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38 pages, 13994 KB  
Article
Post-Heuristic Cancer Segmentation Refinement over MRI Images and Deep Learning Models
by Panagiotis Christakakis and Eftychios Protopapadakis
AI 2025, 6(9), 212; https://doi.org/10.3390/ai6090212 - 2 Sep 2025
Viewed by 378
Abstract
Lately, deep learning methods have greatly improved the accuracy of brain-tumor segmentation, yet slice-wise inconsistencies still limit reliable use in clinical practice. While volume-aware 3D convolutional networks achieve high accuracy, their memory footprint and inference time may limit clinical adoption. This study proposes [...] Read more.
Lately, deep learning methods have greatly improved the accuracy of brain-tumor segmentation, yet slice-wise inconsistencies still limit reliable use in clinical practice. While volume-aware 3D convolutional networks achieve high accuracy, their memory footprint and inference time may limit clinical adoption. This study proposes a resource-conscious pipeline for lower-grade-glioma delineation in axial FLAIR MRI that combines a 2D Attention U-Net with a guided post-processing refinement step. Two segmentation backbones, a vanilla U-Net and an Attention U-Net, are trained on 110 TCGA-LGG axial FLAIR patient volumes under various loss functions and activation functions. The Attention U-Net, optimized with Dice loss, delivers the strongest baseline, achieving a mean Intersection-over-Union (mIoU) of 0.857. To mitigate slice-wise inconsistencies inherent to 2D models, a White-Area Overlap (WAO) voting mechanism quantifies the tumor footprint shared by neighboring slices. The WAO curve is smoothed with a Gaussian filter to locate its peak, after which a percentile-based heuristic selectively relabels the most ambiguous softmax pixels. Cohort-level analysis shows that removing merely 0.1–0.3% of ambiguous low-confidence pixels lifts the post-processing mIoU above the baseline while improving segmentation for two-thirds of patients. The proposed refinement strategy holds great potential for further improvement, offering a practical route for integrating deep learning segmentation into routine clinical workflows with minimal computational overhead. Full article
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24 pages, 1446 KB  
Article
MQTT Broker Architectural Enhancements for High-Performance P2P Messaging: TBMQ Scalability and Reliability in Distributed IoT Systems
by Dmytro Shvaika, Andrii Shvaika and Volodymyr Artemchuk
IoT 2025, 6(3), 34; https://doi.org/10.3390/iot6030034 - 23 Jun 2025
Viewed by 1061
Abstract
The Message Queuing Telemetry Transport (MQTT) protocol remains a key enabler for lightweight and low-latency messaging in Internet of Things (IoT) applications. However, traditional broker implementations often struggle with the demands of large-scale point-to-point (P2P) communication. This paper presents a performance and architectural [...] Read more.
The Message Queuing Telemetry Transport (MQTT) protocol remains a key enabler for lightweight and low-latency messaging in Internet of Things (IoT) applications. However, traditional broker implementations often struggle with the demands of large-scale point-to-point (P2P) communication. This paper presents a performance and architectural evaluation of TBMQ, an open source MQTT broker designed to support reliable P2P messaging at scale. The broker employs Redis Cluster for session persistence and Apache Kafka for message routing. Additional optimizations include asynchronous Redis access via Lettuce and Lua-based atomic operations. Stepwise load testing was performed using Kubernetes-based deployments on Amazon EKS, progressively increasing message rates to 1 million messages per second (msg/s). The results demonstrate that TBMQ achieves linear scalability and stable latency as the load increases. It reaches an average throughput of 8900 msg/s per CPU core, while maintaining end-to-end delivery latency within two-digit millisecond bounds. These findings confirm that TBMQ’s architecture provides an effective foundation for reliable, high-throughput messaging in distributed IoT systems. Full article
(This article belongs to the Special Issue IoT and Distributed Computing)
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21 pages, 5822 KB  
Article
The Walkability Evaluation and Optimization Strategies of Metro Station Areas Taking Shanghai as an Example
by Xiaoyan Chen, Zhengyan Shi and Yanzhe Hu
Buildings 2025, 15(10), 1746; https://doi.org/10.3390/buildings15101746 - 21 May 2025
Viewed by 723
Abstract
Improving the pedestrian environment around metro stations and enhancing walkability are important for the daily travel and life quality of passengers. By reviewing existing studies, we summarized nine walkability elements and eventually refined them into 18 quantifiable research indicators. Walkability elements such as [...] Read more.
