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The dense active matter exhibits characteristics reminiscent of traditional glassy phenomena, yet the role of rotational inertia in glass dynamics remains elusive. In this study, we investigate the glass dynamics of chiral active particles influenced by rotational inertia. Rotational inertia endows exponential memory to particle orientation, restricting its alteration and amplifying the effective persistence time. At lower spinning frequencies, the diffusion coefficient exhibits a peak function relative to rotational inertia for shorter persistence times, while it steadily increases with rotational inertia for longer persistence times. In the realm of high-frequency spinning, the impact of rotational inertia on diffusion behavior becomes more pronounced, resulting in a nonmonotonic and intricate relationship between the diffusion coefficient and rotational inertia. Consequently, the introduction of rotational inertia significantly alters the glassy dynamics of chiral active particles, allowing for the control over transitions between fluid and glassy states by modulating rotational inertia. Moreover, our findings indicate that at a specific spinning temperature, there exists an optimal spinning frequency at which the diffusion coefficient attains its maximum value.
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Cerasus humilis, a small shrub of the Cerasus genus within the Rosaceae family, is native to China and renowned for its highly nutritious and medicinal fruits, robust root system, and remarkable drought resistance. This study primarily employed association transcriptome and metabolome analyses to assess changes in abscisic acid (ABA) levels and identify key regulatory genes in C. humilis subjected to varying degrees of drought stress. Notably, we observed distinct alterations in transcription factors across different drought intensities. Specifically, our transcriptome data indicated noteworthy shifts in GATA, MYB, MYC, WRKY, C2H2, and bHLH transcription factor families. Furthermore, combined transcriptomic and metabolomic investigations demonstrated significant enrichment of metabolic pathways, such as 'Carbon metabolism', 'Biosynthesis of amino acids', 'Biosynthesis of cofactors', 'Phenylpropanoid biosynthesis', 'Starch and sucrose metabolism', and 'Plant hormone signal transduction' under moderate (Mod) or severe (Sev) drought conditions. A total of 11 candidate genes involved in ABA biosynthesis and signaling pathways were identified. The down-regulated genes included secoisolariciresinol dehydrogenase-like and PYL2. Conversely, genes including FAD-dependent urate hydroxylase-like, cytochrome P450 97B2, carotenoid cleavage dioxygenase 4 (CCD4), SnRK2.2, ABI 5-like protein 5, PP2C 51, and SnRK2.3, were up-regulated under Mod or Sev drought stress. This study lays the genetic foundation for ABA biosynthesis to enhance drought tolerance and provides genetic resources for plant genetic engineering and breeding efforts.
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Ácido Abscísico , Secas , Regulação da Expressão Gênica de Plantas , Estresse Fisiológico , Transcriptoma , Ácido Abscísico/metabolismo , Estresse Fisiológico/genética , Proteínas de Plantas/genética , Proteínas de Plantas/metabolismo , Metaboloma/genética , Fatores de Transcrição/genética , Fatores de Transcrição/metabolismo , Metabolômica/métodos , Perfilação da Expressão GênicaRESUMO
In this investigation, we conducted a detailed analysis of the oxidation of 16 imidazole ionic liquid variants by Fe(VI) under uniform experimental setups, thereby securing a dataset of second-order reaction rate constants (kobs). This methodology ensures superior data consistency and comparability over traditional methods that amalgamate disparate data from varied studies. Utilizing 16 chemical structural parameters obtained via Density Functional Theory (DFT) as descriptors, we developed a Quantitative Structure Activity Relationship (QSAR) model. Through rigorous correlation analysis, Principal Component Analysis (PCA), Multiple Linear Regression (MLR), and Applicability Domain (AD) evaluation, we identified a pronounced negative correlation between the molecular orbital gap energy (Egap) and kobs. MLR analysis further underscored Egap as a pivotal predictive variable, with its lower values indicating heightened oxidative reactivity towards Fe(VI) in the ionic liquids, leading the QSAR model to achieve a predictive accuracy of 0.95. Furthermore, we integrated an advanced machine learning approach - Random Forest Regression (RFR), which adeptly highlighted the critical factors influencing the oxidation efficiency of imidazole ionic liquids by Fe(VI) through elaborate decision trees, feature importance assessment, Recursive Feature Elimination (RFE), and cross-validation strategies. The RFR model demonstrated a remarkable predictive performance of 0.98. Both QSAR and RFR models pinpointed Egap as a key descriptor significantly affecting oxidation efficiency, with the RFR model presenting lower root mean square errors, establishing it as a more reliable predictive tool. The application of the RFR model in this study significantly improved the model's stability and the intuitive display of key influencing factors, introducing promising advanced analytical tools to the field of environmental chemistry.
