Computational Study of Adsorption and Separation of CO₂, CH₄, and N₂ by an <i>rht</i>-Type Metal–Organic Framework

In this work, a computational study is performed to evaluate the adsorption-based separation of CO₂ from flue gas (mixtures of CO₂ and N₂) and natural gas (mixtures of CO₂ and CH₄) using microporous metal organic framework Cu-TDPAT as a sorbent material. The results show that electrostatic interactions can greatly enhance the separation efficiency of this MOF for gas mixtures of different components. Furthermore, the study also suggests that Cu-TDPAT is a promising material for the separation of CO₂ from N₂ and CH₄, and its macroscopic separation behavior can be elucidated on a molecular level to give insight into the underlying mechanisms. On the basis of the single-component CO₂, N₂, and CH₄ isotherms, binary mixture adsorption (CO₂/N₂ and CO₂/CH₄) and ternary mixture adsorption (CO₂/N₂/CH₄) were predicted using the ideal adsorbed solution theory (IAST). The effect of H₂O vapor on the CO₂ adsorption selectivity and capacity was also examined. The applicability of IAST to this system was validated by performing GCMC simulations for both single-component and mixture adsorption processes

Chemoselective Hydrogenation of Cinnamaldehyde over a Pt-Lewis Acid Collaborative Catalyst under Ambient Conditions

A novel Pt-Lewis acid collaborative catalyst system for selective hydrogenation of cinnamaldehyde is developed. The Pt/MIL-101 catalyst is able to efficiently catalyze the selective hydrogenation of the CC group in cinnamaldehyde to hydrocinnamaldehyde at atmospheric pressure and room temperature with >99.9% selectivity at conversions >99.9%. The remarkably enhanced catalytic activity and selectivity of Pt/MIL-101 can be attributed to the synergism effect between highly dispersed Pt and Lewis acid sites. In situ ATR-IR spectroscopic studies and reaction results demonstrated that the Lewis acid sites on MIL-101 suppressed the reactivity of the CO bond in cinnamaldehyde while enhancing the hydrogenation activity of the conjugated CC bond through a strong interaction with the CO bond, which subsequently inhibited the consecutive hydrogenation of the produced hydrocinnamaldehyde. The kinetic parameters of cinnamaldehyde hydrogenation over the Pt/MIL-101 catalyst were investigated, and a kinetic model was established based on the reaction mechanism and compared with experimental observations

Concise Synthesis of Key Intermediates of Pyriftalid and Paquinimod via Hydrogenation Method

An efficient and scalable synthesis of 7-amino-3-methyl­isobenzofuran-1­(3<i>H</i>)-one (<b>1</b>) and 2-amino-6-ethylbenzoic acid (<b>2</b>) has been developed via a one-step catalytic hydrogenation. The triethylammonium salt of 2-acetyl-6-nitrobenzoic acid was used as the starting material and <b>1</b> was prepared in a biphasic solvent system of toluene/H₂O, while <b>2</b> was obtained when the solvent was replaced with H₂O. Intermediates <b>1</b> and <b>2</b> could be used to synthesize Pyriftalid and Paquinimod, respectively

Additional file 2: Table S2. of Model-based clustering with certainty estimation: implication for clade assignment of influenza viruses

Cluster ID from Mclust of the influenza A (H7) HA sequences. (DOCX 29 kb

Stellaria fenzlii Regel

原著和名: エゾフスマ シラオイハコベ科名: ナデシコ科 = Caryophyllaceae採集地: 北海道 広尾郡 広尾町 海岸岩地 (北海道 十勝 広尾町 海岸岩地)採集日: 1985/8/29採集者: 萩庭丈壽整理番号: JH032758国立科学博物館整理番号: TNS-VS-98275

Integration of Nano-Sized HZSM‑5 with ZnZrO_<i>x</i> as a Bifunctional Catalyst to Boost Benzene Alkylation with Carbon Dioxide and Hydrogen

