Search Results (2,906)

Constrained multi-objective optimization problems (CMOPs) require optimizing multiple conflicting objectives while satisfying complex constraints. These constraints generate infeasible regions that challenge traditional algorithms in balancing feasibility and Pareto frontier diversity. chemical reaction optimization (CRO) effectively balances global exploration and local exploitation through molecular collision reactions and energy management, thereby enhancing search efficiency. However, standard CRO variants often struggle with CMOPs due to the absence of specialized constraint-handling mechanisms. To address these challenges, this paper integrates the CRO collision reaction mechanism with an existing evolutionary computational framework to design a dual-stage and dual-population chemical reaction optimization (DDCRO) algorithm. This approach employs a staged optimization strategy, which divides population evolution into two phases. The first phase focuses on objective optimization to enhance population diversity, and the second prioritizes constraint satisfaction to accelerate convergence toward the constrained Pareto front. Furthermore, to leverage the infeasible solutions’ guiding potential during the search, DDCRO adopts a two-population strategy. At each stage, the main population tackles the original constrained problem, while the auxiliary population addresses the corresponding unconstrained version. A weak complementary mechanism facilitates information sharing between populations, which enhances search efficiency and algorithmic robustness. Comparative tests on multiple test suites reveal that DDCRO achieves optimal IGD/HV values in 53% of test problems. The proposed algorithm outperforms other state-of-the-art algorithms in both convergence and population diversity. Full article

The development of miniaturized sensors has become relevant for the detection of chemical/biological substances, since they use and detect low concentrations, such as flocculants based on amines for the mining industry. In this study, buckypaper (BP) films based on carboxylic acid functionalized multi-walled carbon nanotubes (f-MWCNTs) were produced through vacuum filtration on cellulose filter paper to carry out sensory function in samples containing ether-amine (volumes: 1%, 5%, 10% and 100%). The morphological characterization of the BPs by scanning electron microscopy showed f-MWCNT aggregates randomly distributed on the cellulose fibers. Vibrational analysis by Raman spectroscopy indicated bands and sub-bands referring to f-MWCNTs and vibrational modes corresponding to chemical bonds present in the ether-amine (EA). The electrical responses of the BP to the variation in analyte concentration showed that the sensor differentiates deionized water from ether-amine, as well as the various concentrations present in the different analytes, exhibiting response time of 3.62 ± 0.99 min for the analyte containing 5 vol.% EA and recovery time of 21.16 ± 2.35 min for the analyte containing 10 vol.% EA, revealing its potential as a real-time response chemiresistive sensor. Full article

Soil testing has long been used to optimize fertilization and crop production. More recently, soil health testing has emerged to reflect the growing interest in soil multifunctionality and ecosystem services. Soil health encompasses physical, chemical, and biological properties that support ecosystem functions and sustainable agriculture. Despite its relevance to several United Nations Sustainable Development Goals (SDGs 1, 2, 3, 6, 12, 13, and 15), comprehensive soil health testing is not widely practiced due to complexity and cost. The aim of the study presented here was to contribute to the further development, implementation, and testing of an integrated procedure for soil health assessment in practice. We developed and tested a rapid, standardized soil health assessment tool that combines near-infrared spectroscopy (NIRS) and multi-nutrient 0.01 M CaCl₂ extraction with Inductive Coupled Plasma Mass Spectroscopy analysis. The tool evaluates a wide range of soil characteristics with high accuracy (R² ≥ 0.88 for most parameters) and has been evaluated across more than 15 countries, including those in Europe, China, New Zealand, and Vietnam. The results are compiled into a soil health indicator report with tailored management advice and a five-level ABCDE score. In a Dutch test set, 6% of soils scored A (optimal), while 2% scored E (degraded). This scalable tool supports land users, agrifood industries, and policymakers in advancing sustainable soil management and evidence-based environmental policy. Full article