Improving the pedestrian environment around metro stations and enhancing walkability are important for the daily travel and life quality of passengers. By reviewing existing studies, we summarized nine walkability elements and eventually refined them into 18 quantifiable research indicators. Walkability elements such as street enclosure, number of lanes, and tree canopy coverage were quantified through field surveys and passenger perception data. A stepwise regression analysis identified key influencing factors for nine walkability dimensions. Based on the correlation coefficients, factor assignments, and constants, a composite walkability index formula was established to evaluate pedestrian routes near four Shanghai metro stations. The results show that the proportion of sidewalks covered by a tree canopy, the number of lanes, street enclosures, and the transparency of the ground-floor building facade are the most important factors affecting the walkability of the pedestrian environment. In this study, we calculated the scores of each road section, compared the walking facilities and walking distance of different stations, and finally proposed relevant strategies for improving the walking environment. Full article
(This article belongs to the Section Architectural Design, Urban Science, and Real Estate)
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12 pages, 925 KB  
Opinion
Navigating the Development of Dry Powder for Inhalation: A CDMO Perspective
by Beatriz Noriega-Fernandes, Mariam Ibrahim, Rui Cruz, Philip J. Kuehl and Kimberly B. Shepard
Pharmaceuticals 2025, 18(3), 434; https://doi.org/10.3390/ph18030434 - 19 Mar 2025
Viewed by 1824
Abstract
Interest in pulmonary/nasal routes for local delivery has significantly increased over the last decade owing to challenges faced in the delivery of molecules with poor solubility, systemic side effects, or new modalities such as biologics. This increasing interest has attracted new stakeholders to [...] Read more.
Interest in pulmonary/nasal routes for local delivery has significantly increased over the last decade owing to challenges faced in the delivery of molecules with poor solubility, systemic side effects, or new modalities such as biologics. This increasing interest has attracted new stakeholders to the field who have yet to explore inhaled drug product development. Contract development and manufacturing organizations (CDMOs) play a key role in supporting the development of drug products for inhalation, from early feasibility to post marketing. However, a critical gap exists for these newcomers: a clear, integrated, and a CDMO-centric roadmap for navigating the complexities of pulmonary/nasal drug product development. The purpose of this publication is to highlight the key aspects considered in the product development of inhaled dry powder products from a CDMO perspective, providing a novel and stepwise development strategy. A roadmap for the development of inhalable drug products is proposed with authors’ recommendations to facilitate the decision-making process, starting from the definition of the desired target product profile followed by dose selection in preclinical studies. The importance of understanding the nature of the API, whether a small molecule or a biologic, will be highlighted. Additionally, technical guidance on the choice of formulation (dry powder/liquid) will be provided with special focus on dry powders. Selection criteria for the particle engineering technology, mainly jet milling and spray drying, will also be discussed, including the advantages and limitations of such technologies, based on the authors’ industry expertise. Lastly, the paper will highlight the challenges and considerations for encapsulating both spray dried and jet milled powders. Unlike existing literature, this paper offers a unified framework that bridges preclinical, formulation, manufacturing, and encapsulation considerations, providing a practical tool for newcomers. Full article
(This article belongs to the Special Issue Emerging Trends in Inhaled Drug Delivery)
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29 pages, 1891 KB  
Article
Synthesis of Fluorinated Glycotope Mimetics Derived from Streptococcus pneumoniae Serotype 8 CPS
by Daniel Gast, Sebastian Neidig, Maximilian Reindl and Anja Hoffmann-Röder
Int. J. Mol. Sci. 2025, 26(4), 1535; https://doi.org/10.3390/ijms26041535 - 12 Feb 2025
Viewed by 1563
Abstract
Fluorination of carbohydrates is a promising strategy to produce glycomimetics with improved pharmacological properties, such as increased metabolic stability, bioavailability and protein-binding affinity. Fluoroglycans are not only of interest as inhibitors and chemical probes but are increasingly being used to develop potential synthetic [...] Read more.
