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A Cu-based catalyst, a developable catalyst in the acetylene hydrochlorination reaction, suffers from severe insufficient activity due to the reduction of Cun+sites under a C2H2atmosphere. In this work, we have developed a doped support strategy to maintain more than 90% of Cun+sites during the reaction via simply treating the mixture of melamine pyrophosphate and pristine activated carbon. Doped engineering for support plays dual positive roles in the acetylene hydrochlorination reaction: due to the interaction between Cu and doped sites, reduced C2H2molecules are easily desorbed at lower temperatures on the Cu sites to inhibit the reduction from Cun+to Cu0during the reaction. Besides, element-doped sites also provide more adsorption sites for reactant molecules to decrease the internal diffusion distance. Based on the above benefits, the optimal catalyst (Cu/N,P1/2-AC) achieved an initial C2H2conversion of 97.8%, and the activity loss of the catalyst was only 14.2% in the long-term stability test at 200 h. Finally, this strategy is extended by other two doped precursors with obvious catalytic performance enhancement. This designed strategy for Cu-based catalysts provides a new appreciation for the acetylene hydrochlorination reaction.

Co-free Ni-rich layered oxide cathodes need urgent development due to the continuously increasing demand for high-performance lithium-ion batteries. Here, the cathode materials of LiNi0.60Mn0.40O2(NM) and Fe-doped LiNi0.60Mn0.40–xFexO2(NMFe, x= 0.01–0.05) were prepared via a coprecipitation method associated with a high shear mixer, and the corresponding electrochemical performance was assessed. The optimal Fe-doped sample (NMFe-3) exhibits a discharge capacity of 185.3 mAh·g–1(0.1C), higher than that of NM (182.5 mAh·g–1) at 2.8–4.5 V and 25 °C. Characterization based on XRD, XPS, HRTEM, EIS, CV, and GITT tests illustrates the presence of LiFeO2crystal planes inside the NMFe samples, the lower values of the electrode/electrolyte interface impedance of the Fe-doped samples, and the charge-transfer impedance of the electrodes, as well as higher Li+diffusion rate during charge/discharge processes. In situ XRD tests confirm that NMFe-3 exhibits excellent reversible phase transition during the charge/discharge process. DFT calculations disclose that Fe dopants would make Li layer spacings enlarged and lower the energy barrier of Li+diffusion. This work provides a facile route to synthesize Fe-substituted Co-free Ni-rich cathode materials with excellent electrochemical performance for lithium-ion batteries.

To enhance oil–water separation efficiency, it is urgent to synthesize novel membrane materials that exhibit high flux and high retention efficiency and excellent antisolvent property. Herein, a seeding–extension–bud protrusion procedure was developed to fabricate superhydrophobic separation membranes through UV-assisted grafting and covalent modification on a microporous polypropylene. The synthesized superhydrophobic membranes (PPN-HDI-TPFOS) exhibit a bud protrusion micro/nanostructure, which significantly increases the contact area between the membrane surface and the emulsion, as well as the collision among the emulsion droplets during the oil–water separation. This membrane shows high flux of up to 24 800 L m–2h–1for dichloromethane (DCM)/water immiscible oil–water mixtures and 6528 L m–2h–1for water-in-DCM emulsions, together with excellent water retention (>99%) as well as good antisolvent property. Moreover, it exhibits excellent retention rates (>98%) for other water-in-oil emulsions (kerosene, hexane, and cyclohexane). This work supplies a useful strategy to synthesize complex membrane with extremely high flux as well as high rejection rate.

Organic electromechanical synthesis is an eco-friendly and efficient method for material synthesis, effectively addressing the high energy consumption and pollution problems in the traditional chemical industry. By combining hydrogen production from water electrolysis with organic electromechanical synthesis, the reactive oxygen/hydrogen from water hydrolysis can be utilized to oxidize/reduce organic compounds, reducing energy consumption and producing valuable organic products. However, this strategy still faces challenges when implemented in the industry. This paper addresses major technical challenges in the field, providing new insights for future advancements. Firstly, when selecting anode reactions for hydrogen production, it is important to consider the value and market demand of the oxidation product to match the production scale. Secondly, the development of efficient electrocatalysts and electrodes is required to enhance the oxidation kinetics and mass transfer of organics at the current density levels of industrial hydrogen production (500–2000 mA cm−2). Thirdly, it is essential to improve the selectivity and Faraday efficiency of the anode target product to lower the cost of subsequent separation and purification. Fourthly, existing anion and oxygen ion exchange membranes lack corrosion resistance to organic matter, and new separator materials with high ion conductivity and stability are crucial for the electrolytic coupling system. Finally, when combining organic oxidation and water electrolysis, the complexity of product separation increases, and it is recommended to integrate distillation, extraction, membrane separation, and electrochemical reactions to improve process efficiency.

Background: This study aimed to investigate the influence of Notch1 on c-Fos and the effect of c-Fos on the proliferation of Kaposi's sarcoma-associated herpesvirus (KSHV)-infected neuronal cells.Methods: Real-time PCR and western blotting were used to determine c-Fos expression levels in KSHV-infected (SK-RG) and uninfected SH-SY5Y cells. C-Fos levels were measured again in SK-RG cells with or without Notch1 knockdown. Next, we measured c-Fos and p-c-Fos concentrations after treatment with the Notch1 γ-secretase inhibitor LY-411575 and the Notch1 activator Jagged-1. MTT and Ki-67 staining were used to evaluate the proliferation ability of cells after c-Fos levels downregulation. CyclinD1, CDK6, and CDK4 expression levels and cell cycle were analyzed by western blotting and flow cytometry, respectively. After the c-Fos intervention, the KSHV copy number and gene expression of RTA, LANA and K8.1 were analyzed by real-time TaqMan PCR.Results: C-Fos was up-regulated in KSHV-infected SK-RG cells. However, the siRNA-mediated knockdown of Notch1 resulted in a significant decrease in the levels of c-Fos and p-c-Fos (P <0.01, P <0.001). Additionally, a decrease in Cyclin D1, CDK6, and CDK4 was also detected. The Notch1 inhibitor LY-411575 showed the potential to down-regulate the levels of c-Fos and p-c-Fos, which was consistent with Notch1 knockdown group (P <0.01), whereas the expression and phosphorylation of c-Fos were remarkably up-regulated by treatment of Notch1 activator Jagged-1 (P <0.05). In addition, our data obtained by MTT and Ki-67 staining revealed that the c-Fos down-regulation led to a significant reduction in cell viability and proliferation of the SK-RG cells (P <0.001). Moreover, FACS analysis showed that the cell cycle was arrested in the G0/G1 stage, and the expressions of Cyclin D1, CDK6, and CDK4 were down-regulated in the c-Fos-knockdown SK-RG cells (P <0.05). Reduction in total KSHV copy number and expressions of viral genes (RTA, LANA and K8.1) were also detected in c-Fos down-regulated SK-RG cells (P <0.05).Conclusion: Our findings strongly indicate that c-Fos plays a crucial role in the promotion of cell proliferation through Notch1 signaling in KSHV-infected cells. Furthermore, our results suggest that the inhibition of expression of key viral pathogenic proteins is likely involved in this process.

