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Search Results (2,656)

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Keywords = site selection evaluation

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21 pages, 5062 KiB  
Article
Forest Management Effects on Breeding Bird Communities in Apennine Beech Stands
by Guglielmo Londi, Francesco Parisi, Elia Vangi, Giovanni D’Amico and Davide Travaglini
Ecologies 2025, 6(3), 54; https://doi.org/10.3390/ecologies6030054 (registering DOI) - 1 Aug 2025
Abstract
Beech forests in the Italian peninsula are actively managed and they also support a high level of biodiversity. Hence, biodiversity conservation can be synergistic with timber production and carbon sequestration, enhancing the overall economic benefits of forest management. This study aimed to evaluate [...] Read more.
Beech forests in the Italian peninsula are actively managed and they also support a high level of biodiversity. Hence, biodiversity conservation can be synergistic with timber production and carbon sequestration, enhancing the overall economic benefits of forest management. This study aimed to evaluate the effect of forest management regimes on bird communities in the Italian Peninsula during 2022 through audio recordings. We studied the structure, composition, and specialization of the breeding bird community in four managed beech stands (three even-aged beech stands aged 20, 60, and 100 years old, managed by a uniform shelterwood system; one uneven-aged stand, managed by a single-tree selection system) and one uneven-aged, unmanaged beech stand in the northern Apennines (Tuscany region, Italy). Between April and June 2022, data were collected through four 1-hour audio recording sessions per site, analyzing 5 min sequences. The unmanaged stand hosted a richer (a higher number of species, p < 0.001) and more specialized (a higher number of cavity-nesting species, p < 0.001; higher Woodland Bird Community Index (WBCI) values, p < 0.001; and eight characteristic species, including at least four highly specialized ones) bird community, compared to all the managed forests; moreover, the latter were homogeneous (similar to each other). Our study suggests that the unmanaged beech forests should be a priority option for conservation, while in terms of the managed beech forests, greater attention should be paid to defining the thresholds for snags, deadwood, and large trees to be retained to enhance their biodiversity value. Studies in additional sites, conducted over more years and including multi-taxon communities, are recommended for a deeper understanding and generalizable results. Full article
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14 pages, 1502 KiB  
Review
A Bibliographic Analysis of Multi-Risk Assessment Methodologies for Natural Disaster Prevention
by Gilles Grandjean
GeoHazards 2025, 6(3), 41; https://doi.org/10.3390/geohazards6030041 (registering DOI) - 1 Aug 2025
Abstract
In light of the increasing frequency and intensity of natural phenomena, whether climatic or telluric, the relevance of multi-risk assessment approaches has become an important issue for understanding and estimating the impacts of disasters on complex socioeconomic systems. Two aspects contribute to the [...] Read more.
In light of the increasing frequency and intensity of natural phenomena, whether climatic or telluric, the relevance of multi-risk assessment approaches has become an important issue for understanding and estimating the impacts of disasters on complex socioeconomic systems. Two aspects contribute to the worsening of this situation. First, climate change has heightened the incidence and, in conjunction, the seriousness of geohazards that often occur with each other. Second, the complexity of these impacts on societies is drastically exacerbated by the interconnections between urban areas, industrial sites, power or water networks, and vulnerable ecosystems. In front of the recent research on this problem, and the necessity to figure out the best scientific positioning to address it, we propose, through this review analysis, to revisit existing literature on multi-risk assessment methodologies. By this means, we emphasize the new recent research frameworks able to produce determinant advances. Our selection corpus identifies pertinent scientific publications from various sources, including personal bibliographic databases, but also OpenAlex outputs and Web of Science contents. We evaluated these works from different criteria and key findings, using indicators inspired by the PRISMA bibliometric method. Through this comprehensive analysis of recent advances in multi-risk assessment approaches, we highlight main issues that the scientific community should address in the coming years, we identify the different kinds of geohazards concerned, the way to integrate them in a multi-risk approach, and the characteristics of the presented case studies. The results underscore the urgency of developing robust, adaptable methodologies, effectively able to capture the complexities of multi-risk scenarios. This challenge should be at the basis of the keys and solutions contributing to more resilient socioeconomic systems. Full article
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31 pages, 5669 KiB  
Article
Research on the Influence of the Parameters of the “AO-Shaped” Skywell of Traditional Huizhou Residential Houses on the Indoor Wind Environment
by Wenjia Pan and Bin Cheng
Buildings 2025, 15(15), 2713; https://doi.org/10.3390/buildings15152713 (registering DOI) - 1 Aug 2025
Abstract
This study was conducted in the context of China’s latest “double carbon” policy. The objective of this study was twofold: firstly, to examine the characteristics of traditional Chinese residential skywell; and secondly, to investigate and develop climate-adaptive technologies for these structures. To this [...] Read more.