Fluorination of carbohydrates is a promising strategy to produce glycomimetics with improved pharmacological properties, such as increased metabolic stability, bioavailability and protein-binding affinity. Fluoroglycans are not only of interest as inhibitors and chemical probes but are increasingly being used to develop potential synthetic vaccine candidates for cancer, HIV and bacterial infections. Despite their attractiveness, the synthesis of fluorinated oligosaccharides is still challenging, emphasizing the need for efficient protocols that allow for the site-specific incorporation of fluorine atoms (especially at late stages of the synthesis). This is particularly true for the development of fully synthetic vaccine candidates, whose (modified) carbohydrate antigen structures (glycotopes) per se comprise multistep synthesis routes. Based on a known minimal protective epitope from the capsular polysaccharide of S. pneumoniae serotype 8, a panel of six novel F-glycotope mimetics was synthesized, equipped with amine linkers for subsequent conjugation to immunogens. Next to the stepwise assembly via fluorinated building blocks, the corresponding 6F-substituted derivatives could be obtained by microwave-assisted, nucleophilic late-stage fluorination of tri- and tetrasaccharidic precursors in high yields. The described synthetic strategy allowed for preparation of the targeted fluorinated oligosaccharides in sufficient quantities for future immunological studies. Full article
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15 pages, 2341 KB  
Article
Green Synthesis of CuO Nanoparticles—Structural, Morphological, and Dielectric Characterization
by Joana Neiva, Zohra Benzarti, Sandra Carvalho and Susana Devesa
Materials 2024, 17(23), 5709; https://doi.org/10.3390/ma17235709 - 22 Nov 2024
Cited by 11 | Viewed by 1811
Abstract
This study investigates the structural, chemical, and morphological properties of CuO nanoparticles synthesized via a green synthesis route using Opuntia ficus-indica cladode extract, with a focus on the effects of stepwise versus direct calcination. Raman spectroscopy revealed the presence of CuO, [...] Read more.
This study investigates the structural, chemical, and morphological properties of CuO nanoparticles synthesized via a green synthesis route using Opuntia ficus-indica cladode extract, with a focus on the effects of stepwise versus direct calcination. Raman spectroscopy revealed the presence of CuO, Na2CO3, and Na2SO3, with the latter two being associated with elements inherited from the cactus extracts. XRD patterns confirmed the presence of crystalline CuO and Na2CO3 phases, with the low content of Na2SO3 inferred to be amorphous. Rietveld refinement estimated a CuO content of approximately 77% in the stepwise-calcined sample and 75% in the directly calcined sample, with lattice parameters closely aligning with reference values. SEM micrographs revealed a tendency for CuO nanoparticles to aggregate, likely due to high surface energy and interaction with the viscous plant extract used in the green synthesis. Crystallite size estimates, along with morphological observations, suggest that stepwise calcination enhances crystallinity and particle definition without altering the fundamental nanoparticle morphology. These findings highlight the influence of calcination method and natural extracts on the composition and morphology of green-synthesized CuO nanoparticles, offering insights into potential applications, namely in microelectronics, due to their promising dielectric properties. Full article
(This article belongs to the Special Issue Synthesis and Characterization Techniques for Nanomaterials)
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26 pages, 6195 KB  
Article
Mapping of Some Further Alkylation-Initiated Pathways to Polyheterocyclic Compounds from Indigo and Indirubin
by Sarfaraz Ali, Patrick M. McCosker, Anthony C. Willis, Stephen G. Pyne, Christopher Richardson, John B. Bremner and Paul A. Keller
Molecules 2024, 29(17), 4242; https://doi.org/10.3390/molecules29174242 - 6 Sep 2024
Cited by 1 | Viewed by 1457
Abstract
The reaction of indigo with two equivalents of the electrophile ethyl bromoacetate with caesium carbonate as a base result in the formation of structurally complex polyheterocyclics, including a fused spiroimidazole and a spiro[1,3]oxazino derivative, together with a biindigoid-type derivative, through a convenient one-pot [...] Read more.