Aim: Noise exposure during pregnancy may be correlated with a higher risk of pregnancy complications, such as hypertensive disorders of pregnancy (HDP), gestational diabetes mellitus (GDM), and pre-eclampsia (PE). The link between noise and pregnancy complications, however, has been inconsistently reported. The objective of our study is to summarize the association of noise exposure throughout pregnancy with the risk of pregnancy complications. Subject and methods: PubMed, EMBASE, and Web of Science were comprehensively searched up to 5 March 2024 for published articles investigating the relationship between noise pollution and pregnancy complications (HDP, GDM, and PE). Random and fixed-effects models were used to aggregate relative risks (RRs) and 95% confidence intervals (95% CIs). Eligible studies were assessed for quality using the Newcastle Ottawa Scale and the Agency for Healthcare Research and Quality scale. Results: A total of 12 articles (16 studies) with 1,349,210 participants and 76,438 cases (30,569 with HDP, 20,192 with GDM, and 25,677 with PE) were incorporated into our study. The pooled RRs showed a positive association of noise with HDP (RR: 1.11, 95% CI: 1.01–1.21, I2= 27.2%) and GDM (RR: 1.24, 95% CI: 1.01–1.52, I2= 86.0%). The pooled RRs and 95% CI of PE risk with noise were 1.10 (95% CI: 0.99–1.22, I2= 16.5%). Conclusions: This meta-analysis demonstrated a strong correlation between noise exposure and a higher risk of HDP and GDM. It may therefore be advisable for women to restrict their exposure to noise during pregnancy in order to reduce the risk of pregnancy complications from that source.

Anthraquinone hydrogenation to produce H2O2is an economically interesting reaction with great industrial importance. Here, we report a series of Pd/xAl catalysts with different AlCl3contents by a conventional stepwise impregnation method. The optimal Pd/1.0Al catalyst exhibits a higher performance toward anthraquinone hydrogenation with 8.3 g·L−1hydrogenation efficiency, 99.5% selectivity and good stability, obviously superior to that of Pd/Al2O3catalyst (5.2 g·L−1and 97.2%). Detailed characterization demonstrates that AlCl3can be grafted on the γ-Al2O3support to obtain a modified support with abundant surface weak acid and Lewis acid, which can adsorb and activate anthraquinone. Meanwhile, its steric hindrance could isolate and disperse active metals to form more active sites. The synergies between metal sites and acid sites promotes the anthraquinone hydrogenation. Furthermore, the good stability after grafting AlCl3could attribute to the enhanced metal-support interaction inhibiting metal particles agglomeration and leaching.

Ce4+& F−co-doping inhibits O2release by regulating Co 3d–O 2pand accelerates Li+transport and CeO2−xand CeOF heterostructure resist HF corrosion, improving the cycling performance of LiCoO2exceeding 4.60 V.

To improve the harvesting efficiency of the sphere fruits and reduce the workload of post-harvest classification, an air-suction sphere fruit classifier was designed in this paper, which can achieve the separation of high-quality fruit and common fruit through a pneumatic device according to the size and quality of the fruit when the cones are picked. First, three fruit pickers with various shapes are proposed, and the characteristics of the external flow field are analyzed, and a fruit picker that can maximize the classification efficiency is obtained. Then, the internal flow field of the classification pipeline was analyzed, the pressure and velocity changes in the classification pipeline were studied, and the displacement changes and classification of high-quality and common fruits in the classification pipeline were analyzed by particle simulation. According to the three influencing factors of pressure divider tube inner diameter, inclination angle, and outlet volume flow rate, an orthogonal test is designed, and the regression equation of fruit classification accuracy is fitted by the Box-Behnken method. The optimal factor parameters are obtained through response surface optimization: pressure divider tube inner diameter D3= 48 mm, inclination angle = 60°, outlet volume flow = 0.01 m3/s. Research content provides a basis for the application of gas–solid separation technology in fruit classification.

Electrocatalysis is a promising approach for ammonia production under ambient conditions. However, practically, owing to the competing hydrogen evolution reaction (HER), the Faradaic efficiency is low, and it is difficult to activate the inert N≡N. The theoretical screening method based on density functional theory calculations is a novel technique for developing and designing nitrogen reduction reaction (NRR) diatom catalysts (DACs). We proposed an NRR new type of DAC doped on β-borophene (B-β) nanosheets exhibiting enhanced catalytic activities for the NRR through the pull–pull effect of dual-metal sites and donor–acceptor coupling. By systematically evaluating the stabilities, selectivities, and activities of 24 diatom-doped β-borophene (M2@B-β) candidates, Mo2@B-β was found to be a promising NRR electrocatalyst with a low limiting potential of −0.23 V for the NRR and a high overpotential of −0.16 V for the HER. The limiting potentials for Cr2@B-β, Mn2@B-β, and Re2@B-β were −0.52, −0.51, and −0.35 V, respectively, making them suitable electrocatalysts for the NRR. Based on the Sabatier principle, we proposed two descriptors, ΔG(*N) and d-band center, as the criteria for screening and designing catalysts with high catalytic activities to reveal the intrinsic correlation between adsorption properties and structural properties. Based on the ΔG(*N) function, a volcano plot was built to predict trends in the activities. The difference, ΔG(*N2) – ΔG(*H), was used as the selectivity descriptor, where the negative values of ΔGmean that the adsorption of N2dominates over the adsorption of H on the surface of M2@B-β. This study thus provides a feasible strategy for designing NRR electrocatalysts and is helpful for the fast screening of efficient DACs for other electroreduction reactions.

Alcohol consumption remains inconsistently correlated with fracture risk, and a dose–response meta-analysis for specific outcomes is lacking. The objective of this study was to quantitatively integrate the data on the relationship between alcohol consumption and fracture risk. Pertinent articles were identified in PubMed, Web of Science, and Embase databases up to 20 February 2022. Combined RRs and 95% CIs were estimated by random- or fixed-effects models. Restricted cubic splines were used to model linear or nonlinear relationships. Forty-four articles covering 6,069,770 participants and 205,284 cases of fracture were included. The combined RRs and 95% CIs for highest compared with lowest alcohol consumption were 1.26 (1.17–1.37), 1.24 (1.13–1.35), and 1.20 (1.03–1.40) for total, osteoporotic, and hip fractures, respectively. A linear positive relationship between alcohol consumption and total fracture risk was detected (Pnonlinearity= 0.057); the risk was correlated with a 6% increase (RR, 1.06; 95% CI: 1.02, 1.10) per 14 g/d increment of alcohol consumption. J-shaped relationships of alcohol consumption with risk of osteoporotic fractures (Pnonlinearity< 0.001) and hip fractures (Pnonlinearity< 0.001) were found. Alcohol consumption of 0 to 22 g/d was linked to a reduced risk of osteoporotic fractures and hip fractures. Our findings show that any level of alcohol consumption is a risk factor for total fractures. Moreover, this dose–response meta-analysis shows that an alcohol consumption level of 0 to 22 g/d is related to a reduction in the risk of osteoporotic and hip fractures.