Benzene alkylation with CO2/H2 is a doubly beneficial option to upgrade benzene toward valuable products, in which benzene can be converted into valuable toluene and xylene, while CO2 can be utilized as an alkylation reagent to mitigate the greenhouse effect. It is quite challenging to ascertain the critical rule of zeolite regulation for the synergistic effect in oxide-zeolite composite (OXZEO) catalysts, a series of bifunctional catalysts were investigated in this work, consisting of ZnZrOx solid solution and nano-sized HZSM-5 with uniform size distribution and distinct acid properties. Key parameters affecting the catalyst performance were analyzed and optimized in this tandem reaction, namely, the mass ratio of two components, the SiO2/Al2O3 ratio of HZSM-5, and the proximity between ZnZrOx and HZSM-5. Due to the increased active site accessibility originating from nano-sized HZSM-5, the combined selectivity of toluene and xylene reaches 94.6% at 31.3% benzene conversion, respectively. Moreover, low ethylbenzene selectivity (<1%) has been achieved. It is worth noting that the long-term stability test indicates a faster deactivation in the nano-sized HZSM-5 system as compared with the micro-sized counterpart. Based on EDS mappings, it is found that nano-sized HZSM-5 experiences a more severe metal migration issue, resulting in lower catalyst stability. The reaction mechanism with formate-methoxy intermediates and the synergistic effect of CO2 hydrogenation-alkylation were further confirmed by in situ diffuse reflectance infrared Fourier transformations spectroscopy and gas chromatography–mass spectrometry. By correlating zeolite size and acidity with catalytic performances, these findings could facilitate the further rational design of OXZEO catalysts toward CO2 catalytic conversions

Improved Ethanol Adsorption Capacity and Coefficient of Performance for Adsorption Chillers of Cu-BTC@GO Composite Prepared by Rapid Room Temperature Synthesis

A composite of Cu-BTC and graphite oxide (GO) was prepared by rapid room-temperature synthesis method for thermally driven adsorption chillers (TDCs). A series of composites Cu-BTC@GO with varied GO loading were synthesized at room temperature within 1 min, and characterized by N₂ adsorption test, scanning electron microscopy, powder X-ray diffraction, and Fourier transform infrared analysis. The adsorption isotherms of ethanol on the composites were measured at different temperatures, and then, the isosteric heats of ethanol adsorption were estimated. The composite working capacities and coefficient of performance (COP) of the composite–ethanol working pair were calculated for the application of refrigeration. Results showed that Cu-BTC@GO possessed a superhigh adsorption capacity for ethanol up to 13.60 mmol/g at 303 K, which was attributed to introduction of GO leading to increases in the surface dispersive forces and the mesoporous volume of Cu-BTC@GO. The isosteric heat of ethanol adsorption on Cu-BTC@GO was slightly higher than that of Cu-BTC. The adsorption capacity of Cu-BTC@GO was higher than many other metal–organic frameworks (MOFs) under the application conditions of TDCs. The composites exhibited 5.8–17.4% higher working capacity and energy efficiency than parent Cu-BTC for the application of refrigeration. The rapid room-temperature synthesis approach has potential for the preparation of new MOF-based composites

A Water-Based Nanoformulation for the Pesticide Delivery of Lambda-Cyhalothrin with High Retention on Foliage by Using Aerosol OT Vesicles as Carriers

Lambda-cyhalothrin (LC) is a highly efficient broad-spectrum pesticide in agricultural production, yet its application is limited by weak solubility and poor adhesion to foliage. To develop effective utilization and enhance pesticide adhesion to targets, LC was loaded into a water-based vesicle system formed by aerosol OT (AOT) with a double hydrocarbon chain. The LC-loaded AOT vesicles (LC-AOT) had a high encapsulation efficiency (EE) of 97%. Dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS) measurements showed that LC-AOT vesicles had uniform morphology with a particle size of around 200 nm. The zeta potential and polydispersity index (PDI) values of LC-AOT vesicles were −70.3 mV and 0.20, respectively. Compared with commercial LC formulations, LC-AOT vesicles exhibited better wettability and retention on cabbage leaves. In addition, an insecticidal activity study demonstrated that LC-AOT vesicles exhibited prominent toxicity against Aphis craccivora. This research provided a valuable approach for solving problems of low utilization and little deposition on foliage for water-insoluble LC pesticides