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Soil contamination of polycyclic aromatic hydrocarbons (PAHs), especially caused by the mixture of two or more PAHs, raised great environmental concerns. However, research on the migration and transformation processes of PAHs in soils and their interactions with native communities is limited. In this work, soil samples from uncontaminated sites around the industrial parks in Handan, Hengshui, and Shanghai were artificially supplemented with three concentrations of anthracene (Ant), 9-chloroanthracene (9-ClAnt), benzopyrene (BaP), and chrysene (Chr). Ryegrass was planted to investigate the degradation of PAHs and its interaction with native soil organisms in the constructed ryegrass-microbe-soil microcosmic system. The bacterial and fungal communities in soil were affected by PAHs; their species diversity and relative abundance changed after exposure to different concentrations of PAHs, among which Lysobacter, Bacillus, Pseudomonas, and Massilia bacteria were correlated to the degradation of PAHs. On the 56th day, the contents of BaP, Chr, and Ant decreased with the degradation process, while the degradation of 9-ClAnt was limited. Nineteen intermediates, including hydroxylation and carboxylated compounds, were identified. The present research would help clarify the potential interactions between PAHs and native organisms in contaminated sites, providing fundamental information for evaluating the transformation risks of PAHs in the natural environment.
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The dynamic behaviors, specifically trapping and sorting, of active particles interacting with periodic substrates have garnered significant attention. This study investigates numerically the trapping of soft, deformable particles on a periodic potential substrate, which can be experimentally verified through optical tweezers. The research demonstrates that multiple factors, including the relative size of traps, self-propelled velocity, shape parameters, ratio of particles to traps, and translational diffusion, can influence the trapping effect. Within certain parameter boundaries, it is shown that all particles can be consistently trapped. The research reveals that stable trapping typically occurs at median values of the relative trap size. An increase in the self-propelled velocity, the shape parameter, and the translational diffusion coefficient tends to facilitate the escapement of the particles from the traps. It is noteworthy that particles with larger shape parameters can escape even when the restoring force exceeds the self-propelled force. In addition, as the ratio of particles to traps grows, the fraction of trapped particles steadily reduces. Notably, rigid particles are consistently divided and trapped by traps closely approximating an integer multiple of the particles' area, up until the ratio reaches the aforesaid integer value. These findings can potentially enhance the understanding of the interactive effects between active deformable particles and periodic substrates. Moreover, this work suggests a different experimental approach to sort active particles based on rigidity disparities.
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Decachlorobiphenyl (PCB-209) can be widely detected in suspended particles and sediments due to its large hydrophobicity, and some of its transformation products may potentially threaten organisms through the food chain. Here we investigate the photochemical transformation of PCB-209 on suspended particles from the Yellow River. It was found that the suspended particles had an obvious shielding effect to largely inhibit the photodegradation of PCB-209. Meanwhile, the presence of inorganic ions (e.g. Mg2+ and NO3-) and organic matters (e.g. humic acid, HA) in the Yellow River water inhibited the reaction. The main transformation products of PCB-209 were lower-chlorinated and hydroxylated polychlorinated biphenyls (OH-PCBs), and small amounts of pentachlorophenol (PCP) and polychlorinated dibenzofurans (PCDFs) were also observed. The mechanisms of PCP formation by double â¢OH attacking carbon bridge and PCDFs formation by elimination reaction of ionic state OH-PCBs were proposed using theoretical calculations, which provided some new insights into the inter-transformations between persistent organic pollutants. In combination with VEGA and EPI Suite software, some intermediates such as PCDFs were more toxic to organisms than PCB-209. This study deepens the understanding of the transformation behavior of PCB-209 on suspended particles under sunlight.