The removal of trace amount of BCl3from SiHCl3by adsorption is an efficient method in manufacture of electronic grade polysilicon. DFT simulations were used to investigate the adsorption mechanism of aliphatic amine adsorbents and to compare the performance of these adsorbents. The adsorption energies, mulliken charges, dipole moments and FMOs of aliphatic amines on SiHCl3and BCl3were calculated using the DFT method at the B3LYP/6‐311++G (2d, p) level, and on this basis the factors affecting the adsorption capacity and selectivity were explored in depth. The results indicates that these adsorbents show good adsorption performance and high separation efficiency for BCl3. In particular, (CH3)2NH has the highest adsorption capacity for BCl3at 298 K and 1 atm and achieves effective desorption at high temperatures to allow the adsorbent to be reused. The adsorption behaviors are strongly affected by frontier orbitals, dipoles and polarizabilities of aliphatic amines, among which HOMO of amines plays the decisive role for adsorbing BCl3, providing theoretical guidance for adsorbent design associated with removal of BCl3from SiHCl3. Selective adsorbing BCl3from SiHCl3by aliphatic amine.

The segregation and heat transfer of polydisperse particles in the rotating drum have an important impact on many industrial fields, and the theory is not completely clear. Based on the verified discrete element method model, the segregation and heat transfer of polydisperse particles in the rotating drum indirectly heated by the side wall are studied. The results show that the polydisperse particles form the segregation structure of the radial core and axial band in the rolling regime rotating drum. The comparison with monodisperse particles indicates that the heat transfer of polydisperse particles is influenced by the segregation structure. Small changes in rotation speed and filling level in the rolling regime do not alter the particle segregation and heat transfer structure. The addition of lifters is an effective means to reduce particle segregation and improve the heat transfer effect. This work provides a reference for revealing the segregation and heat transfer theory of polydisperse particles in the rotating drum.

Despite its ubiquitous application in various branches of engineering and materials science, nucleation with reactions from supercritical water remains elusive. In this work, molecular dynamics with a reactive force field was studied to demonstrate the nucleation process of nano-iron oxide crystals synthesized via the supercritical hydrothermal synthesis method using Fe2(SO4)3as the precursor. It was shown that during the early stages of nucleation, high local density areas first occurred, making these sites primary candidates for nucleation. Furthermore, the amorphous intermediate reorganizes from the aggregation and coalescence of the prenucleation clusters (PNCs) and precedes the emergence of a crystalline nucleus rather than direct one-step nucleation from classical theory. Through calculation, it was found that the average nucleation rates increase generally with the increase in reaction temperature and system density, and the volumes of nano-iron oxide clusters are maintained at 10–12 nm3when simulating for 3 ns. It was further confirmed that increasing the reaction temperature and density is conducive to enhancing the crystallinity of iron oxide nanocrystals within a certain range of increments, with larger clusters forming faster at higher temperatures and densities. It was demonstrated that the screw dislocation formation mechanism caused nano-iron oxide lattice defects. Although not all of the nano-iron oxide nuclei generated have lattice defects, all of the perfect nano-iron oxide nuclei are generated by adjusting the configuration of nano-iron oxide nuclei with lattice defects.

Although relationships between the intake of whole grains and refined grains and the incidence of cardiovascular disease (CVD) events and all-cause mortality have been investigated, the conclusions have been inconclusive.

A series of 3D self-standing PtRu/Ni(OH)2/NF electrodes is fabricated for electrocatalytic hydrogenation (ECH) of benzoic acid (BA) to cyclohexanecarboxylic acid (CCA). The PtRu/Ni(OH)2electrocatalyst with a unique coral-shaped architecture possesses outstanding charge transfer ability and abundant active sites. The optimized electrode achieves a BA conversion of 99.00% and a CCA selectivity of 100% in 0.05 M H2SO4within 80 min, showing a record faradaic efficiency of 43.90% and high performance during 20 cycles of ECH. In situRaman tests verify the mechanism of the selective hydrogenation of the aromatic ring and density functional theory (DFT) calculations reveal that the electronic interaction between Pt and Ru in the PtRu nanoalloy as well as the electron transfer from the PtRu alloy to the Ni(OH)2nanosheet tunes the electronic states of PtRu/Ni(OH)2, thereby enhancing the adsorption strength of BA on the electrocatalyst surface. This work offers a promising alternative to the traditional catalytic hydrogenation of BA.

Chemical zoning is commonly seen in inorganic minerals, and it holds implications for magmatic processes, hydrothermal evolution, or metal mineralization. However, few studies are available on oscillatory zoning in biominerals, which carries the most direct and unique information on the biomineralization mechanism. This study investigates spatial and temporal resolution of trace element distributions in pearls that were cultivated in the Hyriopsis cumingiimantle (non-nucleated pearls and nucleated Akoya pearls) or visceral mass (nucleated Edison pearls) for 1–5 years. Using synchrotron radiation micro-X-ray fluorescence imaging, we find a variety of trace elements such as Sc, Cr, Mn, Cu, Zn, Ge, and Ba. The types of trace elements are slightly different for individuals. For the first time, submillimeter-scale Mn zoning is identified ubiquitously, concentric with the pearl, and exhibits increased concentrations toward the pearl margin. In non-nucleated pearls and nucleated Akoya pearls, the Mn zones are superposed with a spatially damped pattern with a decrease in the interzones. In contrast, no damped trends are observed in the Mn zones in nucleated Edison pearls. This difference may be due to different cultivation sites within mollusks that have different requirements for Mn during pearl growth. We suggest a growth model of dissipative structure for the Mn zoning in pearls, which depends upon the coupling between the interface kinetics and the diffusion of chemical species in the environment. The trace elements (including Mn) substitute Ca in aragonite isomorphically, based on Raman imaging. The scanning electron microscopy images show a periodic structure of aragonite platelets and organic matter of pearls. Locally in the Mn zones, there are minor defects on platelets, which may arise from the enrichment of trace elements. This study would develop a new research field for chemical zoning in minerals and introduce a new angle in understanding trace element incorporation in biominerals and the biomineralization processes.