The reaction of indigo with two equivalents of the electrophile ethyl bromoacetate with caesium carbonate as a base result in the formation of structurally complex polyheterocyclics, including a fused spiroimidazole and a spiro[1,3]oxazino derivative, together with a biindigoid-type derivative, through a convenient one-pot reaction. Further assessment of the reaction using five equivalents of the electrophile gave rise to other molecules incorporating the 2-(7,13,14-trioxo-6,7,13,14-tetrahydropyrazino[1,2-a:4,3-a′]diindol-6-yl) scaffold. The reaction of ethyl bromoacetate with the less reactive indirubin resulted in the synthesis of three derivatives of a new class of polyheterocyclic system via a cascade process, although yields were low. These compounds were derived from the parent indolo[1,2-b]pyrrolo[4,3,2-de]isoquinoline skeleton. Despite the modest yields of the reactions, they represent quick cascade routes to a variety of heterocycles from cheap starting materials, with these structures otherwise being difficult to synthesise in a traditional stepwise manner. These outcomes also contribute significantly to the detailed understanding of the indigo/indirubin cascade reaction pathways initiated by base-catalysed N-alkylation. Full article
(This article belongs to the Section Organic Chemistry)
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15 pages, 3662 KB  
Article
State of Charge Estimation of Lithium-ion Batteries Based on Online OCV Curve Construction
by Xuemei Wang, Ruiyun Gong, Zhao Yang and Longyun Kang
Batteries 2024, 10(6), 208; https://doi.org/10.3390/batteries10060208 - 16 Jun 2024
Cited by 7 | Viewed by 3514
Abstract
The open-circuit voltage (OCV) curve has a significant influence on the accuracy of the state of charge (SOC) estimation based on equivalent circuit models (ECMs). However, OCV curves are tested through offline experiments and are hard to be very accurate because they constantly [...] Read more.
The open-circuit voltage (OCV) curve has a significant influence on the accuracy of the state of charge (SOC) estimation based on equivalent circuit models (ECMs). However, OCV curves are tested through offline experiments and are hard to be very accurate because they constantly change with the test method’s ambient temperature and aging status. Recently, researchers have attempted to improve the accuracy of OCV curves by increasing the volume of sample data or updating/reconstructing the curve combined with practical operation data. Still, prior offline tests are essential, and experimental errors inevitably exist. Consequently, a SOC estimation method without any offline OCV tests might be an efficient route to improve the accuracy of SOC. According to this idea, this paper presents a novel method for SOC estimation, which is based on online OCV curve construction. Meanwhile, a stepwise multi-timescale parameter identification algorithm is designed to improve the interpretability and precision of the estimated ECM parameters. The results demonstrate that the maximum SOC estimation error is only 0.05% at 25 °C, indicating good robustness under various ambient temperatures and operational conditions. Full article
(This article belongs to the Section Battery Modelling, Simulation, Management and Application)
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12 pages, 1943 KB  
Article
Rearrangement of Arylsulfamates and Sulfates to Para-Sulfonyl Anilines and Phenols
by Yifei Zhou and Alan M. Jones
Molecules 2024, 29(7), 1445; https://doi.org/10.3390/molecules29071445 - 23 Mar 2024
Cited by 3 | Viewed by 2097
Abstract
The C(sp2)-aryl sulfonate functional group is found in bioactive molecules, but their synthesis can involve extreme temperatures (>190 °C or flash vacuum pyrolysis) and strongly acidic reaction conditions. Inspired by the 1917 Tyrer industrial process for a sulfa dye that [...] Read more.