The escalating global challenges of antimicrobial resistance (AMR) and cancer necessitate innovative therapeutic solutions from natural sources. This study investigated the multifaceted therapeutic potential of pigment-enriched plant extracts. We screened diverse plant extracts for antimicrobial and antibiofilm activity against multidrug-resistant bacteria and fungi. Hibiscus sabdariffa emerged as the most promising, demonstrating potent broad-spectrum antimicrobial and significant antibiofilm activity. Sub-inhibitory concentrations of H. sabdariffa robustly downregulated essential bacterial virulence genes and suppressed aflatoxin gene expression. Comprehensive chemical profiling via HPLC identified major anthocyanin glucosides, while GC-MS revealed diverse non-pigment bioactive compounds, including fatty acids and alcohols. Molecular docking suggested favorable interactions of key identified compounds (Cyanidin-3-O-glucoside and 1-Deoxy-d-arabitol) with E. coli outer membrane protein A (OmpA), indicating potential antiadhesive and antimicrobial mechanisms. Furthermore, H. sabdariffa exhibited selective cytotoxicity against MCF-7 breast cancer cells. These findings establish H. sabdariffa pigment-enriched extract as a highly promising, multi-functional source of novel therapeutics, highlighting its potential for simultaneously addressing drug resistance and cancer challenges through an integrated chemical, biological, and computational approach. Full article

Precise odor source localization in turbulent and sparse environments plays a vital role in enabling robotic systems for hazardous chemical monitoring and effective disaster response. To address this, we propose Cooperative Gravitational-Rényi Infotaxis (CGRInfotaxis), a distributed decision-optimization framework that combines multi-agent collaboration with hybrid cognitive strategy to improve search efficiency and robustness. The method integrates a gravitational potential field for rapid source convergence and Rényi divergence-based probabilistic exploration to handle sparse detections, dynamically balanced via a regulation factor. Particle filtering optimizes posterior probability estimation to autonomously refine search areas while preserving computational efficiency, alongside a distributed interactive-optimization mechanism for real-time decision updates through agent cooperation. The algorithm’s performance is evaluated in scenarios with fixed and randomized odor source locations, as well as with varying numbers of agents. Results demonstrate that CGRInfotaxis achieves a near-100% success rate with high consistency across diverse conditions, outperforming existing methods in stability and adaptability. Increasing the number of agents further enhances search efficiency without compromising reliability. These findings suggest that CGRInfotaxis significantly advances multi-agent odor source localization in turbulent, sparse environments, offering practical utility for real-world applications. Full article

The Maillard reaction refers to the reaction between carbonyl compounds with reducing properties and amino-containing compounds that undergo condensation and polymerization to produce melanoidins. In flour product processing, the Maillard reaction is a critical chemical reaction influencing color, flavor, nutrition, and safety. A moderate Maillard reaction contributes to desirable color and flavor profiles in flour products, whereas an excessive reaction leads to amino acid loss and the formation of harmful substances, posing potential health risks. This review summarizes the substrate sources, reaction stages, influencing factors, impact on quality, and mitigation strategies of harmful products, aiming to provide a reference for regulating the Maillard reaction in flour product processing. Currently, most existing mitigation strategies focus on inhibiting harmful products, while research on the synergistic optimization of color and flavor remains insufficient. Future research should focus on elucidating the molecular mechanisms of reaction pathways, understanding multi-factor synergistic effects, and developing composite regulation technologies to balance the sensory quality and safety of flour products. Full article