Nacre of shells and pearls is a common biomineral produced by mollusks, containing a variety of trace elements. Little attention has been paid on the mechanisms of trace element uptake into nacre and its influence on the microstructure of nacre. This knowledge, however, is a prerequisite for our understanding of nacre biomineralization and holds implications for pearl cultivating technology, ecological environment, and materials sciences. Here, we give serious consideration on nacre with an abnormal microstructure of Edison pearls, discovering correlations between the trace element concentrations and the morphology and microstructure of the nacre. Edison pearls are a new breed of freshwater nucleated pearls. The scanning electron microscopy images show that the abnormal area in the nacre has a brick-and-mortar structure as the normal nacre, in which aragonite platelets alternate with organic materials. However, the aragonite platelets vary widely in thicknesses, littered with microcrystal cracks, and present clear color contrasts and a rugged surface. Much higher counts of trace elements are detected such as Mn, Fe, Zn, and Ba in the abnormal nacre, using synchrotron radiation micro-X-ray fluorescence imaging. The abnormal nacre exhibits Raman mode characteristic of multiple carbonate minerals, which suggests that these trace elements substitute for Ca in the aragonite lattice and distort the crystal lattice. In comparison with the peripheral normal nacre, there are lower concentrations of organic materials in the abnormal nacre and that may contribute to the formation of transversal and orthogonal platelet cracks. As a result, the abnormal nacre has a loose coupling structure. Formation of abnormal nacre has individual difference, and it is hypothesized that the metabolic abnormalities of visceral mass after operation procedure results in excessive uptake of trace elements and the consequent formation of abnormal nacre.

Mixed matrix membranes (MMMs) have attracted significant attention in the field of CO2separation because MMMs have potential to overcome an undesirable “trade-off” effect. In this study, the beaded nanofillers of ZIF-8@aminoclay (ZIF-8@AC) were synthesized using an in situ growth method, and they were doped into a Pebax MH 1657 (Pebax) matrix to fabricate MMMs for efficient CO2separation. The beaded structure was formed by ZIF-8 particles joined together during the process of AC coating on the ZIF-8 surface. ZIF-8@AC played a vital role in the improvement of gas separation performance. It was mainly attributed to the following reasons: First, the inherent micropores of ZIF-8 constructed the internal pathways for gas transport in the beaded nanofillers, benefiting the improvement of gas permeability. Second, the staggered AC layers constructed the external pathways for gas transport in the beaded nanofillers, increasing the tortuosity of gas transport for larger molecules and favoring the improvement of gas selectivity. Therefore, the internal and external pathways of ZIF-8@AC co-constructed the dual-transport pathways for CO2transport in MMMs. In addition, the abundant amino groups of the beaded nanofillers provided abounding carriers for CO2, facilitating CO2transport in the dual-transport pathways. Therefore, the CO2separation performance of Pebax/ZIF-8@AC-1 MMMs was significantly improved. The CO2permeability and CO2/CH4separation factor of Pebax/ZIF-8@AC-1-7 MMM were 620 ± 10 Barrer and 40 ± 0.4, which were 2.3 and 1.6 times those of a pure Pebax membrane, respectively. Furthermore, the CO2/CH4separation performance of Pebax/ZIF-8@AC-1-7 MMM overcame successfully the “trade-off” effect and approached the 2019 upper bound. It is a novel strategy to design a beaded nanofiller doped into MMMs for carbon capture.

Although the association of dietary inflammatory potential, evaluated by the dietary inflammatory index (DII), with all-cause and cause-specific mortality has been reported, evidence remains equivocal, with no relevant dose–response meta-analysis having been conducted. To examine the dose–response association of dietary inflammatory potential with risk of all-cause, cancer, and cardiovascular disease (CVD) mortality, PubMed, Embase, and Web of Science were systematically searched up to August 9, 2021. Cohort studies were included if DII was reported as ≥3 levels or per incremental increase, and if the associations of DII with all-cause, cancer, and CVD mortality were assessed. Generalized least squares regression was used to estimate study-specific dose–response associations, and the random effect model was used to pool the RRs and 95% CIs of all-cause, cancer, and CVD mortality per 1-unit increase in DII. Restricted cubic splines were used to intuitively display the dose–response association between dietary inflammatory potential and mortality. Of the 1415 studies retrieved, 15 articles (17 cohort studies involving 397,641 participants) were included in this meta-analysis. With per 1-unit increase in DII, the risks were significantly increased for all-cause mortality (RR: 1.04; 95% CI: 1.03, 1.05, I2= 51.8%; P-heterogeneity = 0.009), cancer mortality (RR: 1.02; 95% CI: 1.00, 1.04, I2= 58.6%; P-heterogeneity = 0.013), and CVD mortality (RR: 1.04; 95% CI: 1.02, 1.06, I2= 85.7%; P-heterogeneity <0.001), respectively. Restricted cubic splines showed significant positive linear associations between DII and the above 3 outcomes. Our study indicated that proinflammatory diets can increase the risk of all-cause, cancer, and CVD mortality in a linear manner.

The extensive utilization of fluorine industrial products has brought abundant fluorine pollution. The fluorine removal is important. In this study, CaO, as a novel coprecipitator, was conducted to synthesize Ca‐Fe‐SO4layered double hydroxide (CF) via co‐precipitation of FeSO4. Ca‐Fe mixed metal oxide adsorbent (CCF) was fabricated by calcinating CF for efficient fluoride adsorption. The results showed that CCF adsorbent had an excellent adsorption performance for fluoride. It was attributed to two reasons as follows: On one hand, Ca had a strong affinity for fluoride, improving the adsorption capacity of adsorbent for fluoride. On the other hand, Fe had a strong magnetism, which could promote the recovery of the adsorbed material. The adsorption capacity of CCF for fluorine was analyzed by batch adsorption experiments, the adsorption capacity was 160.66 mg/g at temperature of 298 K and pH of 7. Moreover, the adsorption process of fluorine and the actual adsorption process were in accordance with Langmuir model and the pseudo‐second‐order kinetic model, respectively. According to the analysis of pHzpc, FITR and XPS, the main adsorption mechanisms of CCF for fluoride in water were complexation and electrostatic interactions. Therefore, this study suggested that CaO can be a novel coprecipitator to prepare a new efficient fluorine adsorbent for the treatment of industrial wastewater. A novel Ca‐Fe mixed metal oxide adsorbent had an excellent adsorption performance for fluorine, and the adsorption capacity can reach 160.66 mg/g at temperature of 298 K and pH of 7. The adsorption mechanisms of Ca‐Fe mixed metal oxide adsorbent for fluoride in water was mainly depended on the complexation and electrostatic attraction.

