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JOURNAL OF CHEMICAL THERMODYNAMICS · 2020 · IF 2.888

Effect of n-tetradecane with or without n-heptadecane on equilibrium dissociation conditions of carbon dioxide hydrate

Meng-Ling Dai,Zhi-Gao Sun

The isochoric stepwise heating method is used to study the effect of liquid hydrocarbon n -tetradecane and n -tetradecane/ n -heptadecane on the equilibrium dissociation conditions of carbon dioxide hydrate. The addition of n -tetradecane or n -tetradecane/ n -heptadecane reduces carbon dioxide hydrate phase equilibrium pressures . As the temperature increases, the promotion effect of the liquid hydrocarbons is more obvious. The promotion effect of n -tetradecane is stronger than that of the mixture of n -tetradecane and n -heptadecane at higher temperature. The quadruple point of carbon dioxide hydrate with the mixture of n -tetradecane and n -heptadecane ( w  = 0.3363) is almost the same as that of carbon dioxide hydrate in pure water.

CAS / MDL: 629-78-7 629-59-4
研究领域: 化学工程 · 能源科学
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ELECTROCHIMICA ACTA · 2019 · IF 5.383

Highly reactive N,N′-carbonyldiimidazole-tailored bifunctional electrocatalyst for oxygen reduction and oxygen evolution

Wen-Li Xin,Kun-Kun Lu,Dun-Ru Zhu,Hai-Bo Zeng,Xue-Ji Zhang,Robert-S. Marks,Dan Shan

The rational design and synthesis of an efficient bielectrocatalyst for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) by tuning the chemical composition , structure and the catalytic sites of the hybrid materials is always of a great challenge. In this work, an innovative strategy based on the highly active N,N′-carbonyldiimidazole (CDI) is described to one-pot synthesis of a novel precursor for bifunctional O 2- electrocatalyst . The coordination of Co 2+ with the in situ generated ligands imidazole and carbonate results in ultrafine cobalt carbonate (CoCO 3 )-involved cobalt-based zeolitic imidazole framework (CoCO 3 /Co-ZIF). Owing to the presence of ultrafine CoCO 3 , carbonization of CoCO 3 /Co-ZIF at 800 °C under N 2 atmosphere endows the pyrolysis product with a special skeleton of carbon nanotube (CNT)-tipped end CoO x , multivalent CoO x wrapped in graphitic carbon layers. Thus, the resulting CoO x /Co-N-C exhibits the enhanced and durable ORR/OER performance in alkaline media, due to the fast electron and mass transfers. For ORR, a large limiting current density of 4.59 mA cm −2 can be obtained by CoOx/Co-N-C, which is comparable to that of Pt/C. For OER, it only needs an over potential of 1.65 V to achieve a current density of 10 mA cm −2 , merely 30 mV behind IrO 2 (1.62 V).

CAS / MDL: 64-17-5 10026-22-9
研究领域: 材料科学 · 电化学
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JOURNAL OF ORGANIC CHEMISTRY · 2024 · IF 3.3

Hydroalkoxylation of Enamides Catalyzed by N-Heteroarenium Iodides

Rui Sun,Junyi Wang,Haoran Liang,Shuo Li,Xiao Yang

A facile and novel N-heteroarenium iodide-catalyzed hydroalkoxylation of enamides has been described. The protocol provides easy access to N,O-acetals, which proved to be a versatile synthetic synthon. The hydrosulfonylation, hydroamination, and hydrophosphorylation products of enamide could be indirectly provided from N,O-acetals. The reaction mechanism was further investigated, which indicated that the hydroalkoxylation of enamides was driven by weak coordination between enamide and the contact ion pair of N-heteroarenium iodide.