This study was conducted in the context of China’s latest “double carbon” policy. The objective of this study was twofold: firstly, to examine the characteristics of traditional Chinese residential skywell; and secondly, to investigate and develop climate-adaptive technologies for these structures. To this end, a study was conducted on the Huizhou skywell architecture in China. Firstly, we obtained a large amount of basic data, such as traditional buildings and skywell parameters in Huizhou through field research and on-site mapping. Second, we combined a large number of parameters and typical cases to analyze the data and determine a more scientifically typical model of Huizhou architecture and experimental coverage of skywell data. Different shapes and sizes of skywell were formed by changing the combination of skywell length and width, and the indoor wind environments of these skywell dwelling models were simulated one by one using PHOENIX (v2016) software. Finally, the data obtained from these simulations are analyzed using the variable control method, and the simulated indoor wind environments of skywells under different scale combinations in terms of skywell length, width, and length–width coupling effects are summarized and compared. The following conclusions were drawn: (1) The length of the skywell has a certain effect on all indoor wind environments, and the variation in indoor wind speed is smallest when the length of the skywell is 7.5 m. When selecting the design size of the skywell, the length of the skywell can be increased accordingly. (2) The width of the skywell for the indoor wind environment is divided into two cases, when the length of the skywell is less than 3.75 m, increasing the width of the skywell will make the indoor wind environment more unstable. However, when the length of the skywell is greater than 3.75 m, the width of the skywell is positively related to the comfort of the indoor wind environment. (3) The area of the skywell should not be too large, usually between 11.25 m2 and 18.75 m2. A slender skywell is more likely to provide a comfortable indoor wind environment. (4) After extensive evaluation, we found that the comfort of the indoor wind environment is high when the width of the skywell is 2 m. The optimum dimensions for the ventilation performance of the skywell are 7.5 m in length and 2 m in width. Full article
(This article belongs to the Section Building Energy, Physics, Environment, and Systems)
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22 pages, 716 KiB  
Article
Survival in Patients with Colorectal Cancer and Isolated Brain Metastases: Temporal Trends and Prognostic Factors from the National Cancer Database (2010–2020)
by Zouina Sarfraz, Diya Jayram, Ahmad Ozair, Lydia Hodgson, Shreyas Bellur, Arun Maharaj, Vyshak A. Venur, Sarbajit Mukherjee and Manmeet S. Ahluwalia
Cancers 2025, 17(15), 2531; https://doi.org/10.3390/cancers17152531 - 31 Jul 2025
Abstract
Background: The development of brain metastases (BM) is a relatively uncommon but significantly adverse event in the spread of colorectal cancer (CRC). Although management of CRC BM has improved with advances in imaging and systemic therapies, clinical outcomes remain poor. Methods: This retrospective [...] Read more.