Pb(II) pollution threatens human health and environmental safety, and suitable adsorption materials are important for Pb(II) removal. In this study, the adsorption characteristics of Pb(II) onto natural kaolinite and bentonite in the Dalian and Heishan areas (China) were investigated, and the effects of the solid-to-liquid ratio, pH, temperature, and reaction time on the adsorption performance of Pb(II) were analyzed. The results showed that the adsorption capacity of kaolinite decreases as the solid-to-liquid ratio increases, whereas the adsorption capacity of bentonite first increases to a maximum and then decreases. The processes by which kaolinite and bentonite adsorb Pb(II) are both rapid, in which adsorption equilibrium is reached within 120 min, and the pseudo-second-order kinetic model provides the best fit to the experimental results. The Langmuir model provides the best simulation of the isothermal adsorption characteristics of Pb(II) onto kaolinite and bentonite. The adsorption of Pb(II) onto kaolinite is a spontaneous, exothermic, and entropy-decreasing process, where a lower temperature is beneficial for adsorption. However, the adsorption of Pb(II) onto bentonite is a spontaneous, endothermic, and entropy-increasing process, where high temperature is beneficial for adsorption. The results indicate that both natural kaolinite and bentonite can be used as effective adsorbents for Pb(II) removal.

Although bran‐enriched foods are rich in bioactive compounds, the bioaccessibility of these bioactive compounds and their antioxidant activity after digestion in Chinese steamed bread (CSB) are poorly understood. The effects of wheat debranning on the sensory quality of CSB and antioxidant activity after digestion were studied, in order to provide special foods with different bran content for the consumers with diverse healthy status. For CSB, wheat debranning improved the color, textural properties, and sensory score but reduced the antioxidant activity and total phenolic content (TPC). After in vitro digestion, the TPC and antioxidant activity of the chyme‐soluble fraction (CSF) reached the highest value at degrees of debranning between 3% and 7%. Compared with debranning process, the effects of in vitro digestion on antioxidant activity were more significant. Degrees of debranning between 3% and 7% can offer the highest nutritional value of CSB. Although debranning process had some effects on the TPC and antioxidant activity of CSB, they were very limited when compared with those of digestion. The bran recombination process was better for the preparation of CSB than direct ground process. In addition to sensory qualities, this study also investigated the effects of digestion on the release of antioxidant activity of CSB with different degrees of debranning. Since the total antioxidant activity only slightly decreased after debranning of 0‐16% degrees, intaking CSB with lower bran content may also have considerable healthy benefit.

For industrial emulsification processes, it remains a challenge to obtain desirable droplet size distribution (DSD) as well as a smaller spanvia facile and efficient routes. In this work, a novel blind-side rotor is designed to assemble with the stator of a laboratory-scale inline high-shear mixer equipped with an annular cylinder inside the mixing chamber (bRS HSM). The effects of operating parameters, structural parameters on the average droplet size, DSD, and spanare experimentally investigated and compared with those of commercially used toothed-type rotor-stator assembly. In addition, computational fluid dynamics calculations are performed to investigate the influences on the flow field of the fluid within the HSM. The results show that the structure of the bRS HSM not only generates an optimal spanbut also reduces the energy consumption of the mixer, which is more advantageous for production of emulsions with narrower DSD. In the bRS HSM, Sauter mean diameter (d32) and spandecrease with increasing rotor speed but decreasing flow rate of the continuous phase, while spandecreases and then increases with increasing volume fraction of the dispersed phase. Meanwhile, the effect of structural parameters on spanis nonmonotonic. Furthermore, the artificial neural network (ANN) model is used to perform the correlation of d32and span, providing an estimation method to optimize the operating and structural parameters of the inline HSM in the emulsification process.

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Background: Keloid is a disease characterized by proliferation of fibrous tissue after the healing of skin tissue, which seriously affects the daily life of patients. However, the clinical treatment of keloids still has limitations, that is, it is not effective in controlling keloids, resulting in a high recurrence rate. Thus, it is urgent to identify new signatures to improve the diagnosis and treatment of keloids. Method: Bulk RNA seq and scRNA seq data were downloaded from the GEO database. First, we used WGCNA and MEGENA to co-identify keloid/immune-related DEGs. Subsequently, we used three machine learning algorithms (Randomforest, SVM-RFE, and LASSO) to identify hub immune-related genes of keloid (KHIGs) and investigated the heterogeneous expression of KHIGs during fibroblast subpopulation differentiation using scRNA-seq. Finally, we used HE and Masson staining, quantitative reverse transcription-PCR, western blotting, immunohistochemical, and Immunofluorescent assay to investigate the dysregulated expression and the mechanism of retinoic acid in keloids. Results: In the present study, we identified PTGFR, RBP5, and LIF as KHIGs and validated their diagnostic performance. Subsequently, we constructed a novel artificial neural network molecular diagnostic model based on the transcriptome pattern of KHIGs, which is expected to break through the current dilemma faced by molecular diagnosis of keloids in the clinic. Meanwhile, the constructed IG score can also effectively predict keloid risk, which provides a new strategy for keloid prevention. Additionally, we observed that KHIGs were also heterogeneously expressed in the constructed differentiation trajectories of fibroblast subtypes, which may affect the differentiation of fibroblast subtypes and thus lead to dysregulation of the immune microenvironment in keloids. Finally, we found that retinoic acid may treat or alleviate keloids by inhibiting RBP5 to differentiate pro-inflammatory fibroblasts (PIF) to mesenchymal fibroblasts (MF), which further reduces collagen secretion. Conclusion: In summary, the present study provides novel immune signatures (PTGFR, RBP5, and LIF) for keloid diagnosis and treatment, and identifies retinoic acid as potential anti-keloid drugs. More importantly, we provide a new perspective for understanding the interactions between different fibroblast subtypes in keloids and the remodeling of their immune microenvironment.

Sunlight-driven photocatalysis is a very appealing approach for solving the current energy crisis because it will not cause secondary pollution. Titanium dioxide (TiO2) has attracted much attention in the field of photocatalysis due to its simple preparation, environmental friendliness and easy modification. However, reducing the band gap and expanding the light absorption range to reduce the carrier recombination rate of TiO2is still a huge challenge. Herein, we report a two-dimensional (2D) Ti3C2/1 T&2 H-MoS2/TiO2photocatalyst obtained by in situ growth of a 1 T&2 H-MoS2/TiO2Z-scheme heterojunction on a highly conductive Ti3C2MXene surface. The spectral response range of the resulting Ti3C2/1 T&2 H-MoS2/TiO2(Ti3C2:1 T&2 H-MoS2:TiO2= 1:10:10) photocatalyst was broadened to 696 nm and the band gap was reduced to 1.83 eV, which was responsible for the strong light-harvesting capacity and improved charge separation. The activity of the Ti3C2/1 T&2 H-MoS2/TiO2photocatalyst was evaluated by photocatalytic degradation of sulfamethazine (SMZ). The degradation rate of SMZ reached 99.8 % after 90 min of illumination. These results demonstrate that the combination of Ti3C2MXene and heterojunction is a feasible strategy to enhance the light-harvesting capacity and charge transport in photocatalytic reaction.