The C(sp2)-aryl sulfonate functional group is found in bioactive molecules, but their synthesis can involve extreme temperatures (>190 °C or flash vacuum pyrolysis) and strongly acidic reaction conditions. Inspired by the 1917 Tyrer industrial process for a sulfa dye that involved an aniline N(sp2)-SO3 intermediate en route to a C(sp2)-SO3 rearranged product, we investigated tributylsulfoammonium betaine (TBSAB) as a milder N-sulfamation to C-sulfonate relay reagent. Initial investigations of a stepwise route involving TBSAB on selected anilines at room temperature enabled the isolation of N(sp2)-sulfamate. Subsequent thermal rearrangement demonstrated the intermediary of a sulfamate en route to the sulfonate; however, it was low-yielding. Investigation of the N-sulfamate to C--sulfonate mechanism through control experiments with variation at the heteroatom positions and kinetic isotope experiments (KIEH/D) confirmed the formation of a key N(sp2)-SO3 intermediate and further confirmed an intermolecular mechanism. Furthermore, compounds without an accessible nitrogen (or oxygen) lone pair did not undergo sulfamation- (or sulfation) -to-sulfonation under these conditions. A one-pot sulfamation and thermal sulfonation reaction was ultimately developed and explored on a range of aniline and heterocyclic scaffolds with high conversions, including N(sp2)-sulfamates (O(sp2)-sulfates) and C(sp2)-sulfonates, in up to 99 and 80% (and 88% for a phenolic example) isolated yield, respectively. Encouragingly, the ability to modulate the ortho-para selectivity of the products obtained was observed under thermal control. A sulfonated analog of the intravenous anesthetic propofol was isolated (88% yield), demonstrating a proof-of-concept modification of a licensed drug alongside a range of nitrogen- and sulfur-containing heterocyclic fragments used in drug discovery. Full article
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19 pages, 3082 KB  
Article
Spatial Analysis of Bike-Sharing Ridership for Sustainable Transportation in Houston, Texas
by Bumseok Chun, Anh Nguyen, Qisheng Pan and Elaheh Mirzaaghazadeh
Sustainability 2024, 16(6), 2569; https://doi.org/10.3390/su16062569 - 21 Mar 2024
Cited by 3 | Viewed by 2820
Abstract
This study aims to analyze bike-sharing information and related urban factors to promote bike-sharing utilization in Houston, Texas. The research was initiated with a descriptive analysis, where the hourly and daily variations in bike demand are investigated, thereby revealing the time-related patterns of [...] Read more.
This study aims to analyze bike-sharing information and related urban factors to promote bike-sharing utilization in Houston, Texas. The research was initiated with a descriptive analysis, where the hourly and daily variations in bike demand are investigated, thereby revealing the time-related patterns of bike tours. The models included data on socio-demographics, public transportation availability, land use patterns, tree canopy coverage, bike routes, and job density within 0.25-mile and 0.5-mile buffer zones around each bike-sharing station. Stepwise regression was utilized to examine the effects of urban factors on bike-sharing ridership, and the explanatory power of the model was enhanced by selecting meaningful variables. The analysis found that tree canopy coverage was a significant factor in influencing bike-sharing ridership. Expansion of tree coverage can help make biking a sustainable mode of transportation. These findings have the potential to guide the development of practical policies that aim to promote sustainable urban mobility through bike-sharing programs. Full article
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25 pages, 17409 KB  
Article
Integrating Cargo Bikes and Drones into Last-Mile Deliveries: Insights from Pilot Deliveries in Five Greek Cities
by Konstantinos Athanasopoulos, Ioannis Chatziioannou, Argyro-Maria Boutsi, Georgios Tsingenopoulos, Sofia Soile, Regina Chliverou, Zoe Petrakou, Efstathios Papanikolaou, Christos Karolemeas, Efthymia Kourmpa, Kalliopi Papadaki, Eleftheria Tzika, Charalabos Ioannidis, Chryssy Potsiou and Thanos Vlastos
Sustainability 2024, 16(3), 1060; https://doi.org/10.3390/su16031060 - 26 Jan 2024
Cited by 7 | Viewed by 5488
Abstract
Currently, there is a growing consensus that the use of more sustainable urban freight transportation has the potential to offer major energy and efficiency benefits which can be achieved through the appropriate combination of cargo bikes and the integration of drones into the [...] Read more.
Currently, there is a growing consensus that the use of more sustainable urban freight transportation has the potential to offer major energy and efficiency benefits which can be achieved through the appropriate combination of cargo bikes and the integration of drones into the urban logistics system. This study presents the results of a stepwise regression analysis that examines the role, benefits, and impact of electric vehicles such as e-bikes, cargo bikes, and drones for intermodal freight transportation in five Greek cities to support the green logistics paradigm. The results show that between routes of almost equal length, the most bicycle-friendly routes, such as routes along pedestrian areas or residential streets, should be avoided, as they reduce delivery speed and increase delivery costs in terms of energy and time expenditure. In addition, priority roads, which usually have higher traffic speeds and more trucks, are preferred by cyclists due to the quality of the road surface, even though the feeling of safety is lower on such roads. Finally, regarding drones, energy consumption is relatively low in the 0–5 mph and 6–10 mph wind speed ranges, indicating efficient energy use. In the 11–15 mph and 16–20 mph wind speed ranges, energy efficiency is significantly lower than the battery capacity, indicating that the cargo drone exhibits excessive energy consumption under these conditions. Full article
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16 pages, 1743 KB  
Article
Ethics and Cooperative Optimization Scheme for CAVs with Velocity-Prioritized Emergency Vehicles at Signal-Free Intersections
by Kaiyuan Chen, Bikang Hua, Miao Wang, Huatang Zeng, Senchun Chai and Wannian Liang
Systems 2023, 11(12), 564; https://doi.org/10.3390/systems11120564 - 30 Nov 2023
Viewed by 1939
Abstract
This study investigates collaborative route mapping for a collection of connected automated vehicles (CAVs) traversing multi-lane pathways, with a particular emphasis on intersections without traffic signals. A distinctive feature of our research is the prioritization of emergency vehicles, such as ambulances and fire [...] Read more.