Background: The development of brain metastases (BM) is a relatively uncommon but significantly adverse event in the spread of colorectal cancer (CRC). Although management of CRC BM has improved with advances in imaging and systemic therapies, clinical outcomes remain poor. Methods: This retrospective cohort study used the U.S. National Cancer Database to evaluate survival outcomes, treatment patterns, and prognostic factors in CRC patients diagnosed with BM between 2010 and 2020. Patients with isolated brain-only metastases formed the primary analytic cohort, while those with additional extracranial metastases were included for descriptive comparison. Multivariable Cox proportional hazards and logistic regression models were used to assess factors associated with of survival. Proportional hazards assumptions were tested using Schoenfeld residuals. Accelerated failure time models were also employed. Results: From a cohort of 1,040,877 individuals with CRC, 795 had metastatic disease present along with relevant data, of which 296 had isolated BM. Median overall survival (mOS) in BM-only metastatic disease group was 7.82 months (95% CI: 5.82–9.66). The longest survival was observed among patients treated with stereotactic radiosurgery combined with systemic therapy (SRS+Sys), with a median OS of 23.26 months (95% CI: 17.51–41.95) and a 3-year survival rate of 35.8%. In adjusted Cox models, SRS, systemic therapy, and definitive surgery of the primary site were each independently associated with reduced hazard of death. Rectal cancer patients had longer survival than those with colon primaries (mOS: 10.35 vs. 6.08 months). Age, comorbidity burden, and insurance status were not associated with survival in adjusted analyses. Conclusions: SRS+Sys was associated with longer survival compared to other treatment strategies. However, treatment selection is highly dependent on individual clinical factors such as performance status, comorbidities, and disease extent; therefore, these findings must be interpreted with caution Future prospective studies incorporating molecular and biomarker data are warranted to better guide care in this rare and high-risk group. Full article
(This article belongs to the Section Cancer Metastasis)
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13 pages, 777 KiB  
Article
Nomogram Development and Feature Selection Strategy Comparison for Predicting Surgical Site Infection After Lower Extremity Fracture Surgery
by Humam Baki and Atilla Sancar Parmaksızoğlu
Medicina 2025, 61(8), 1378; https://doi.org/10.3390/medicina61081378 - 30 Jul 2025
Viewed by 42
Abstract
Background and Objectives: Surgical site infections (SSIs) are a frequent complication after lower extremity fracture surgery, yet tools for individualized risk prediction remain limited. This study aimed to develop and internally validate a nomogram for individualized SSI risk prediction based on perioperative [...] Read more.
Background and Objectives: Surgical site infections (SSIs) are a frequent complication after lower extremity fracture surgery, yet tools for individualized risk prediction remain limited. This study aimed to develop and internally validate a nomogram for individualized SSI risk prediction based on perioperative clinical parameters. Materials and Methods: This retrospective cohort study included adults who underwent lower extremity fracture surgery between 2022 and 2025 at a tertiary care center. Thirty candidate predictors were evaluated. Feature selection was performed using six strategies, and the final model was developed with logistic regression based on bootstrap inclusion frequency. Model performance was assessed by area under the curve, calibration slope, Brier score, sensitivity, and specificity. Results: Among 638 patients undergoing lower extremity fracture surgery, 76 (11.9%) developed SSIs. Of six feature selection strategies compared, bootstrap inclusion frequency identified seven predictors: red blood cell count, preoperative C-reactive protein, chronic kidney disease, operative time, chronic obstructive pulmonary disease, body mass index, and blood transfusion. The final model demonstrated an AUROC of 0.924 (95% CI, 0.876–0.973), a calibration slope of 1.03, and a Brier score of 0.0602. Sensitivity was 86.2% (95% CI, 69.4–94.5) and specificity was 89.5% (95% CI, 83.8–93.3). Chronic kidney disease (OR, 88.75; 95% CI, 5.51–1428.80) and blood transfusion (OR, 85.07; 95% CI, 11.69–619.09) were the strongest predictors of infection. Conclusions: The developed nomogram demonstrates strong predictive performance and may support personalized SSI risk assessment in patients undergoing lower extremity fracture surgery. Full article
(This article belongs to the Special Issue Evaluation, Management, and Outcomes in Perioperative Medicine)
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19 pages, 5284 KiB  
Article
Integrating Dark Sky Conservation into Sustainable Regional Planning: A Site Suitability Evaluation for Dark Sky Parks in the Guangdong–Hong Kong–Macao Greater Bay Area
by Deliang Fan, Zidian Chen, Yang Liu, Ziwen Huo, Huiwen He and Shijie Li
Land 2025, 14(8), 1561; https://doi.org/10.3390/land14081561 - 29 Jul 2025
Viewed by 214
Abstract
Dark skies, a vital natural and cultural resource, have been increasingly threatened by light pollution due to rapid urbanization, leading to ecological degradation and biodiversity loss. As a key strategy for sustainable regional development, dark sky parks (DSPs) not only preserve nocturnal environments [...] Read more.