In the production of chloroprene rubber, acetylene dimerization over the Nieuwland catalyst is an important step. The addition of Mg2+to the Nieuwland catalyst improves the acetylene conversion and the selectivity toward vinyl acetylene. In this study, active component crystal structure, the role of Mg2+in the Nieuwland catalyst, the reason for the catalyst deactivation, and the reaction mechanism were analyzed by different characterization techniques. The results indicate that the main reason for the Nieuwland catalyst deactivation is the loss of Cu2+. The addition of Mg2+will increase the exposure of active sites, reduce the residence time of acetylene in the catalyst, and inhibit the reduction of Cu2+, thereby improving the catalytic performance and stability of the catalyst. By adding the second metal to the Nieuwland catalyst, the role of the second metal in the catalyst, the catalytic mechanism, the catalyst structure and the reason for deactivation were studied. The results show that the deactivation of the catalyst is due to the loss of Cu2+. With the addition of Mg2+, the complex state of the active component of the catalyst changes, which inhibits the loss of the active component and improves the activity and stability of the catalyst.

The degree of milling (DOM) can affect the phenolics and antioxidant activity of brown rice, but rice as food needs to be cooked and plays its role when passing through the digestive system. Yet, digestion has a significant impact on the phenolic content and antioxidant activity. This study aimed to investigate the effects of DOM on the phenolics and antioxidant activity of cooked rice during in vitro digestion and how these phenolics and antioxidant activities are affected by in vitro digestion. After in vitro digestion, as the DOM increased from 0% to 12.31%, the total phenolic content (TPC), total flavonoid content (TFC), DPPH•, and ABTS•+scavenging activities decreased by 26.8%, 68.5%, 48.8%, and 29.9%, respectively. The maximum release amount of phenolics occurred at the intestinal digestion phase for all cooked rice samples. The increased proportions of DPPH•and ABTS•+scavenging activities at every stage were not consistent with those of TPC and TFC. Compared with control samples, the TPC and TFC, DPPH•, and ABTS•+scavenging activities significantly increased in most digested samples. The increased DOM resulted in loss of phenolics including flavonoids and phenolic acids in digestion samples as well as in DPPH•and ABTS•+scavenging activities of cooked rice. The release of phenolics and the improvement of antioxidant activity of cooked rice during in vitro digestion were mainly due to the digestive enzymes. Compared with traditional organic solvent extraction combined with alkaline hydrolysis, the in vitro digestion model simulated the digestive process of food in the human body, making the evaluation of rice with different DOMs more practical.

A novel strategy was employed to prepare Pd–IL complex catalysts for the anthraquinone hydrogenation reaction, taking advantage of the ionic liquid (IL). The IL microphase provides an excellent environment for augmenting the content of Pd0active species, since the tunable surface acidic sites by altering the IL amount can offer more metallic activity sites and change the electron density of Pd nanoparticles. With a low Pd loading amount of 0.3%(wt), the optimal Pd–4%IL catalyst exhibits a stable hydrogenation efficiency of 7.7 g L−1and the selectivity of 99.9%, obviously superior to those of the traditional catalyst of Pd/Al2O3(4.9 g L−1and 96.9%). DFT calculations indicate that the addition of IL would significantly enhance the activation degree of the reactant EAQ, reduce the energy barriers of the desirable hydrogenation reaction and consequently increase the selectivity. This work offers a new perspective for the highly-efficient fabrication of IL-intensified Pd-based catalysts as well as their utilization for anthraquinone hydrogenation.

Considering the disadvantages of ruthenium-based catalysts for acetylene hydrochlorination, such as poor dispersion, metal loss, serious carbon deposition, and insufficient active sites, supported ruthenium catalysts coated with polydopamine (Ru/AC@PDA-T) were synthesized by using the self-polymerization of dopamine to attach a protective layer on Ru/AC. The PDA-derived layer formed a local active domain depending on the complexation of its heteroatomic structure to the Ru atom. Benefiting from the promotion of local structural forces, the synthetic process resulted in highly dispersed active components, although a certain size of Ru nanoclusters rather than some monatomic species was most favorable for catalyzing the reaction. Ruthenium species were stabilized in their active states. The superior activity might be caused by the synergistic adsorption and activation of reactants by Ru–O/N multi-sites, significantly reducing the catalytic energy barrier, promoting rapid reaction and impeding carbon deposition, which promotes the continuous exposure of active sites and thus improves the catalytic efficiency. Significantly improved activity and stability provide for a potential industrial application of the optimized Ru/AC@PDA-100 catalyst.

A sodalite Cd66-cage-based metal–organic framework (MOF), namely, CPM-9S, has been constructed based on Cd9and Cd5metal–organic clusters (MOCs), which, to the best our knowledge, represents the first Cd-cage-based MOF that contains the highest-nuclear Cd-based MOC and the largest number of Cd2+ions in a cage. The iodine adsorption performances in terms of the iodine adsorption capacity, adsorption isotherm, and adsorption kinetics, as well as the adsorption mechanism, have been further studied.

A unique decarbonylation of an amino acid derivative catalytic system has been established via palladium-catalyzed C–C bond and C–N bond dual activations. By employing 8-aminoquinoline as the directing group, this transformation has been found to facilitate the high chemoselectivity to decarbonylation of amino acid derivatives rather than intramolecular deamination or cross-dehydrogenative coupling reactions. This method provides a straightforward avenue for constructing diverse functionalized amide compounds in good to excellent yields. We proposed a possible reaction pathway that may go through the C–C bond and C–N bond dual activations on the basis of the mechanistic studies.

The adsorption characteristics of Pb(II) onto bone char were studied by conducting batch experiments, and the influence of the solid–liquid ratio, pH, ionic strength, reaction time, temperature, and initial concentration on Pb(II) adsorption was evaluated. Based on the adsorption kinetic and isothermal adsorption characteristics of Pb(II), Cd(II), Ni(II), and Cu(II), the competitive adsorption characteristics between heavy metal ions in the multi-component system were explored. The results reveal that bone char exhibits a relatively high adsorption capacity for Pb(II). The adsorption capacity reached 158.36 mg g–1when the initial concentration was 200 mg L–1, the solid–liquid ratio was 1.0 g L–1, the temperature was 20°C, and the optimum pH was 2–3. Furthermore, Pb(II) adsorption onto bone char was substantially affected by the solid–liquid ratio and the pH, and less affected by the ionic strength. Langmuir model fit the isothermal processes better than the Freundlich model, and the coefficients of determination were larger than 0.970. Pseudo-second-order kinetic model was best fitted to the adsorption kinetic processes of Pb(II), Cd(II), Ni(II), and Cu(II), which had the coefficients of determination larger than 0.990. Moreover, Cd(II) and Ni(II) had a low impact on the adsorption capacity of bone char to Pb(II), while Cu(II) showed a significant impact.

