CO2 adsorption and separation properties of M-MOF-74 materials determined by molecular simulation

This study simulated the adsorption and separation of CO2 by the metal-organic frameworks material M-MOF-74, established the skeleton model of M-MOF-74 series adsorbent, and calculated the adsorption of CO2 pure component gas and CO2/N2 mixed gas on MMOF- 74 series adsorbent by the grand canonical Monte Carlo method. Among the CO2 adsorption performances of MOF-74 materials with metal centers of Mg, Co, Ni, and Zn, Mg-MOF-74 had the highest CO2 adsorption capacity, adsorption selection coefficient and adsorption heat. When mixed gas was adsorbed, the law of CO2 adsorption was consistent with that of pure CO2 adsorption. The size law of adsorption heat on MOF-74 was similar to that of adsorption amount. Our findings demonstrated that the interaction between the metal-organic framework material and CO2 is greater than that between the material and N2. The interaction between the gas and the MOF-74 series adsorbent was the main factor affecting the adsorption amount, which reveals the strong influence of metal central atoms on the amount of gas adsorption. Our findings provide new ideas for the design of efficient adsorbent materials.Cited as: Deng, J., Zhao, G., Zhang, L., Ma, H., Rong, Y. CO2 adsorption and separation properties of M-MOF-74 materials determined by molecular simulation. Capillarity, 2023, 6(1): 13-18. https://doi.org/10.46690/capi.2023.01.0

Age-related response of forest floor biogenic volatile organic compound fluxes to boreal forest succession after wildfires

The amplification of global warming in the Northern regions results in a higher probability of wildfires in boreal forests. On the forest floor, wildfires have long-term effects on vegetation composition as well as soil and its microbial communities. A large variety of biogenic volatile organic compounds (BVOCs) such as isoprene, monoterpenes, sesquiterpenes have been observed to be emitted from soil and understory vegetation of boreal forest floor. Ultimately, the fire-induced changes in the forest floor affect its BVOC fluxes, and the recovery of the forest floor determines the quantity and quality of BVOC fluxes. However, the effects of wildfires on forest floor BVOC fluxes are rarely studied. Here we conducted a study of the impacts of post-fire succession on forest floor BVOC fluxes along a 158-year fire chronosequence in boreal Scots pine stands near the northern timberline in north-eastern Finland throughout a growing season. We determined the forest floor BVOC fluxes and investigated how the environmental and ground vegetation characteristics, soil respiration rates, and soil microbial and fungal biomass are associated with the BVOC fluxes during the post-fire succession. The forest floor was a source of diverse BVOCs. Monoterpenes (MTs) were the largest group of emitted BVOCs. We observed forest age-related differences in the forest floor BVOC fluxes along the fire chronosequence. The forest floor BVOC fluxes decreased with the reduction in ground vegetation coverage resulted from wildfire, and the decreased fluxes were also connected to a decrease in microbial activity as a result of the loss of plant roots and soil organic matter. The increase in BVOC fluxes was associated with the recovery of aboveground plant coverage and soils. Our results suggested taking into consideration the implications of BVOC flux variations on the atmospheric chemistry and climate feedbacks.Peer reviewe

p21WAF1/CIP1 gene transcriptional activation exerts cell growth inhibition and enhances chemosensitivity to cisplatin in lung carcinoma cell

BACKGROUND: Non-small-cell lung carcinomas (NSCLCs) exhibit poor prognosis and are usually resistant to conventional chemotherapy. Absence of p21WAF1/CIP1, a cyclin-dependent kinase (cdk) inhibitor, has been linked to drug resistance in many in vitro cellular models. RNA activation (RNAa) is a transcriptional activation phenomena guided by double-strand RNA (dsRNA) targeting promoter region of target gene. METHODS: In this study, we explored the effect of up-regulation of p21 gene expression on drug-resistance in A549 non-small-cell lung carcinoma cells by transfecting the dsRNA targeting the promoter region of p21 into A549 cells. RESULTS: Enhanced p21 expression was observed in A549 cells after transfection of dsRNA, which was correlated with a significant growth inhibition and enhancement of chemosensitivity to cisplatin in A549 cells in vitro. Moreover, in vivo experiment showed that saRNA targeting the promoter region of p21 could significantly inhibit A549 xenograft tumor growth. CONCLUSIONS: These results indicate that p21 plays a role in lung cancer drug-resistance process. In addition, this study also provides evidence for the usage of saRNA as a therapeutic option for up-regulating lower-expression genes in lung cancer

Defect Study of MgO-CaO Material Doped with CeO 2

MgO-CaO refractories were prepared using analytical reagent chemicals of Ca(OH)2 and Mg(OH)2 as starting materials and CeO2 as dopant, then sintered at 1650°C for 3 h. The effect of CeO2 powders on the defect of MgO-CaO refractories was investigated. The sample characterizations were analyzed by the techniques of XRD and SEM. According to the results, with the addition of CeO2, the lattice constant of CaO increased, and the bulk density of the samples increased while apparent porosity decreased. The densification of MgO-CaO refractories was promoted obviously. In the sintering process, MgO grains grew faster than CaO, pores at the MgO-CaO grain boundaries decreased while pores in the MgO grains increased gradually, and no pores were observed in the CaO grains. The nature of the CeO2 promoting densification lies in the substitution and solution with CaO. Ce4+ approaches into CaO lattices, which enlarges the vacancy concentration of Ca2+ and accelerates the diffusion of Ca2+