Dark skies, a vital natural and cultural resource, have been increasingly threatened by light pollution due to rapid urbanization, leading to ecological degradation and biodiversity loss. As a key strategy for sustainable regional development, dark sky parks (DSPs) not only preserve nocturnal environments but also enhance livability by balancing urban expansion and ecological conservation. This study develops a novel framework for evaluating DSP suitability, integrating ecological and socio-economic dimensions, including the resource base (e.g., nighttime light levels, meteorological conditions, and air quality) and development conditions (e.g., population density, transportation accessibility, and tourism infrastructure). Using the Guangdong–Hong Kong–Macao Greater Bay Area (GBA) as a case study, we employ Delphi expert consultation, GIS spatial analysis, and multi-criteria decision-making to identify optimal DSP locations and prioritize conservation zones. Our key findings reveal the following: (1) spatial heterogeneity in suitability, with high-potential zones being concentrated in the GBA’s northeastern, central–western, and southern regions; (2) ecosystem advantages of forests, wetlands, and high-elevation areas for minimizing light pollution; (3) coastal and island regions as ideal DSP sites due to the low light interference and high ecotourism potential. By bridging environmental assessments and spatial planning, this study provides a replicable model for DSP site selection, offering policymakers actionable insights to integrate dark sky preservation into sustainable urban–regional development strategies. Our results underscore the importance of DSPs in fostering ecological resilience, nighttime tourism, and regional livability, contributing to the broader discourse on sustainable landscape planning in high-urbanization contexts. Full article
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21 pages, 727 KiB  
Article
Cost-Effective Energy Retrofit Pathways for Buildings: A Case Study in Greece
by Charikleia Karakosta and Isaak Vryzidis
Energies 2025, 18(15), 4014; https://doi.org/10.3390/en18154014 - 28 Jul 2025
Viewed by 126
Abstract
Urban areas are responsible for most of Europe’s energy demand and emissions and urgently require building retrofits to meet climate neutrality goals. This study evaluates the energy efficiency potential of three public school buildings in western Macedonia, Greece—a cold-climate region with high heating [...] Read more.
Urban areas are responsible for most of Europe’s energy demand and emissions and urgently require building retrofits to meet climate neutrality goals. This study evaluates the energy efficiency potential of three public school buildings in western Macedonia, Greece—a cold-climate region with high heating needs. The buildings, constructed between 1986 and 2003, exhibited poor insulation, outdated electromechanical systems, and inefficient lighting, resulting in high oil consumption and low energy ratings. A robust methodology is applied, combining detailed on-site energy audits, thermophysical diagnostics based on U-value calculations, and a techno-economic assessment utilizing Net Present Value (NPV), Internal Rate of Return (IRR), and SWOT analysis. The study evaluates a series of retrofit measures, including ceiling insulation, high-efficiency lighting replacements, and boiler modernization, against both technical performance criteria and financial viability. Results indicate that ceiling insulation and lighting system upgrades yield positive economic returns, while wall and floor insulation measures remain financially unattractive without external subsidies. The findings are further validated through sensitivity analysis and policy scenario modeling, revealing how targeted investments, especially when supported by public funding schemes, can maximize energy savings and emissions reductions. The study concludes that selective implementation of cost-effective measures, supported by public grants, can achieve energy targets, improve indoor environments, and serve as a replicable model of targeted retrofits across the region, though reliance on external funding and high upfront costs pose challenges. Full article
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15 pages, 1274 KiB  
Review
Engineered Bifidobacterium Strains Colonization at Tumor Sites: A Novel Approach to the Delivery of Cancer Treatments
by Rhea Amonkar, Ashley Ann Uy, Pablo Ramirez, Harina Patel, Jae Jin Jeong, Nicole Oyinade Shoyele, Vidhi Vaghela and Ashakumary Lakshmikuttyamma
Cancers 2025, 17(15), 2487; https://doi.org/10.3390/cancers17152487 - 28 Jul 2025
Viewed by 221
Abstract
Bacteria-mediated cancer therapy represents a novel and promising strategy for targeted drug delivery to solid tumors. Multiple studies have demonstrated that various Bifidobacterium species can selectively colonize the hypoxic microenvironments characteristic of solid tumors. Leveraging this property, Bifidobacterium has been explored as a [...] Read more.