Imidacloprid (IMI) polymorphs were first found to be sensitive to the content of antisolvent in an antisolvent crystallization process using formic acid (FA) as a solvent and water (W) as an antisolvent. Characterized by XRD, DSC, POM, and Raman, the obtained crystals change from Form II into Form I as the FA/W ratio becomes lower than 1:1. Combined with Hirshfeld surface analysis, it illustrates that IMI molecules have the tail-to-tail and tail-to-head packing modes at a FA/W ratio of 1:1, whereas they adopt the tail-to-tail parallel packing at a FA/W ratio of 2:1. Molecular dynamic simulations disclose that the molecular conformations in the IMI aggregates turn to be approximately the distinct conformations in the corresponding unit cells of crystal Form I and II. The competing parameters were put forward around the active sites of IMI on the basis of the coordination numbers calculated through RDF profiles to understand deeply the competition mechanism of the solute–solvent interactions versus the solute–antisolvent interactions. It is found that as the content of water increases, the solute–antisolvent interactions gradually turn to be dominant around the specific sites, which promotes the conformation change of IMI and then facilitates the nucleation for Form I. These results provide a useful route to study the nucleation pathway of polymorphic products.

The use of oxidoreductase nanozymes to regulate reactive oxygen species (ROS) has gradually emerged in periodontology treatments. However, current nanozymes for treating periodontitis eliminate ROS extensively and non‐specifically, ignoring the physiological functions of ROS under normal conditions, which may result in uncontrolled side effects. Herein, using the MIL‐47(V)‐F (MVF) nanozyme, which mimics the function of glutathione peroxidase (GPx), it is proposed that ROS can be properly regulated by specifically eliminating H2O2, the most prominent ROS. Through H2O2elimination, MVF contributes to limiting inflammation, regulating immune microenvironment, and promoting periodontal regeneration. Moreover, MVF stimulates osteogenic differentiation of periodontal stem cells directly, further promoting regeneration due to the vanadium in MVF. Mechanistically, MVF regulates ROS by activating the nuclear factor erythroid 2‐related factor 2/heme oxygenase 1 (Nrf2/HO‐1) pathway and promotes osteogenic differentiation directly through the phosphatidylinositol 3‐kinase/protein kinase B (PI3K/Akt) pathway. A promising periodontitis therapy strategy is presented using GPx‐mimicking nanozymes through their triple effects of antioxidation, immunomodulation, and bone remodeling regulation, making nanozymes an excellent tool for developing precision medicine. A GPx‐mimicking nanozyme, MVF, is developed and its selective clearance of H2O2is demonstrated. The experimental findings elucidate the triple functionality of MVF in regulating ROS, macrophage polarization, and the balance between osteogenesis and osteoclastogenesis, ultimately leading to the repair and regeneration of periodontal bone tissue.

Carbon layers with microporous structures fine-modulated by naphthalene (NAP) were prepared to coat on LiFePO4, aiming to enhance the Li+diffusion coefficient for Li-ion batteries. Characterized by BET, XRD, TEM, EIS, etc., it is indicated that in the presence of NAP, the carbon-coated LiFePO4/C-NAP composites have the enlarged micropore size of 1.66 nm and the enhanced Li+diffusion coefficient of 2.83 × 10−12 cm2 s−1, which is about five times higher than that of LiFePO4/C prepared in the absence of NAP. At a high rate of 20 C, the discharge capacity of the LiFePO4/C-NAP is up to 120.1 mA h g−1and maintains a good retention rate of 93.2% after 400 cycles. It is suggested that the NAP-modulated carbon coating is a promising route to accelerate the Li-ion diffusion rate and enhance the electrochemical performance for lithium ion batteries.

Introducing ligand into the surface of gold (Au)-based catalyst has been recognized as an efficient strategy to enhance the performance of catalyst in acetylene hydrochlorination reaction. However, due to the multifactorial deactivation, the usage of single type of ligand has limitations on the performance improvement. In this work, two types of ligands including a molecular 2-methylimidazole and an ionic cetrimonium are selected to protect Aun+species. After kinetics analysis, advanced characterization, and density functional theory simulation, we demonstrate the optimal interaction model between two ligands and Au species: Two 2-methylimidazole molecules are coordinated with high-valent Au species while cetrimonium is interacted viaelectrostatic interaction. Except the synergistic effect in the decrease of Au species reduction and agglomeration, the existence of molecular ligand greatly increases the adsorption of hydrogen chloride while the ionic ligand significantly inhibits the deposition of coke. Due to the positive effect of dual-ligands, we achieved 97.1% of acetylene conversion and 0.29 h−1of deactivation rate under high gas hourly space velocity of acetylene. This work establishes a foundation to explore the property-activity relationships in Au-based catalyst vialigand engineering.

A series of stators were designed with the same opening area but different opening shape and number for the inline single-row blade-screen high shear mixers (HSMs), to study the emulsification and extraction, respectively. The opening number has a significant influence on the emulsification and extraction, as compared to the opening shape. The computational fluid dynamics (CFD) analysis was used to disclose the intensifying rules of HSMs with desirable stator geometry. In the rotor and screen region, both energy dissipation rate and shear stress increase first but then decrease as the opening number rises, whereas in the jet region both of them decrease with the opening number. The opening number can affect the flux through screen and shear gap, as well as the reentrainment and jet behaviors in the screen region. These results provide important guidance on the design and optimization of HSMs structures to intensify the emulsification and extraction.

Highly active subnano Pd clusters were synthesized using i-motif DNA as the template through characterization via ESI MS, DLS, XPS, UV–vis, and FTIR. It is indicated that Pd1–Pd5clusters are generated at a [Pd]/[base] ratio of 0.2, Pd8to Pd9clusters are generated at a [Pd]/[base] ratio of 0.5, and large nanoparticles with the size about 2.6 nm are formed at a [Pd]/[base] ratio of 2.0. The i-motif-stabilized Pd8–Pd9clusters show high catalytic activity toward the reduction of 4-nitrophenol with a relative rate constant value of 2034 min–1(mM Pd)−1. DFT calculations disclose that the unique structure of the i-motif with consecutive hemiprotonated CH+·C pairs can efficiently ligate Pd ions at the N3 sites of cytosines and that the synthesized Pd clusters consist of metallic Pd atoms as well as positively charged Pd that is ligated by nucleobases, which is capable of facilitating the activation of the nitryl group of 4-nitrophenol. This work suggests a promising pathway to preparing subnano metal catalysts with enhanced catalytic activity using programmable DNA scaffolds.