Experimental Study on Solar Cooling Tube Using Thermal/Vacuum Emptying Method

A solar cooling tube using thermal/vacuum emptying method was experimentally studied in this paper. The coefficient of performance (COP) of the solar cooling tube was mostly affected by the vacuum degree of the system. In past research, the thermal vacuum method, using an electric oven and iodine-tungsten lamp to heat up the adsorbent bed and H2O vapor to expel the air from the solar cooling tube, was used to manufacture solar cooling tubes. This paper presents a novel thermal vacuum combined with vacuum pump method allowing an increased vacuum state for producing solar cooling tubes. The following conclusions are reached: the adsorbent bed temperature of solar cooling tube could reaches up to 233°C, and this temperature is sufficient to meet desorption demand; the refrigerator power of a single solar cooling tube varies from 1 W to 12 W; the total supply refrigerating capacity is about 287 kJ; and the COP of this solar cooling tube is about 0.215

Manipulating Multiple Order Parameters via Oxygen Vacancies: The case of Eu0.5Ba0.5TiO3-{\delta}

Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition metal oxides. Progress in this field is currently addressed through VO variations and their impact on mainly one order parameter. Here we reveal a new mechanism for tuning both magnetism and ferroelectricity simultaneously by using VO. Combined experimental and density-functional theory studies of Eu0.5Ba0.5TiO3-{\delta}, we demonstrate that oxygen vacancies create Ti3+ 3d1 defect states, mediating the ferromagnetic coupling between the localized Eu 4f7 spins, and increase an off-center displacement of Ti ions, enhancing the ferroelectric Curie temperature. The dual function of Ti sites also promises a magnetoelectric coupling in the Eu0.5Ba0.5TiO3-{\delta}.Comment: Accepted by Physical Review B, 201

Improving Matching Efficiency and Out-of-domain Reliability of Underwater Gravity Matching Navigation Based on a Novel Soft-margin Local Semicircular-domain Re-searching Model

This paper mainly studies the improvement of the efficiency and out-of-domain reliability of gravity matching navigation for underwater vehicles. To overcome the traversal low-efficiency problem of the traditional terrain contour matching (TERCOM) algorithm and improve the positioning reliability of its out-of-domain mismatches, a novel soft-margin local semicircular-domain re-searching model (SLSR) is proposed by integrating the soft-margin circular grid matching (SCGM) mechanism and the local semicircular grid re-matching (LSGR) mechanism. SCGM uses three times the inertial navigation cumulative error and adds the unit grid resolution as the soft margin boundary to generate the soft-margin circular domain, which contributes to reducing in-domain matching grid points and enhancing the matching efficiency of algorithms. Then the optimal matching position in this soft-margin circular domain is obtained by using the optimization principle of matching indices. LSGR is triggered when the optimal matching position of SCGM is located near the soft-margin circular-domain boundary. It employs this optimal matching point as the center and the unit inertial navigation error as the radius to recreate the semicircular local re-searching matched grid domain (termed as semicircular domain). Moreover, the optimal matching point in this semicircular domain is obtained by the matching index optimization principle, and then it is compared and updated to obtain the final best matching position of SLSR. The simulation results show that SCGM and LSGR of the proposed SLSR method can effectively improve the matching efficiency and out-of-domain matching reliability of underwater navigation, respectively. Under the same testing conditions for the tracking starting points from three gravity regions, the number of out-of-domain mismatches of SLSR, compared with TERCOM, are lower up to 92.68%, 90.24% and 98.62%, while the average matching accuracies are relatively improved by 88.37%, 85.48% and 83.66%, which verifies the validity and feasibility of the proposed SLSR model on improving the efficiency and out-of-domain reliability of underwater gravity matching navigation

Improving Matching Efficiency and Out-of-domain Reliability of Underwater Gravity Matching Navigation Based on a Novel Soft-margin Local Semicircular-domain Re-searching Model

This paper mainly studies the improvement of the efficiency and out-of-domain reliability of gravity matching navigation for underwater vehicles. To overcome the traversal low-efficiency problem of the traditional terrain contour matching (TERCOM) algorithm and improve the positioning reliability of its out-of-domain mismatches, a novel soft-margin local semicircular-domain re-searching model (SLSR) is proposed by integrating the soft-margin circular grid matching (SCGM) mechanism and the local semicircular grid re-matching (LSGR) mechanism. SCGM uses three times the inertial navigation cumulative error and adds the unit grid resolution as the soft margin boundary to generate the soft-margin circular domain, which contributes to reducing in-domain matching grid points and enhancing the matching efficiency of algorithms. Then the optimal matching position in this soft-margin circular domain is obtained by using the optimization principle of matching indices. LSGR is triggered when the optimal matching position of SCGM is located near the soft-margin circular-domain boundary. It employs this optimal matching point as the center and the unit inertial navigation error as the radius to recreate the semicircular local re-searching matched grid domain (termed as semicircular domain). Moreover, the optimal matching point in this semicircular domain is obtained by the matching index optimization principle, and then it is compared and updated to obtain the final best matching position of SLSR. The simulation results show that SCGM and LSGR of the proposed SLSR method can effectively improve the matching efficiency and out-of-domain matching reliability of underwater navigation, respectively. Under the same testing conditions for the tracking starting points from three gravity regions, the number of out-of-domain mismatches of SLSR, compared with TERCOM, are lower up to 92.68%, 90.24% and 98.62%, while the average matching accuracies are relatively improved by 88.37%, 85.48% and 83.66%, which verifies the validity and feasibility of the proposed SLSR model on improving the efficiency and out-of-domain reliability of underwater gravity matching navigation