Bacteria-mediated cancer therapy represents a novel and promising strategy for targeted drug delivery to solid tumors. Multiple studies have demonstrated that various Bifidobacterium species can selectively colonize the hypoxic microenvironments characteristic of solid tumors. Leveraging this property, Bifidobacterium has been explored as a delivery vector for a range of anti-cancer approaches such as immunotherapy, nanoformulated chemotherapeutics, and gene therapy. Notably, anti-angiogenic genes such as endostatin and tumstatin have been successfully delivered to colorectal tumors using Bifidobacterium infantis and Bifidobacterium longum, respectively. Additionally, Bifidobacterium bifidum has been employed to transport doxorubicin and paclitaxel nanoparticles to breast and lung tumor sites. Furthermore, both Bifidobacterium longum and Bifidobacterium bifidum have been utilized to deliver nanoparticles that act as synergistic agents for high-intensity focused ultrasound (HIFU) therapy, significantly enhancing tumor ablation, particularly in triple-negative breast cancer (TNBC) models. While these pre-clinical findings are highly encouraging, further clinical research is essential. Specifically, studies are needed to investigate the colonization dynamics of different Bifidobacterium species across various tumor types and to evaluate their potential in delivering diverse cancer therapies in human patients. Full article
(This article belongs to the Special Issue Advances in Drug Delivery for Cancer Therapy)
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21 pages, 5215 KiB  
Article
Evaluation of Seismicity Induced by Geothermal Development Based on Artificial Neural Network
by Kun Shan, Yanhao Zheng, Wanqiang Cheng, Zhigang Shan and Yanjun Zhang
Energies 2025, 18(15), 4004; https://doi.org/10.3390/en18154004 - 28 Jul 2025
Viewed by 209
Abstract
The process of geothermal energy development may cause induced seismic activities, posing a potential threat to the sustainable utilization and safety of geothermal energy. To effectively evaluate the danger of induced seismic activities, this paper establishes an artificial neural network model and selects [...] Read more.
The process of geothermal energy development may cause induced seismic activities, posing a potential threat to the sustainable utilization and safety of geothermal energy. To effectively evaluate the danger of induced seismic activities, this paper establishes an artificial neural network model and selects nine influencing factors as the input parameters of the neurons. Based on the results of induced seismic activity under different parameter conditions, a sensitivity analysis is conducted for each parameter, and the influence degree of each parameter on the magnitude of induced seismic activity is ranked from largest to smallest as follows: in situ stress state, fault presence or absence, depth, degree of fracture aggregation, maximum in situ stress, distance to fault, injection volume, fracture dip angle, angle between fracture, and fault. Then, the weights of each parameter in the model are modified to improve the accuracy of the model. Finally, through data collection and the literature review, the Pohang EGS project in South Korea is analyzed, and the induced seismic activity influencing factors of the Pohang EGS site are analyzed and evaluated using the induced seismic activity evaluation model. The results show that the induced seismicity are all located below 3.7 km (drilling depth). As the depth increases, the seismicity magnitude also shows a gradually increasing trend. An increase in injection volume and a shortening of the distance from faults will also lead to an increase in the seismicity magnitude. When the injection volume approaches 10,000 cubic meters, the intensity of the seismic activity sharply increases, and the maximum magnitude reaches 5.34, which is consistent with the actual situation. This model can be used for the induced seismic evaluation of future EGS projects and provide a reference for project site selection and induced seismic risk warning. Full article
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16 pages, 1238 KiB  
Article
Mortality Risk of Colistin vs. Non-Colistin Use in Cancer Patients with Multidrug-Resistant Gram-Negative Bacterial Infections: Stratified by Resistance Profile and Concomitant Medications
by Soo Hyeon Lee, Yongwon Choi, Chang-Young Choi, Yeo Jin Choi and Sooyoung Shin
Medicina 2025, 61(8), 1361; https://doi.org/10.3390/medicina61081361 - 28 Jul 2025
Viewed by 257
Abstract
Background and Objectives: Cancer patients are particularly susceptible to infections caused by multidrug-resistant Gram-negative bacteria (MDR GNB) due to chemotherapy- or radiation therapy-induced immunosuppression. Colistin is often prescribed as a last-resort agent for MDR GNB infection, but its clinical benefit in oncology patients [...] Read more.