Polyvinyl chloride (PVC) is commonly employed as mulch in agriculture to boost crop yields. However, its toxicity is often overlooked. Due to its chemical stability, resistance to degradation, and the inadequacy of the recycling system, PVC tends to persist in farm environments, where it can decompose into microplastics (MPs) or nanoplastics (NPs). The radish (Raphanus sativus L.) was chosen as the model plant for this study to evaluate the underlying toxic mechanisms of PVC NPs on seedling growth through the integration of multi-omics approaches with oxidative stress evaluations. The results indicated that, compared with the control group, the shoot lengths in the 5 mg/L and 150 mg/L treatment groups decreased by 33.7% and 18.0%, respectively, and the root lengths decreased by 28.3% and 11.3%, respectively. However, there was no observable effect on seed germination rates. Except for the peroxidase (POD) activity in the 150 mg/L group, all antioxidant enzyme activities and malondialdehyde (MDA) levels were higher in the treated root tips than in the control group. Both transcriptome and metabolomic analysis profiles showed 2075 and 4635 differentially expressed genes (DEGs) in the high- and low-concentration groups, respectively, and 1961 metabolites under each treatment. PVC NPs predominantly influenced seedling growth by interfering with plant hormone signaling pathways and phenylpropanoid production. Notably, the reported toxicity was more evident at lower concentrations. This can be accounted for by the plant’s “growth-defense trade-off” strategy and the manner in which nanoparticles aggregate. By clarifying how PVC NPs coordinately regulate plant stress responses via hormone signaling and phenylpropanoid biosynthesis pathways, this research offers a scientific basis for assessing environmental concerns related to nanoplastics in agricultural systems. Full article

Background: Acute mountain sickness (AMS) is a prevalent and potentially life-threatening condition caused by rapid exposure to high-altitude hypoxia, affecting pulmonary and neurological functions. Tongqiao Jiuxin Oil (TQ), a traditional Chinese medicine formula composed of aromatic and resinous ingredients such as sandalwood, agarwood, frankincense, borneol, and musk, has been widely used in the treatment of cardiovascular and cerebrovascular disorders. Clinical observations suggest its potential efficacy against AMS, yet its pharmacological mechanisms remain poorly understood. Methods: The chemical profile of TQ was characterized using UHPLC-Q-Exactive Orbitrap HRMS. Network pharmacology was applied to predict the potential targets and pathways involved in AMS. A rat model of AMS was established by exposing animals to hypobaric hypoxia (~10% oxygen), simulating an altitude of approximately 5500 m. TQ was administered at varying doses. Physiological indices, oxidative stress markers (MDA, SOD, GSH), histopathological changes, and the expression of hypoxia- and apoptosis-related proteins (HIF-1α, VEGFA, EPO, Bax, Bcl-2, Caspase-3) in lung and brain tissues were assessed. Results: A total of 774 chemical constituents were identified from TQ. Network pharmacology predicted the involvement of multiple targets and pathways. TQ significantly improved arterial oxygenation and reduced histopathological damage in both lung and brain tissues. It enhanced antioxidant activity by elevating SOD and GSH levels and reducing MDA content. Mechanistically, TQ downregulated the expression of HIF-1α, VEGFA, EPO, and pro-apoptotic markers (Bax/Bcl-2 ratio, Caspase-3), while upregulated Bcl-2, the anti-apoptotic protein expression. Conclusions: TQ exerts protective effects against AMS-induced tissue injury by improving oxygen homeostasis, alleviating oxidative stress, and modulating hypoxia-related and apoptotic signaling pathways. This study provides pharmacological evidence supporting the potential of TQ as a promising candidate for AMS intervention, as well as the modern research method for multi-component traditional Chinese medicine. Full article

Elevated extracellular potassium (K⁺) in the tumor microenvironment (TME) of breast and other cancers is increasingly recognized as a critical factor influencing tumor progression and immune suppression. Current methods for noninvasive mapping of the potassium distribution in tumors are limited. Here, we employed photoacoustic chemical imaging (PACI) with a solvatochromic dye-based, potassium-sensitive nanoprobe (SDKNP) to quantitatively visualize extracellular potassium levels in an orthotopic metaplastic breast cancer mouse model, Ccn6-KO. Tumors of three distinct sizes (5 mm, 10 mm, and 20 mm) were imaged using multi-wavelength photoacoustic imaging at five laser wavelengths (560, 576, 584, 605, and 625 nm). Potassium concentration maps derived from spectral unmixing of the photoacoustic images at the five laser wavelengths revealed significantly increased potassium levels in larger tumors, confirmed independently by inductively coupled plasma mass spectrometry (ICP-MS). The PACI results matched ICP-MS measurements, validating PACI as a robust, noninvasive imaging modality for potassium mapping in tumors in vivo. This work establishes PACI as a promising tool for studying the chemical properties of the TME and provides a foundation for future studies evaluating the immunotherapy response through ionic biomarker imaging. Full article