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Hypochlorite (ClO-), as the main component of widely used disinfectants in daily life, comes into closer contact with the human body, which can lead to a number of diseases. The high-performance method is increasingly needed to detect ClO- in our daily life. In this report, we successfully synthesized a FRET ratiometric fluorescent probe (NDAC) containing benzoxadiazole moieties and coumarin moieties bound via ethylenediamine. As expected, NDAC has excellent selectivity and anti-interference ability toward ClO-, and the ratio of fluorescence intensity (I471 nm/I533 nm) has a very good linear relationship with the concentration of ClO-, with a wide linear range (2.5-1750 µM) and low detection limit (0.887 µM). Furthermore, we have successfully applied it for the quantitative detection of ClO- in water samples in daily life. At the same time, there is a very clear change in the fluorescence color after the reaction of the NDAC with ClO-. The blue/green value (B/G) of this color change also shows a very good linear relationship to ClO- (5.0-1000 µM). Therefore, the NDAC has also been successfully used for test strip detection and quantitative detection of ClO- in actual samples through smartphone-based fluorescence image analysis, and this method can provide faster, more convenient and more accessible detection. In addition, NDAC sensors also have potential applications in the field of information anti-counterfeiting.
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Colorimetria , Transferência Ressonante de Energia de Fluorescência , Corantes Fluorescentes , Ácido Hipocloroso , Corantes Fluorescentes/química , Corantes Fluorescentes/síntese química , Ácido Hipocloroso/análise , Transferência Ressonante de Energia de Fluorescência/métodos , Colorimetria/métodos , Limite de Detecção , Humanos , Desinfetantes/análise , Cumarínicos/químicaRESUMO
Developing efficient and low-cost photocatalytic materials is essential for removing polychlorinated biphenyls (PCBs). In this work, the photodegradation process of fourteen representative polychlorinated biphenyls (PCBs) in both water/nitrogen-doped SiO2 (N-SiO2) and air/N-SiO2 systems was studied. The photodegradation kinetics of PCBs is consistent with the pseudo-first-order kinetic equation. The variation in the degradation effects of different PCBs in the two systems is primarily related to the position of the Cl substituent and the effective absorption wavelength range of PCBs. A total of fourteen intermediates for 4'-Dichlorobiphenyl (PCB-15), 2,2',4,4',6,6'-Hexachlorobiphenyl (PCB-155), and 2,2',3,3',4,4',5,5',6,6'-Decachlorobiphenyl (PCB-209) generated from four reaction pathways were identified based on both mass spectrometry analysis and theoretical calculations. Using the values of lnk (k denotes pseudo-first-order kinetic constants) for the 11 PCBs in the training set and the calculated molecular and structural parameters, quantitative structure-activity relationship (QSAR) models for the two systems were constructed by using multiple linear regression (MLR) method to better understand the factors affecting the photodegradation rate of PCBs. The QSAR equations were obtained with Cl atom substitution at position 3 (N3) as the main parameter, which were lnk = -1.98 - 0.19 N3 for the water/N-SiO2 system and lnk = -1.56 - 0.34 N3 for the air/N-SiO2 system, with the correlation coefficient (R2) of 0.66 and 0.73, leave-one-out cross-validation (Q2LOO) of 0.51 and 0.59, respectively, and bootstrapping validation coefficients (Q2BOOT) values of both 0.74, confirming that the models were well fitted and showed high robustness and prediction ability. This study provides valuable insights into photocatalytic degradation studies of PCBs.
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Considering that waste incineration fly ash is the main carrier of dioxins and can migrate over long distances in the atmosphere, it is of great significance to study the photochemical transformation behavior of dioxins on the surface of fly ash. In this work, 2-chlorodibenzo-p-dioxin (2-CDD) was selected to conduct a systematic photochemical study. The influence of various factors on the photodegradation of 2-CDD were first explored, and the results showed that small particle size of fly ash, low concentration of 2-CDD and appropriate level of humidity were more conducive to photodegradation, with the highest degradation percentage reaching 76%-84%. The components of fly ash (Zn (â ¡), Al (â ¢), Cu (â ¡) and SiO2) also had a certain promoting effect on the degradation of 2-CDD, which increases the degradation efficiency by 10%-20%, because they could act as effective photocatalysts to produce free radicals for reaction. With a higher total light exposure intensity, natural light environments led to a more complete degradation of 2-CDD than laboratory Xe lamp irradiation (90% degradation Vs. 79% degradation). Based on chemical probe and radical quenching experiment, hydroxyl radical also contributed to 2-CDD photodegradation on fly ash. A total of 16 intermediate products were detected by mass spectrometry analysis, and four initial reaction pathways of 2-CDD were speculated in the process, including dechlorination, ether bond cleavage, hydroxyl substitution, and hydroxyl addition. According to the results of density functional theory calculation, the reaction channels of ether bond cleavage and â¢OH attack were determined. The toxicity assessment software tool (TEST) was used to assess the toxicity and bioconcentration coefficient of reaction products, and it was found that the overall toxicity of the photodegradation products was reduced. This study would provide new insights into the environmental fate of dioxins during long-range atmospheric migration process.