Background and Objectives: Cancer patients are particularly susceptible to infections caused by multidrug-resistant Gram-negative bacteria (MDR GNB) due to chemotherapy- or radiation therapy-induced immunosuppression. Colistin is often prescribed as a last-resort agent for MDR GNB infection, but its clinical benefit in oncology patients remains unclear. This study aims to evaluate the mortality risk associated with colistin versus non-colistin regimens in cancer patient with MDR GNB infections, stratified by resistance profiles, infection sites, and concomitant medication use. Materials and Methods: A retrospective cohort study was conducted in adult cancer patients with MDR GNB infections that are resistant to at least three antibiotic classes and identified from at least two anatomical sites at a tertiary care hospital in Korea. Propensity score-matched in a 1:3 ratio either to the colistin group or non-colistin group and multivariate Cox hazard regression analyses were used to evaluate mortality in cancer patients with MDR GNB infections, primarily Acinetobacter baumannii, Klebsiella pneumoniae, and Pseudomonas aeruginosa. Results: A total of 85 patients (29 patients in the colistin and 56 patients in the non-colistin group) were included in the analysis. Overall, colistin use did not show a statistically significant mortality benefit compared to non-colistin regimens (hazard ratio (HR) 0.93, 95% CI 0.47–1.87). However, the subgroup analysis revealed that colistin had a potential association with significantly lower mortality in pneumonia patients with aminoglycoside-resistant infections (HR 0.04, 95% CI 0.002–0.69). Concomitant use of antipsychotics and benzodiazepines in selected resistance profiles also correlated with improved outcomes. In contrast, a potential association was found between concomitant macrolide use and increased mortality in patients with fluoroquinolone- or penicillin-resistant profiles. Conclusions: Colistin may offer survival benefits in selected high-risk cancer patients with MDR GNB pneumonia. Treatment outcomes are influenced by resistance profiles, infection sites, and concomitant medications, indicating the significant importance of individualized antimicrobial therapy and antimicrobial stewardship in oncology patients. Full article
(This article belongs to the Section Pharmacology)
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12 pages, 2555 KiB  
Article
Genogroup-Specific Multiplex Reverse Transcriptase Loop-Mediated Isothermal Amplification Assay for Point-of-Care Detection of Norovirus
by Wahedul Karim Ansari, Mi-Ran Seo and Yeun-Jun Chung
Diagnostics 2025, 15(15), 1868; https://doi.org/10.3390/diagnostics15151868 - 25 Jul 2025
Viewed by 202
Abstract
Background/Objectives: Norovirus is a major cause of acute gastroenteritis worldwide. Considering its highly infectious and transmissible nature, rapid and accurate diagnostic tools are of utmost importance for the effective control of outbreaks in the context of point-of-care testing (POCT). In this study, we [...] Read more.
Background/Objectives: Norovirus is a major cause of acute gastroenteritis worldwide. Considering its highly infectious and transmissible nature, rapid and accurate diagnostic tools are of utmost importance for the effective control of outbreaks in the context of point-of-care testing (POCT). In this study, we developed a genogroup-specific multiplex reverse transcriptase loop-mediated isothermal amplification assay to detect the human norovirus genogroups I and II (GI and GII, respectively). Methods: For the comprehensive detection of clinically relevant genotypes, two sets of primers were incorporated into the assays targeting the RdRp-VP1 junction: one against GI.1 and GI.3, and the other for GII.2 and GII.4. Following optimization of the reaction variables, we standardized the reaction conditions at 65 °C with 6 mM MgSO4, 1.4 mM dNTPs, 7.5 U WarmStart RTx Reverse Transcriptase, and Bst DNA polymerase at 8 U and 10 U for GI and GII, respectively. Amplification was monitored in real-time using a thermocycler platform to ensure precise quantification and detection. Finally, the assay was evaluated through portable isothermal detection device to test its feasibility in on-site settings. Results: Both assays detected the template down to 102–103 copies per reaction and showed high target selectivity, yielding no non-specific amplification across 39 enteric pathogens. These assays enabled prompt detection of GI within 10–12 min and of GII within 12–17 min after the reaction was initiated. Onsite validation reveals all template detection below 15 min, demonstrating its potential feasibility in point-of-care applications. Including the sample preparation time, test results were obtained in less than 1 h. Conclusions: This method is a rapid, reliable, and scalable solution for detecting human norovirus in POCT settings for both clinical diagnosis and public health surveillance. Full article
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34 pages, 16124 KiB  
Article
Molecular Dynamics Studies on the Inhibition of Cholinesterases by Secondary Metabolites
by Michael D. Gambardella, Yigui Wang and Jiongdong Pang
Catalysts 2025, 15(8), 707; https://doi.org/10.3390/catal15080707 - 25 Jul 2025
Viewed by 309
Abstract
The search for selective anticholinergic agents stems from varying cholinesterase levels as Alzheimer’s Disease progresses from the mid-to-late stage and from butyrylcholinesterase’s (BChE) role in β-amyloid plaque formation. While structure-based and pharmacophore-based virtual screening could search from large libraries in a short time, [...] Read more.
