examines how pre-transplant body composition impacts treatment outcomes and early complications in MM patients undergoing autoHSCT. Methods: This study is a single-center, retrospective analysis of patients with MM who were treated with first or second autoHSCT and underwent DXA pre-transplant between 11 August 2019 and 12 June 2024. Results: We conducted a study of pre-transplant body composition in 127 patients with MM. Among them, 108 (85%) qualified for first autoHSCT, while 19 (15%) qualified for a second. The median age of the patients was 64 years (range 50–73). In the Cox proportional hazards regression conducted in the group of women, Total Body %Fat was a statistically significant predictor for progression-free survival (PFS) (HR = 0.07, 95% CI = 0.01,0.6, p = 0.0157). In the Mann–Whitney U test conducted on males, Lean Mass/Height2 and Appen. Lean Height2 were statistically significant predictors of early infections after autoHSCT (Z = 1.98, p = 0.0473 and Z = 2.32, p = 0.0204, respectively). In males, Fat Mass/Height2 was a significant predictor of non-infectious toxicity related to treatment (Z = −1.98, p = 0.0476). Conclusions: In women, higher levels of adipose tissue initially appear to exert a protective effect; however, this benefit diminishes over time, with greater fat mass eventually correlating with an increased risk of disease progression. In men, muscle mass has been identified as a significant predictor of early infection risk post-autoHSCT. Furthermore, our findings indicate that an increased amount of adipose tissue in men is statistically associated with a higher risk of non-infectious treatment-related toxicity. These conclusions highlight the critical need for further investigation into the role of body composition. Full article
(This article belongs to the Section Hematology)
32 pages, 15148 KiB  
Article
Analyzing Temporal Characteristics of Winter Catch Crops Using Sentinel-1 Time Series
by Shanmugapriya Selvaraj, Damian Bargiel, Abdelaziz Htitiou and Heike Gerighausen
Remote Sens. 2024, 16(19), 3737; https://doi.org/10.3390/rs16193737 (registering DOI) - 8 Oct 2024
Abstract
Catch crops are intermediate crops sown between two main crop cycles. Their adoption into the cropping system has increased considerably in the last years due to its numerous benefits, in particular its potential in carbon fixation and preventing nitrogen leaching during winter. The [...] Read more.
Catch crops are intermediate crops sown between two main crop cycles. Their adoption into the cropping system has increased considerably in the last years due to its numerous benefits, in particular its potential in carbon fixation and preventing nitrogen leaching during winter. The growth period of catch crops in Germany is often marked by dense cloud cover, which limits land surface monitoring through optical remote sensing. In such conditions, synthetic aperture radar (SAR) emerges as a viable option. Despite the known advantages of SAR, the understanding of temporal behavior of radar parameters in relation to catch crops remains largely unexplored. Hence, in this study, we exploited the dense time series of Sentinel-1 data within the Copernicus Space Component to study the temporal characteristics of catch crops over a test site in the center of Germany. Radar parameters such as VV, VH, VH/VV backscatter, dpRVI (dual-pol Radar Vegetation Index) and VV coherence were extracted, and temporal profiles were interpreted for catch crops and preceding main crops along with in situ, temperature, and precipitation data. Additionally, we examined the temporal profiles of winter main crops (winter oilseed rape and winter cereals), that are grown parallel to the catch crop growing cycle. Based on the analyzed temporal patterns, we defined 22 descriptive features from VV, VH, VH/VV and dpRVI, which are specific to catch crop identification. Then, we conducted a Kruskal–Wallis test on the extracted parameters, both crop-wise and group-wise, to assess the significance of statistical differences among different catch crop groups. Our results reveal that there exists a unique temporal pattern for catch crops compared to main crops, and each of these extracted parameters possess a different sensitivity to catch crops. Parameters VV and VH are sensitive to phenological