Accurate delineation of within-field management zones (MZs) is essential for implementing precision agriculture, particularly in spatially heterogeneous environments. This study evaluates the spatiotemporal consistency and practical value of MZs derived from three complementary data sources: electromagnetic conductivity (EM38-MK2), basic soil chemical properties (pH, humus, P₂O₅, K₂O, nitrogen), and vegetation/surface indices (NDVI, SAVI, LCI, BSI) derived from Sentinel-2 imagery. Using kriging, fuzzy k-means clustering, percentile-based classification, and Weighted Overlay Analysis (WOA), MZs were generated for a five-year period (2018–2022), with 2–8 zone classes. Stability and agreement were assessed using the Cohen Kappa, Jaccard, and Dice coefficients on systematic grid samples. Results showed that EM38-MK2 and humus-weighted BSP data produced the most consistent zones (Kappa > 0.90). Sentinel-2 indices demonstrated strong alignment with subsurface data (r > 0.85), offering a low-cost alternative in data-scarce settings. Optimal zoning was achieved with 3–4 classes, balancing spatial coherence and interpretability. These findings underscore the importance of multi-source data integration for robust and scalable MZ delineation and offer actionable guidelines for both data-rich and resource-limited farming systems. This approach promotes sustainable agriculture by improving input efficiency and allowing for targeted, site-specific field management. Full article

The Shenhu sea area is rich in unconsolidated hydrate reserves, but the formation mineral particles are small, the rock cementation is weak, and the coupling mechanism of hydrate phase change, fluid seepage, and formation deformation is complex, resulting in unclear productivity change law under depressurization exploitation. Therefore, a thermal–fluid–solid–chemical coupling model for natural gas hydrate depressurization exploitation in the Shenhu sea area was constructed to analyze the variation law of reservoir parameters and productivity. The results show that within 0–30 days, rapid near-well pressure drop (13.83→9.8 MPa, 36.37%) drives peak gas production (25,000 m³/d) via hydrate dissociation, with porosity (0.41→0.52) and permeability (75→100 mD) increasing. Within 30–60 days, slower pressure decline (9.8→8.6 MPa, 12.24%) and fines migration cause permeability fluctuations (120→90 mD), reducing gas production to 20,000 m³/d. Within 60–120 days, pressure stabilizes (~7.6 MPa) with residual hydrate saturation < 0.1, leading to stable low permeability (60 mD) and gas production (15,000 m³/d), with cumulative production reaching 2.2 × 10⁶ m³. This study clarifies that productivity is governed by coupled “pressure-driven dissociation–heat limitation–fines migration” mechanisms, providing key insights for optimizing depressurization strategies (e.g., timed heat supplementation, anti-clogging measures) to enhance commercial viability of unconsolidated hydrate reservoirs. Full article

A scalable synthesis of two-dimensional titanium nitride chloride (TiNCl) via flash Joule heating (FJH) using titanium tetrachloride (TiCl₄) precursor has been developed. This single-step method overcomes traditional synthesis challenges, including high energy consumption, multi-step procedures, and hazardous reagent requirements. The structural and chemical properties of the synthesized TiNCl were characterized through multiple analytical techniques. X-ray diffraction (XRD) patterns confirmed the presence of TiNCl phase, while Raman spectroscopy data showed no detectable oxide impurities. Fourier transform infrared spectroscopy (FTIR) analysis revealed characteristic Ti–N stretching vibrations, further confirming successful titanium nitride synthesis. Transmission electron microscopy (TEM) imaging revealed thin, plate-like nanostructures with high electron transparency. These analyses confirmed the formation of highly crystalline TiNCl flakes with nanoscale dimensions and minimal structural defects. The material exhibits excellent structural integrity and phase purity, demonstrating potential for applications in photocatalysis, electronics, and energy storage. This work establishes FJH as a sustainable and scalable approach for producing MXenes with controlled properties, facilitating their integration into emerging technologies. Unlike conventional methods, FJH enables rapid, energy-efficient synthesis while maintaining material quality, providing a viable route for industrial-scale production of two-dimensional materials. Full article