The search for selective anticholinergic agents stems from varying cholinesterase levels as Alzheimer’s Disease progresses from the mid-to-late stage and from butyrylcholinesterase’s (BChE) role in β-amyloid plaque formation. While structure-based and pharmacophore-based virtual screening could search from large libraries in a short time, these methods do not consider dynamic features that result from a ligand’s inhibition of the enzyme and consequently may under- or overexaggerate enzyme selectivity of a given ligand. In this computational study, we probed the selectivity of representative secondary metabolite compounds against acetylcholinesterase and BChE through molecular dynamics simulations. The results were evaluated by analysis of the root mean squared deviation of ligand heavy atoms, the radius of gyration of each inhibited and uninhibited enzyme, root mean squared fluctuation of residues, intermolecular interaction energy, and linear interaction energy approximation of the Gibbs free energy of binding. These considerations further reveal the induced-fit characteristics contributing to ChE selectivity that are predominantly due to the greater flexibility of BChE’s active site gorge. Full article
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24 pages, 5866 KiB  
Article
Multiscale Characterization of Thermo-Hydro-Chemical Interactions Between Proppants and Fluids in Low-Temperature EGS Conditions
by Bruce Mutume, Ali Ettehadi, B. Dulani Dhanapala, Terry Palisch and Mileva Radonjic
Energies 2025, 18(15), 3974; https://doi.org/10.3390/en18153974 - 25 Jul 2025
Viewed by 213
Abstract
Enhanced Geothermal Systems (EGS) require thermochemically stable proppant materials capable of sustaining fracture conductivity under harsh subsurface conditions. This study systematically investigates the response of commercial proppants to coupled thermo-hydro-chemical (THC) effects, focusing on chemical stability and microstructural evolution. Four proppant types were [...] Read more.
Enhanced Geothermal Systems (EGS) require thermochemically stable proppant materials capable of sustaining fracture conductivity under harsh subsurface conditions. This study systematically investigates the response of commercial proppants to coupled thermo-hydro-chemical (THC) effects, focusing on chemical stability and microstructural evolution. Four proppant types were evaluated: an ultra-low-density ceramic (ULD), a resin-coated sand (RCS), and two quartz-based silica sands. Experiments were conducted under simulated EGS conditions at 130 °C with daily thermal cycling over a 25-day period, using diluted site-specific Utah FORGE geothermal fluids. Static batch reactions were followed by comprehensive multi-modal characterization, including scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), X-ray diffraction (XRD), and micro-computed tomography (micro-CT). Proppants were tested in both granular and powdered forms to evaluate surface area effects and potential long-term reactivity. Results indicate that ULD proppants experienced notable resin degradation and secondary mineral precipitation within internal pore networks, evidenced by a 30.4% reduction in intragranular porosity (from CT analysis) and diminished amorphous peaks in the XRD spectra. RCS proppants exhibited a significant loss of surface carbon content from 72.98% to 53.05%, consistent with resin breakdown observed via SEM imaging. While the quartz-based sand proppants remained morphologically intact at the macro-scale, SEM-EDS revealed localized surface alteration and mineral precipitation. The brown sand proppant, in particular, showed the most extensive surface precipitation, with a 15.2% increase in newly detected mineral phases. These findings advance understanding of proppant–fluid interactions under low-temperature EGS conditions and underscore the importance of selecting proppants based on thermo-chemical compatibility. The results also highlight the need for continued development of chemically resilient proppant formulations tailored for long-term geothermal applications. Full article
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22 pages, 3355 KiB  
Article
Design, Docking Analysis, and Structure–Activity Relationship of Ferrocene-Modified Tyrosine Kinase Inhibitors: Insights into BCR-ABL Interactions
by Irena Philipova, Mariyana Atanasova, Rositsa Mihaylova, Asine Dailova-Barzeva, Stefan M. Ivanov, Rumyana L. Simeonova and Georgi Stavrakov
Molecules 2025, 30(15), 3101; https://doi.org/10.3390/molecules30153101 - 24 Jul 2025
Viewed by 360
Abstract
Ferrocene (Fc), a redox-active organometallic scaffold, has attracted significant attention in medicinal chemistry due to its favorable physicochemical and pharmacological properties. The present study explores the therapeutic potential of novel Fc-functionalized analogues of imatinib and nilotinib, aimed at targeting BCR-ABL1+ chronic myeloid leukemia [...] Read more.