stages and crop structure. On the other hand, VH/VV and dpRVI were found to be highly sensitive to crop biomass. Coherence can be used to detect the sowing and harvest events. The preceding main crop analysis reveals that winter wheat and winter barley are the two dominant main crops grown before catch crops. Moreover, winter main crops (winter oilseed rape, winter cereals) cultivated during the catch crop cycle can be distinguished by exploiting the observed sowing window differences. The extracted descriptive features provide information about sowing, harvest, vigor, biomass, and early/late die-off nature specific to catch crop types. In the Kruskal–Wallis test, the observed high H-statistic and low p-value in several predictors indicates significant variability at 0.001 level. Furthermore, Dunn’s post hoc test among catch crop group pairs highlights the substantial differences between cold-sensitive and legume groups (p < 0.001). Full article
24 pages, 4716 KiB  
Article
Optimization of the Treatment of Squamous Cell Carcinoma Cells by Combining Photodynamic Therapy with Cold Atmospheric Plasma
by Sigrid Karrer, Petra Unger, Nina Spindler, Rolf-Markus Szeimies, Anja Katrin Bosserhoff, Mark Berneburg and Stephanie Arndt
Int. J. Mol. Sci. 2024, 25(19), 10808; https://doi.org/10.3390/ijms251910808 (registering DOI) - 8 Oct 2024
Abstract
Actinic keratosis (AK) is characterized by a reddish or occasionally skin-toned rough patch on sun-damaged skin, and it is regarded as a precursor to squamous cell carcinoma (SCC). Photodynamic therapy (PDT), utilizing 5-aminolevulinic acid (ALA) along with red light, is a recognized treatment [...] Read more.
Actinic keratosis (AK) is characterized by a reddish or occasionally skin-toned rough patch on sun-damaged skin, and it is regarded as a precursor to squamous cell carcinoma (SCC). Photodynamic therapy (PDT), utilizing 5-aminolevulinic acid (ALA) along with red light, is a recognized treatment option for AK that is limited by the penetration depth of light and the distribution of the photosensitizer into the skin. Cold atmospheric plasma (CAP) is a partially ionized gas with permeability-enhancing and anti-cancer properties. This study analyzed, in vitro, whether a combined treatment of CAP and ALA-PDT may improve the efficacy of the treatment. In addition, the effect of the application sequence of ALA and CAP was investigated using in vitro assays and the molecular characterization of human oral SCC cell lines (SCC-9, SCC-15, SCC-111), human cutaneous SCC cell lines (SCL-1, SCL-2, A431), and normal human epidermal keratinocytes (HEKn). The anti-tumor effect was determined by migration, invasion, and apoptosis assays and supported the improved efficacy of ALA-PDT in combination with CAP. However, the application sequence ALA-CAP–red light seems to be more efficacious than CAP-ALA–red light, which is probably due to increased intracellular ROS levels when ALA is applied first, followed by CAP and red light treatment. Furthermore, the expression of apoptosis- and senescence-related molecules (caspase-3, -6, -9, p16INK4a, p21CIP1) was increased, and different genes of the junctional network (ZO-1, CX31, CLDN1, CTNNB1) were induced after the combined treatment of CAP plus ALA-PDT. HEKn, however, were much less affected than SCC cells. Overall, the results show that CAP may improve the anti-tumor effects of conventional ALA-PDT on SCC cells. Whether this combined application is successful in treating AK in vivo has to be carefully examined in follow-up studies. Full article
(This article belongs to the Special Issue Molecular Aspects of Photodynamic Therapy)
12 pages, 4678 KiB  
Article
Enhanced Anti-Corrosion and Biological Performance of Plasma-Sprayed Nb/ZrO2/HA Coatings on ZK60 Mg Alloy
by Xiaofeng Wan, Siyi Fang, Shouwei Xu, Lu Yu, Jingling Zhou, Shuangqing Qian, Fenglai Huang and Chunhui Ma
Coatings 2024, 14(10), 1282; https://doi.org/10.3390/coatings14101282 (registering DOI) - 8 Oct 2024
Abstract
Niobium (Nb) and zirconium dioxide (ZrO2) were doped into hydroxyapatite (HA) to fabricate HA-based composite coatings prepared on a ZK60 magnesium alloy by plasma spraying technology to improve anti-corrosion and biocompatibility for clinical applications. The results revealed that the Nb-enriched coating [...] Read more.