This study investigates collaborative route mapping for a collection of connected automated vehicles (CAVs) traversing multi-lane pathways, with a particular emphasis on intersections without traffic signals. A distinctive feature of our research is the prioritization of emergency vehicles, such as ambulances and fire engines, according to their velocity demands. Additionally, a comprehensive analysis of the ethical ramifications of implementing such a prioritised system is engaged, while it is notable that in most of the existing studies, the ethical evaluation of intelligent transportation modalities is neglected. From a technical aspect, trajectories for CAVs in current models tend to be either inflexible or congruent with the collective formation of the fleet. Concurrently, the pre-set velocities for CAVs frequently demonstrate a lack of adaptability, which impedes cohesive operation. Moreover, there exists a pronounced deficiency in catering to the prioritization needs of emergency vehicles within these models. The current research endeavours to address these shortcomings by formulating the intersection management as an optimal control problem (OCP). This formulation enables CAVs to modulate their velocities in response to practical objectives, sidestepping fixed lane regulations at junctions. The control framework also encompasses autonomous vehicles of diverse sizes and velocities. An Adaptive Stepwise Optimization (ASO) methodology is proposed to augment the efficacy of the OCP resolution. Full article
(This article belongs to the Special Issue Selected Papers from the 42nd Chinese Control Conference (CCC 2023))
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11 pages, 4175 KB  
Article
Effects of P:Ni Ratio on Methanol Steam Reforming on Nickel Phosphide Catalysts
by Abdulrahman Almithn
Molecules 2023, 28(16), 6079; https://doi.org/10.3390/molecules28166079 - 16 Aug 2023
Cited by 1 | Viewed by 1580
Abstract
This study investigates the influence of the phosphorus-to-nickel (P:Ni) ratio on methanol steam reforming (MSR) over nickel phosphide catalysts using density functional theory (DFT) calculations. The catalytic behavior of Ni(111) and Ni12P5(001) surfaces was explored and contrasted to our [...] Read more.
This study investigates the influence of the phosphorus-to-nickel (P:Ni) ratio on methanol steam reforming (MSR) over nickel phosphide catalysts using density functional theory (DFT) calculations. The catalytic behavior of Ni(111) and Ni12P5(001) surfaces was explored and contrasted to our previous results from research on Ni2P(001). The DFT-predicted barriers reveal that Ni(111) predominantly favors the methanol decomposition route, where methanol is converted into carbon monoxide through a stepwise pathway involving CH3OH* → CH3O* → CH2O* → CHO* → CO*. On the other hand, Ni12P5 with a P:Ni atomic ratio of 0.42 (5:12) exhibits a substantial increase in selectivity towards methanol steam reforming (MSR) relative to methanol decomposition. In this pathway, formaldehyde is transformed into CO2 through a sequence of reactions involving CH2O*→ H2COOH* → HCOOH* → HCOO* → CO2. The introduction of phosphorus into the catalyst alters the surface morphology and electronic structure, favoring the MSR pathway. However, with a further increase in the P:Ni atomic ratio to 0.5 (1:2) on Ni2P catalysts, the selectivity towards MSR decreases, resulting in a more balanced competition between methanol decomposition and MSR. These results highlight the significance of tuning the P:Ni atomic ratio in designing efficient catalysts for the selective production of CO2 through the MSR route, offering valuable insights into optimizing nickel phosphide catalysts for desired chemical transformations. Full article
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20 pages, 8324 KB  
Review
Hemetsberger–Knittel and Ketcham Synthesis of Heteropentalenes with Two (1:1), Three (1:2)/(2:1) and Four (2:2) Heteroatoms
by Zita Tokárová, Renáta Gašparová, Natália Kabaňová, Marcela Gašparová and Róbert Balogh
Reactions 2023, 4(2), 254-273; https://doi.org/10.3390/reactions4020015 - 8 May 2023
Cited by 2 | Viewed by 2954
Abstract
The synthetic methods leading to furo[3,2-b]pyrroles and thiazolo [5,4-d]thiazoles are reviewed herein. Furo-, thieno- and seleno [3,2-b]pyrroles are related to heteropentalenes, containing two heteroatoms in the entire structure, one each per core. The synthetic approach follows the [...] Read more.