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Dioxinas , Metais Pesados , Eliminação de Resíduos , Resíduos Sólidos/análise , Dioxinas/análise , Cinza de Carvão/análise , Fotólise , Dióxido de Silício , Incineração/métodos , Éteres , Eliminação de Resíduos/métodos , Carbono/química , Metais Pesados/análiseRESUMO
Polycyclic aromatic hydrocarbons (PAHs) have attracted much attention because of their widespread existence and toxicity. Photodegradation is the main natural decay process of PAHs in soil. The photodegradation kinetics of benzopyrene (BaP) on 16 kinds of soils and 10 kinds of PAHs on Hebei (HE) soil were studied. The results showed that BaP had the highest degradation rate in Shaanxi (SN) soil (kobs = 0.11 min-1), and anthracene (Ant) was almost completely degraded after 16 h of irradiation in HE soil. Two quantitative structure-activity relationship (QSAR) models were established by the multiple linear regression (MLR) method. The developed QSAR models have good stability, robustness and predictability. The model revealed that the main factors affecting the photodegradation of PAHs are soil organic matter (SOM) and the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital (Egap). SOM can function as a photosensitizer to induce the production of active species for photodegradation, thus favoring the photodegradation of PAHs. In addition, compounds with lower Egap are less stable and more reactive, and thus are more prone to photodegradation. Finally, the QSAR model was optimized using machine learning approach. The results of this study provide basic information on the photodegradation of PAHs and have important significance for predicting the environmental behavior of PAHs in soil.
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Hidrocarbonetos Policíclicos Aromáticos , Poluentes do Solo , Hidrocarbonetos Policíclicos Aromáticos/análise , Solo , Relação Quantitativa Estrutura-Atividade , Fotólise , Poluentes do Solo/análiseRESUMO
Oil spills are a global environmental protection challenge, and traditional adsorption materials have poor effect on low temperature and high viscosity marine oil spills. This article reports composite adsorption materials TDA/rGO@WS for viscous oil spills: loaded with rGO/TDA coating on a commercial biomass wood pulp sponge (WS), achieving Joule heating, photothermal effect and hydrophobic modification. The results showed that the TDA/rGO@WS has good photothermal conversion ability and Joule heating ability, and the temperature increased to 83.7 °C and 148 °C, respectively, under simulated solar irradiation and additional voltage at room temperature. The efficiency of adsorption at a low temperature of 5 °C increased by 22.41% at 1 sun and by 51.53% at 10 V. Temperature effectively reduced the viscosity of the offshore oil spill and ensures the efficient adsorption of oil spills at low temperatures promoted. The TDA/rGO@WS also showed good hydrophobicity (WCA=129°), excellent efficiency of water-oil separation (99.53%) and good adsorption capacity (9.4-13.68 g/g) for marine fuel oils. TDA/rGO@WS effectively solves the problem of cleaning up high-viscosity oil spills from ships in winter and polar waters, and proposes a new strategy for all-weather efficient treatment of oil spills at sea.
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Objective: This study aimed to analyze the diagnostic efficacy of serum biomarkers in liver cirrhosis patients categorized by Child-Pugh scores. Methods: An observational cross-sectional study design was employed. A total of 110 liver cirrhosis patients, classified according to Child-Pugh scores and 60 healthy individuals were included in this study. Serum levels of adenosine deaminase (ADA), adiponectin (APN), matrix metalloproteinase-2 (MMP-2), alkaline phosphatase (ALP), alanine aminotransferase (ALT), and aspartate aminotransferase (AST) were measured. Results: The levels of ADA, APN, MMP-2, ALP, ALT, and AST were significantly higher in the study group compared to the control group (P < .05). Furthermore, these levels increased with the severity of liver cirrhosis, with higher levels observed in patients with Child-Pugh class C. The positive diagnostic rates for joint detection in Child-Pugh class A, B, and C were 93.75% (30/32), 100% (34/34), and 100% (44/44), respectively. Conclusions: Combined detection of serum biomarkers improves the diagnostic efficacy of liver cirrhosis. The diagnostic rates were higher when considering Child-Pugh scores, with the highest rates observed in class C.