Niobium (Nb) and zirconium dioxide (ZrO2) were doped into hydroxyapatite (HA) to fabricate HA-based composite coatings prepared on a ZK60 magnesium alloy by plasma spraying technology to improve anti-corrosion and biocompatibility for clinical applications. The results revealed that the Nb-enriched coating exhibits fewer cracks and pores with a flat surface due to the decreased temperature gradient during spraying, and small needle-like structures can fill the cracks and pores in the ZrO2-contained coating, resulting in a more uniform and dense surface. Compared to coatings with only niobium or zirconium dioxide, the ZrO2/Nb/HA composite coating significantly enhanced the mechanical properties and corrosion resistance of the magnesium alloys. Among all the specimens, the ZrO2/HA coating and ZrO2/Nb/HA coating revealed high surface hardness values (327.73 HV and 293.80 HV, respectively). However, the higher hardness value made the ZrO2/HA coating fragile and more likely to crack, while the ZrO2/Nb/HA coating avoided this shortcoming and exhibited a more comprehensive performance. During immersion tests, the ZrO2/Nb/HA coating exhibited a gradual pH increase and minimal mass loss, and the cytocompatibility test demonstrated promising cellular activity. Full article
(This article belongs to the Special Issue Advanced Corrosion Protection through Coatings and Surface Rebuilding)
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15 pages, 1122 KiB  
Review
In Vitro Models Used in Cariology Mineralisation Research—A Review of the Literature
by Yipeng Fu, Manikandan Ekambaram, Kai Chun Li, Ya Zhang, Paul R. Cooper and May Lei Mei
Dent. J. 2024, 12(10), 323; https://doi.org/10.3390/dj12100323 (registering DOI) - 8 Oct 2024
Abstract
Background: Dental caries remains a significant global health problem. One of the fundamental mechanisms underlying the development and progression of dental caries is the dynamic process of demineralisation/remineralisation. In vitro models have played a critical role in advancing our understanding of this process [...] Read more.
Background: Dental caries remains a significant global health problem. One of the fundamental mechanisms underlying the development and progression of dental caries is the dynamic process of demineralisation/remineralisation. In vitro models have played a critical role in advancing our understanding of this process and identifying potential interventions to prevent or arrest dental caries. This literature review aims to provide a structured oversight of in vitro mineralisation models which have been used to study the tooth demineralisation/remineralisation process. Methods: Publications from 2019 to 2023 were screened to identify articles reporting the use of in vitro models to study the demineralisation/remineralisation of tooth caries. The included studies were methodologically assessed for their information on (i) substrate, (ii) lesion formation, and (iii) mineralisation models. Results: The most reported substrates used in the studies were human teeth along with bovine incisors. Acetic/lactic buffers were the most common solutions to induce caries lesions. pH cycling was the most frequently used mineralisation model for simulating the daily change within the oral environment. This review discussed the advantages and limitations of various approaches. Conclusions: Standardisation of in vitro mineralisation models is crucial for enabling effective comparison between studies and advancing caries research. Full article
(This article belongs to the Special Issue Updates and Highlights in Cariology)
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24 pages, 6054 KiB  
Article
Human Target Proteins for Benzo(a)pyrene and Acetaminophen (and Its Metabolites): Insights from Inverse Molecular Docking and Molecular Dynamics Simulations
by Yina Montero-Pérez, Nerlis Pájaro-Castro, Nadia Coronado-Posada, Maicol Ahumedo-Monterrosa and Jesus Olivero-Verbel
Sci. Pharm. 2024, 92(4), 55; https://doi.org/10.3390/scipharm92040055 (registering DOI) - 8 Oct 2024
Abstract
Acetaminophen (APAP) is a widely used analgesic and antipyretic, whereas benzo(a)pyrene (B[a]P) is a carcinogen with significant global health risks due to environmental exposure. While APAP is generally safe at therapeutic doses, co-exposure to B[a]P can exacerbate its toxicity. This study aimed to [...] Read more.