Ferrocene (Fc), a redox-active organometallic scaffold, has attracted significant attention in medicinal chemistry due to its favorable physicochemical and pharmacological properties. The present study explores the therapeutic potential of novel Fc-functionalized analogues of imatinib and nilotinib, aimed at targeting BCR-ABL1+ chronic myeloid leukemia (CML) cells. A series of Fc-based derivatives (compounds 6, 9, 14, and 18) were synthesized by systematically substituting key pharmacophoric regions of the parent tyrosine kinase inhibitors with Fc units. The antiproliferative activity of these compounds was evaluated against four BCR-ABL1-positive leukemia cell lines (K-562, BV-173, AR-230, and LAMA-84), with imatinib serving as a reference drug. Biological assays revealed distinct structure–activity relationships. Compounds 6 and 9 demonstrated superior activity against the K-562 cell line, while compounds 14 and 18 exhibited enhanced potency and higher ligand efficiencies (LEs) against BV-173 and AR-230 cells compared to imatinib. Selectivity assays further indicated favorable toxicity profiles of compounds 9 and 14 toward malignant versus non-malignant cells. Molecular docking studies supported these findings, showing that Fc substitution alters binding interactions within the c-Abl kinase ATP-binding site while retaining key stabilizing contacts. Computationally predicted LEs showed strong correlation with experimental data, especially for K-562 and LAMA-84 cells, confirming the kinase as a relevant target. Full article
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20 pages, 342 KiB  
Review
Grassy and Herbaceous Interrow Cover Crops in European Vineyards: A Review of Their Short-Term Effects on Water Management and Regulating Ecosystem Services
by Mihály Zalai, Olimpia Bujtás, Miklós Sárospataki and Zita Dorner
Land 2025, 14(8), 1526; https://doi.org/10.3390/land14081526 - 24 Jul 2025
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Abstract
Interrow management in vineyards significantly contributes to sustainable viticulture, particularly in water-scarce European regions. Grassy and herbaceous cover crops have been proven to enhance multiple regulating ecosystem services, including soil conservation, carbon sequestration, and improved water infiltration. However, the potential for water competition [...] Read more.
Interrow management in vineyards significantly contributes to sustainable viticulture, particularly in water-scarce European regions. Grassy and herbaceous cover crops have been proven to enhance multiple regulating ecosystem services, including soil conservation, carbon sequestration, and improved water infiltration. However, the potential for water competition with vines necessitates region-specific approaches. This review aims to analyze the effects of different cover crop types and interrow tillage methods on water management and regulating ecosystem services, focusing on main European vineyard areas. The research involved a two-stage literature review by Google Scholar and Scopus, resulting in the identification of 67 relevant scientific publications, with 11 offering experimental data from European contexts. Selected studies were evaluated based on climate conditions, soil properties, slope characteristics, and interrow treatments. Findings highlight that the appropriate selection of cover crop species, sowing and mowing timing, and mulching practices can optimize vineyard resilience under climate stress. Practical recommendations are offered to help winegrowers adopt cost-effective and environmentally adaptive strategies, especially on sloped or shallow soils, where partial cover cropping is often the most beneficial for both yield and ecological balance. Cover crops and mulching reduce erosion, enhance vineyard soil moisture, relieve water stress consequences, and, as a result, these cover cropping techniques can improve yield and nutritional values of grapes (e.g., Brix, pH, K concentration), but effects vary; careful, site-specific, long-term management is essential for best results. Full article
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