Marine corrosion and biofouling are challenges that affect marine industrial equipment, and protecting equipment with functional coatings is a simple and effective approach. However, it is extremely difficult to combine anti-corrosion and anti-fouling properties in a single coating. In this work, we combine reduced graphene oxide (rGO)/silver nanoparticles (AgNPs) with a hydrophilic polymer in a bio-based silicone–epoxy resin to create a coating with both anti-fouling and anti-corrosion properties. The excellent anti-fouling performance of the coating results from a ternary synergistic mechanism involving fouling release, contact inhibition, and a hydration effect, while the outstanding anti-corrosion performance is provided by a ternary synergistic anti-corrosion mechanism that includes a dense interpenetrating network (IPN) structure, a barrier effect, and passivation. The results show that the obtained coating possesses superior anti-fouling activity against protein, bacteria, algae, and other marine organisms, as well as excellent anti-corrosion and certain self-healing properties due to its dynamic cross-linked network of rGO/AgNPs and the hydrophilic polymer. This work provides an anti-corrosion and anti-fouling integrated coating for marine industrial equipment.

This study proposes a multi-objective optimization method based on a hybrid of computational fluid dynamics (CFD) and experimental techniques, which integrates a weighted average surrogate model and the NSGA-II intelligent algorithm. To validate the feasibility of this method, structural optimization for the self-excited oscillation mixer (SEOM) was conducted. The optimization objectives aimed to reduce potential abrasives accumulation in the mixed-flow cavity and minimize erosion on the elbow of the slurry outlet caused by mixed slurry, thereby enhancing the service life and rust removal efficiency of the mixed flow rotary jet descaling (MFD). A comparison between the optimized model and original model revealed a 2.51% increase in negative pressure within the cavity of the optimized model, as well as a 10.36% decrease in velocity at the outlet of mixed slurry based on simulation results. Experimental methods measured both mass flow rate of inhaled abrasive particles and impact force of mixed slurry outlet. The experimental results demonstrated that compared to its original counterpart, the optimized model exhibited superior performance with a 22.81% increase in abrasive particle flow rate and an 11.34% reduction in mixed slurry impact force indirectly, verifying better simulation effectiveness for SEOM with optimized structure. This approach also enhanced efficiency and surface quality of MFD processing strip steel, providing guidance for structural optimization of similar SEOMs used in mixed flow descaling.

Objectives Danshensu is a traditional Chinese medicine that is used for treatment of cardiovascular diseases. We previously demonstrated its preventive effect against early-stage hypoxic pulmonary hypertension (HPH) in a rat model. To determine whether danshensu treatment might be useful for patients with chronic HPH, we examined its therapeutic effect in rats with prolonged HPH.Methods Adult Sprague-Dawley rats received danshensu (80, 160, and 320 mg/kg) during or after hypoxia exposure to assess preventive and therapeutic effects, respectively. Right ventricle systolic pressure (RVSP), right ventricle hypertrophy index (RVHI), and mean left carotid artery pressure (mCAP) were measured in each group. Western blotting was used to assess transforming growth factor (TGF)-β expression levels in rats and cultured cells exposed to hypoxia.Results Preventive danshensu treatment significantly reduced the elevation of RVSP and RVHI in rats exposed to hypoxia, whereas therapeutic danshensu treatment did not; mCAP did not change in any treatment group. The increased expression levels of TGF-β induced by hypoxia were inhibited by preventive danshensu treatment, but not by therapeutic danshensu treatment.Conclusions Although danshensu treatment could prevent HPH, it had no obvious therapeutic effect after development of HPH. Therefore, danshensu might be suitable for clinical treatment of early-stage HPH.

The effects of various structural and operating parameters on liquid–liquid dispersion and selectivity of chemical reactions in inline single-row teethed high shear mixers (HSMs) were studied by a parallel competitive reaction system. The product distribution XSwas applied to evaluate the mass transfer characteristics. The results show that XSdecreases evidently at first in tandem with a slight increase as the rotor speed and flow rate rise. The results also indicate that the structural parameters of the rotors play a more important role in enhancing the mass transfer efficiency at higher rotor speed. Compared with adjusting other structural parameters, increasing the teeth number of the rotor can most significantly decrease both XSand Sauter mean drop size d32. Computational fluid dynamics was applied to predict the flow and power characteristics. Furthermore, a dimensionless correlation for XSis established to provide references for the design and optimization of inline HSMs in liquid–liquid systems.

In this work, amine-functionalized ZIF8 (i.e., ZIF8-A) was dispersed in n-heptanol (ZIF8-A/n-heptanol) to remove SO2. The effects of ZIF8-A proportion, SO2concentration, and absorption and desorption temperatures on the removal of SO2were systematically investigated. The experimental results showed that the activity of ZIF8-A on SO2removal was enhanced after being dispersed in n-heptanol. The SO2saturation capacity increased with increasing proportion of ZIF8-A and SO2concentration. The optimal temperatures for SO2absorption and desorption were found to be 25 and 120 °C, respectively. Under the optimal experimental conditions (25 °C and 4% SO2), the SO2saturation capacity was 589 mg/g. Five continuous absorption–desorption cycles suggested a good regeneration performance. Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, ultraviolet analyses, and computational simulation indicated that SO2mainly interacted with ZIF8-A via hydrogen bonds besides physical absorption. The simulation results further indicated that the enhanced SO2adsorption performance of ZIF8-A when dispersed in n-heptanol was due to the lower self-diffusion coefficient and higher isosteric heat of SO2molecules in ZIF8-A/n-heptanol.

The use of an appropriate viscosity reducer is the key during the process of heavy crude oil exploitation. To design a new amphiphilic polymer as an efficient viscosity reducer, we combined the dissipative particle dynamics (DPD) simulation and all-atom simulation in this work to reveal the viscosity reduction mechanism. Nine primary polymers were added into the oil–water system, in which the oil–water volume ratio was 4:1, by comparing the mean-square displacement (MSD) of asphaltene, aggregation ratio, the oil–water interfacial tension value, and the effects of nitrogen type, benzene ring morphology, and the alkyl side-chain length of the polymers on the properties of the system. The interaction mechanism was further revealed by analyzing the interaction energy between the asphaltene and the polymer molecules at the atomic scale. Finally, three kinds of polymers, P12, P22, and P31, which used polyacrylamide as a skeleton and were modified by pyrrolidone, a naphthalene ring, and the alkyl side chain without a −CH2group, respectively, were selected to design a new amphiphilic polymer as a viscosity reducer. This work combined the advantages of the mesoscopic and atomic simulation methods to design the amphiphilic polymer, shedding light on the development of the novel heavy-oil viscosity reducer.