Acetaminophen (APAP) is a widely used analgesic and antipyretic, whereas benzo(a)pyrene (B[a]P) is a carcinogen with significant global health risks due to environmental exposure. While APAP is generally safe at therapeutic doses, co-exposure to B[a]P can exacerbate its toxicity. This study aimed to identify potential human target proteins for B[a]P and APAP through inverse molecular docking and molecular dynamics simulations. We performed inverse docking with B[a]P, APAP, and three APAP metabolites against 689 human proteins involved in various biological processes. Five proteins were selected based on high docking affinity and their involvement in multiple pathways. Molecular dynamics simulations revealed that B[a]P primarily interacted via hydrophobic and π-stacking interactions with proteins like LXR-β, HSP90α, HSP90β, and AKT1, while AM404 formed hydrogen bonds and hydrophobic interactions. The simulations confirmed that the complexes had high conformational stability, except for protein AKT1. These results provide insights into the potential impacts of B[a]P and AM404 on protein functions and their implications for understanding the toxic effects of combined exposure. Full article
18 pages, 10235 KiB  
Article
Oxidative Stress, Inflammation, and Altered Lymphocyte E-NTPDase Are Implicated in Acute Dyslipidemia in Rats: Protective Role of Arbutin
by Reem S. Alruhaimi, Omnia E. Hussein, Sulaiman M. Alnasser, Mousa O. Germoush, Meshal Alotaibi, Emad H. M. Hassanein, Mohamed El Mohtadi and Ayman M. Mahmoud
Pharmaceuticals 2024, 17(10), 1343; https://doi.org/10.3390/ph17101343 (registering DOI) - 8 Oct 2024
Abstract
Background/Objectives: Dyslipidemia is frequently linked to various disorders, and its clinical relevance is now recognized. The role of inflammation and oxidative stress (OS) in dyslipidemia has been acknowledged. This study assessed the potential of arbutin (ARB) to prevent dyslipidemia and its associated OS [...] Read more.
Background/Objectives: Dyslipidemia is frequently linked to various disorders, and its clinical relevance is now recognized. The role of inflammation and oxidative stress (OS) in dyslipidemia has been acknowledged. This study assessed the potential of arbutin (ARB) to prevent dyslipidemia and its associated OS and inflammation in rats with acute hyperlipidemia. Methods: Rats received ARB orally for 14 days and a single intraperitoneal injection of poloxamer-407 on day 15. Results: Poloxamer-407 elevated circulating cholesterol (CHOL), triglycerides (TG), very low-density lipoprotein (vLDL), and LDL, and reduced high-density lipoprotein (HDL)-C and lipoprotein lipase (LPL). ARB ameliorated the circulating lipids and LPL, and suppressed 3-hydroxy-3-methylglutaryl CoA reductase (HMGCR) in rat liver and in vitro. Fatty acid synthase (FAS) in rat liver and its in vitro activity were suppressed by ARB, which also upregulated the LDL receptor (LDL-R) and ABCA1, and had no effect on ABCG5 and ABCG8 mRNA. ARB ameliorated liver malondialdehyde and nitric oxide and enhanced antioxidants in rats with dyslipidemia. Liver NF-κB p65 and blood inflammatory cytokines were increased in dyslipidemic rats, effects that were reversed by ARB. Moreover, ARB effectively suppressed lymphocyte E-NTPDase and E-ADA activities in dyslipidemic rats. The biochemical findings were supported by in silico data showing the affinity of ARB to bind LDL-R PCSK9 binding domain, HMGCR, FAS, and E-NTPDase. Conclusions: ARB possessed anti-dyslipidemia, anti-inflammatory, and antioxidant effects mediated via the modulation of CHOL and TG synthesis, LPL, lymphocyte E-NTPDase and E-ADA, and cytokine release in rats. Thus, ARB could be an effective agent to attenuate dyslipidemia and its associated OS and inflammation, pending further studies as well as clinical trials. Full article