The synthetic methods leading to furo[3,2-b]pyrroles and thiazolo [5,4-d]thiazoles are reviewed herein. Furo-, thieno- and seleno [3,2-b]pyrroles are related to heteropentalenes, containing two heteroatoms in the entire structure, one each per core. The synthetic approach follows the Hemetsberger–Knittel protocol covering three reaction steps—the nucleophilic substitution of halogen-containing aliphatic carboxylic acid esters, Knoevenagel condensation and, finally, thermolysis promoting the intramolecular cyclocondensation to O,N-heteropentalene. The Hemetsberger–Knittel reaction sequence is also known for the preparation of O,N-heteropentalenes with three heteroatoms (2:1) and their sulphur and selen heteroatoms containing structural analogues and bispyrroles. The synthetic approach towards thiazolo [5,4-d] thiazoles represents a more straightforward route, according to the Ketcham cyclocondensation. Proceeding with the Ketcham process is more challenging since it occurs stepwise and the formation of by-products is obvious. Thiazolo [5,4-d]thiazole is a representative of the aromatic heteropentalene with four heteroatoms in the structure—twinned N and S, two for each of the five-membered rings. The synthetic approaches towards those particular heteropentalnes have been chosen as a consequence of our ongoing research dealing with the design, synthesis and applications of substituted furo [3,2-b]pyrroles and thiazolo [5,4-d]thiazole-based derivatives. While the furopyrroles are known for their pharmacological activity, thiazolothiazoles have become of interest to materials science. We are aware that from a “bank” of existing compounds/procedures not all are presented in this review, and we apologise to respective groups whose research have not been objectively included. Full article
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15 pages, 3380 KB  
Article
Research on Water Quality Assessment Using the Water Quality Index for the Eastern Route of the South-to-North Water Diversion Project
by Xiaochen Yang, Jinjin Li, Xiaobo Liu, Jijun Gao, Fei Dong, Aiping Huang, Yang Lei, Wei Wang, Zhiyuan Tong and Jiajia Long
Water 2023, 15(5), 842; https://doi.org/10.3390/w15050842 - 21 Feb 2023
Cited by 7 | Viewed by 4910
Abstract
The South-to-North Water Diversion Project’s Eastern Route (SNWDPC-ER) has drawn a lot of attention as one of China’s most significant water diversion projects. This study calculated the water quality index (WQI) to analyze the spatial and temporal characteristics of water quality in the [...] Read more.
The South-to-North Water Diversion Project’s Eastern Route (SNWDPC-ER) has drawn a lot of attention as one of China’s most significant water diversion projects. This study calculated the water quality index (WQI) to analyze the spatial and temporal characteristics of water quality in the study area as well as the effects of water diversion, and developed the minimum water quality index (WQImin) model based on stepwise multiple linear regression, using data from 56 monitoring stations along the delivery canal of the SNWDPC-ER (the SNWDPC-delivery ER’s canal) from 2014 to 2018. Here are the findings: (1) The water quality state was rated as “good” and the annual average value of WQI climbed year over year along with improvements in water quality. (2) There was a clear difference in water quality across time and space, with autumn having better water quality than other seasons and the south having better water quality than the north. (3) Water quality is impacted by water diversion; throughout the era of diversion, water quality was steadier. (4) The weighted WQImin model, which is a quick and inexpensive way to assess water quality, can be used to evaluate the water quality in the SNWDPC-delivery ER’s canal. The model’s parameters are DO, NH3-N, BOD5, and TN. Full article
(This article belongs to the Section Water Quality and Contamination)
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