Prognostic value of pretreatment serum carbohydrate antigen 19-9 level in patients with colorectal cancer: A meta-analysis

<div><p>Background</p><p>Carbohydrate antigen 19–9 (CA 19–9) is one of the most frequently used tumor markers for gastrointestinal cancer, particularly for diagnostic purposes. However, its value in predicting prognosis remains controversial. In this study, we sought to clarify this by conducting a meta-analysis of relevant studies.</p><p>Methods</p><p>We systematically searched several databases, including PubMed, EMBASE and Web of Science for articles pertaining to the relationship between pretreatment serum CA 19–9 levels and prognosis in patients with colorectal cancer (CRC). The reported hazard ratios (HR) of overall survival (OS), disease-free survival (DFS), pooled progression-free survival (PFS) and recurrence-free survival (RFS) in the analyzed studies were compared by fixed effects/random effects models.</p><p>Results</p><p>Seventeen studies involving 6434 patients with CRC were included in our meta-analysis. A comprehensive analysis of the collected data revealed that high serum CA 19–9 levels before treatment were significantly associated with poor OS (HR: 1.58, 95% CI: 1.36–1.83, <i>P</i><0.001), DFS (HR: 1.71, 95% CI: 1.38–2.13, <i>P</i><0.001), PFS (HR: 1.30,95%CI:0.93–1.82, <i>P</i> = 0.121) and RFS (HR: 1.43, 95% CI: 1.11–1.83, <i>P</i> = 0.006). This association between high pretreatment serum CA 19–9 levels and poor survival held true across different geographical regions, analysis types, methods used for HR determination, sample size, and treatment methods.</p><p>Conclusions</p><p>The results of this study indicate that pretreatment serum CA 19–9 level can be used as a prognostic indicator for patients with CRC.</p></div

Adsorption of Benzothiophene and Dibenzothiophene on Ion-Impregnated Activated Carbons and Ion-Exchanged Y Zeolites

This work mainly involved the investigation of the adsorption of benzothiophene (BT) and dibenzothiophene (DBT) on transition-metal ion-impregnated activated carbons and ion-exchanged Y zeolites. Five kinds of transition-metal ions, Ag⁺, Ni²⁺, Zn²⁺, Cu²⁺, and Fe³⁺, were separately loaded on activated carbons (ACs) and the Na^I/Y zeolites, respectively. Adsorption isotherms were measured with the static adsorption method. Textual properties of these adsorbents were measured by using ASAP 2010. Results indicated that (1) there was no adsorption of DBT on Na^I/Y because the aperture size of Na^I/Y was smaller than the molecular size of BT, (2) the equilibrium amount adsorbed of BT on Ag^I/Y was the highest within six ion-exchanged zeolites studied and that on Ni^II/Y, Zn^II/Y, Cu^II/Y, and Fe^III/Y became improved in comparison to Na^I/Y, (3) the equilibrium amounts adsorbed of BT and DBT on the modified ACs followed the order: Ag^I/AC > Ni^II/AC > Cu^II/AC > Zn^II/AC > AC > Fe^III/AC, and (4) at low BT concentrations (Cs < 3mmol/L), the ion-exchanged Y zeolites had a higher adsorption capacity of BT compared to the modified ACs because of their larger surface area of micropores, while at higher BT concentrations (7 < Cs < 10 mmol/L), the modified ACs had a higher adsorption capacity of BT because of their much larger surface area