(This article belongs to the Special Issue Antioxidant and Anti-inflammatory Effects of Natural Product Extracts)
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4 pages, 810 KiB  
Short Note
4-(1H-Tetrazol-5-yl)-2-(p-tolyl)quinoline
by Angelika Lásiková and Daniel Végh
Molbank 2024, 2024(4), M1897; https://doi.org/10.3390/M1897 (registering DOI) - 8 Oct 2024
Abstract
The synthesis of 4-(1H-tetrazol-5-yl)-2-(p-tolyl)quinoline 4 as a possible modification of the biphenyltetrazole substructure of losartan 1 is described. The transformation of 2-(p-tolyl)quinoline-4-carbonitrile 3 to the corresponding tetrazole 4 was carried out by the reaction of trimethysilyl azide [...] Read more.
The synthesis of 4-(1H-tetrazol-5-yl)-2-(p-tolyl)quinoline 4 as a possible modification of the biphenyltetrazole substructure of losartan 1 is described. The transformation of 2-(p-tolyl)quinoline-4-carbonitrile 3 to the corresponding tetrazole 4 was carried out by the reaction of trimethysilyl azide and dibutyltin oxide as a catalyst in refluxing toluene. The title compound (4) was characterized by IR, 1H NMR, 13C NMR, and HRMS. Full article
(This article belongs to the Section Organic Synthesis)
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38 pages, 2889 KiB  
Article
Utility of Certain AI Models in Climate-Induced Disasters
by Ritusnata Mishra, Sanjeev Kumar, Himangshu Sarkar and Chandra Shekhar Prasad Ojha
World 2024, 5(4), 865-902; https://doi.org/10.3390/world5040045 (registering DOI) - 8 Oct 2024
Abstract
To address the current challenge of climate change at the local and global levels, this article discusses a few important water resources engineering topics, such as estimating the energy dissipation of flowing waters over hilly areas through the provision of regulated stepped channels, [...] Read more.
To address the current challenge of climate change at the local and global levels, this article discusses a few important water resources engineering topics, such as estimating the energy dissipation of flowing waters over hilly areas through the provision of regulated stepped channels, predicting the removal of silt deposition in the irrigation canal, and predicting groundwater level. Artificial intelligence (AI) in water resource engineering is now one of the most active study topics. As a result, multiple AI tools such as Random Forest (RF), Random Tree (RT), M5P (M5 model trees), M5Rules, Feed-Forward Neural Networks (FFNNs), Gradient Boosting Machine (GBM), Adaptive Boosting (AdaBoost), and Support Vector Machines kernel-based model (SVM-Pearson VII Universal Kernel, Radial Basis Function) are tested in the present study using various combinations of datasets. However, in various circumstances, including predicting energy dissipation of stepped channels and silt deposition in rivers, AI techniques outperformed the traditional approach in the literature. Out of all the models, the GBM model performed better than other AI tools in both the field of energy dissipation of stepped channels with a coefficient of determination (R2) of 0.998, root mean square error (RMSE) of 0.00182, and mean absolute error (MAE) of 0.0016 and sediment trapping efficiency of vortex tube ejector with an R2 of 0.997, RMSE of 0.769, and MAE of 0.531 during testing. On the other hand, the AI technique could not adequately understand the diversity in groundwater level datasets using field data from various stations. According to the current study, the AI tool works well in some fields of water resource engineering, but it has difficulty in other domains in capturing the diversity of datasets. Full article
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