The shikimate pathway is the fundamental metabolic route for aromatic amino acid biosynthesis in bacteria, plants, and fungi, but is absent in mammals. This review explores how multi-enzyme synergy and allosteric regulation coordinate metabolic flux through this pathway by focusing on three key enzymes: 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase, chorismate mutase, and tryptophan synthase. We examine the structural diversity and distribution of these enzymes across evolutionary domains, highlighting conserved catalytic mechanisms alongside species-specific regulatory adaptations. The review covers directed evolution strategies that have transformed naturally regulated enzymes into standalone biocatalysts with enhanced activity and expanded substrate scope, enabling synthesis of non-canonical amino acids and complex organic molecules. Industrial applications demonstrate the pathway’s potential for sustainable production of pharmaceuticals, polymer precursors, and specialty chemicals through engineered microbial platforms. Additionally, we discuss the therapeutic potential of inhibitors targeting pathogenic organisms, particularly their mechanisms of action and antimicrobial efficacy. This comprehensive review establishes the shikimate pathway as a paradigmatic system where understanding allosteric networks enables the rational design of biocatalytic platforms, providing blueprints for biotechnological innovation and demonstrating how evolutionary constraints can be overcome through protein engineering to create superior industrial biocatalysts. Full article

The contamination of drinking water sources with selenium (Se) oxyanions, including selenite (Se(IV)) and selenate (Se(VI)), contains serious health hazards with an oral intake exceeding 400 µg/day and therefore requires urgent attention. Various natural and anthropogenic sources are responsible for high Se concentrations in aquatic environments. In addition, the chemical behavior and speciation of selenium can vary noticeably depending on the origin of the source water. The Se(VI) oxyanion is more soluble and therefore more abundant in surface water. Se levels in contaminated waters often exceed 50 µg/L and may reach several hundred µg/L, well above drinking water limits set by the World Health Organization (40 µg/L) and Germany (10 µg/L), as well as typical industrial discharge limits (5–10 µg/L). Overall, Se is difficult to remove using conventionally available physical, chemical, and biological treatment technologies. The recent literature has therefore highlighted promising advancements in Se removal using emerging technologies. These include advanced physical separation methods such as membrane-based treatment systems and engineered nanomaterials for selective Se decontamination. Additionally, other integrated approaches incorporating photocatalysis coupled adsorption processes, and bio-electrochemical systems have also demonstrated high efficiency in redox transformation and capturing of Se from contaminated water bodies. These innovative strategies may offer enhanced selectivity, removal, and recovery potential for Se-containing species. Here, a current review outlines the sources, distribution, and chemical behavior of Se in natural waters, along with its toxicity and associated health risks. It also provides a broad and multi-perspective assessment of conventional as well as emerging physical, chemical, and biological approaches for Se removal and/or recovery with further prospects for integrated and sustainable strategies. Full article

With the rising performance demands in road engineering, traditional experiments often fail to reveal the microscopic mechanisms behind asphalt behavior. Molecular dynamics (MD) simulation has emerged as a valuable complement, enabling molecular-level insights into asphalt’s composition, structure, and aging mechanisms. This review summarizes the recent advances in applying MD to asphalt research. It first outlines molecular model construction approaches, including average models, three- and four-component systems, and modified models incorporating SBS, SBR, PU, PE, and asphalt–aggregate interfaces. It then analyzes how MD reveals the key performance aspects—such as high-temperature stability, low-temperature flexibility, self-healing behavior, aging processes, and interfacial adhesion—by capturing the molecular interactions. While MD offers significant advantages, challenges remain: idealized modeling, high computational demands, limited chemical reaction simulation, and difficulties in multi-scale coupling. This paper aims to provide theoretical insights and methodological support for future studies on asphalt performance and highlights MD simulation as a promising tool in pavement material science. Full article