研究领域: 有机化学 · 合成化学
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Frontiers of Chemical Science and Engineering · 2014 ·Vol. 8 ·期 3 ·312-319 · IF 0

Calculation on phase diagrams of polyetherimide/N,N-dimethylacetamide/H2O-BuOH casting system and their relevance to membrane performances

Tan Ming,He Gaohong,Dai Yan,Wang Rujie,Shi Wenhua

The ternary phase diagrams of polyetherimide (PEI)/ N,N -dimethylacetamide (DMAc) with H 2 O and BuOH as non-solvent were simulated using solubility parameter and Flory-Huggins theory. The phase diagrams show that 5.5% H 2 O/BuOH system containing 5% BuOH and 0.5% H 2 O, or 6.5% H 2 O/BuOH system containing 6.2% BuOH and 0.3% H 2 O is required to induce liquid-liquid demixing for 20 wt-% PEI/DMAc casting solution. Therefore, BuOH can enhance the phase separation of the PEI casting solution and hereby induce higher porosity of the membrane, and the diffusion of BuOH into the water coagulation bath causes larger pore size easily compared with DMAc. Our predictions that the membrane pure water flux first increases then decreases, and the rejection ratio of bovine serum albumin decreases with the increasing concentration of BuOH were validated by the experiments using the prepared membranes.

研究领域: 材料科学 · 膜技术 · 化学工程
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MOLECULAR DIVERSITY · 2024 · IF 3.9

Design, synthesis, bioactivity and action mechanism of N-substituted N′-phenylpicolinohydrazides against phytopathogenic fungi

Zhang Yuhao,Bai Ruofei,Du Tengyi,Wang Yiwei,Zhou Bohang,Zhou Congwei,Zhou Le

N ′-phenylpicolinohydrazide has been proven to be a promising lead compound for research and development of novel fungicides for agriculture in our previous study. As our continuing research, in this study, a series of N -substituted derivatives of N ′-phenylpicolinohydrazide were synthesized and explored for the inhibition activity on nine phytopathogenic fungi and action mechanism. The results found that eleven of the compounds had excellent antifungal activity with more than 80% inhibition rates at 50 µ g/mL on part or most of the fungi, especially A. solani and P. piricola . Compounds 5i , 5j and 5k showed EC 50 values of < 8.0 µg/mL against A. solani superior to positive control carbendazim (EC 50  = 36.0 µg/mL) while 5p and 5q exhibited the highest activity with EC 50 values of 2.72 and 2.80 µg/mL against P. piricola superior to positive control boscalid (EC 50  > 50.0 µg/mL). Furthermore, 5k also showed significant protective effect against A. solani infection on tomatoes in a concentration-dependent manner. Action mechanism research showed that 5k was able to increase the intracellular ROS level, change both MMP and permeability of cell membrane and damage mycelial morphology. Molecular docking studies showed that 5k could bind into ubiquinone-binding region of succinate dehydrogenase by hydrogen bonds, π-cation, π–π stacked, π-alkyl, and alkyl interactions. Additionally, the antibacterial activity was also investigated. Thus, N -substituted derivatives of N ′-phenylpicolinohydrazide were emerged as novel and highly promising antifungal molecular skeletons to develop new fungicides for crop protection. Graphic abstract

研究领域: 植物保护 · 农业科学 · 药物化学
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BIORESOURCE TECHNOLOGY · 2023 · IF 11.4

Mechanisms of N, N-dimethylacetamide-facilitated n-hexane removal in a rotating drum biofilter packed with bamboo charcoal-polyurethane composite

Zhaoyun Wang,Liyong Hu,Jiamei He,Gang Zhou,Zhenghui Chen,Zeyu Wang,Jun Chen,Kashif Hayat,Dzmitry Hrynsphan,Savitskaya Tatsiana

n -Hexane and N, N-dimethylacetamide (DMAC) are two major volatile organic compounds (VOCs) discharged from the pharmaceutical industry. To enhance DMAC-facilitated n -hexane removal, we investigated the simultaneous removal of multiple pollutants in a rotating drum biofilter packed with bamboo charcoal-polyurethane composite. After adding 800 mg·L −1 DMAC, the n -hexane removal efficiency increased from 59.4 % to 83.1 % under the optimized conditions. The maximum elimination capacity of 10.0 g·m −3 ·h −1 n -hexane and 157 g·m −3 ·h −1 DMAC were obtained. The biomass of bamboo charcoal-polyurethane and the ratio of protein-to-polysaccharide in extracellular polymeric substances were significantly increased compared with the non-DMAC stage, which is attributed to increased carbon utilization. In addition, Na + K + -ATPase was positively correlated with increasing electron transport system activity, which was 1.98 and 1.36 times greater. Hydrophilic DMAC improved the bioavailability of hydrophobic n -hexane and benefited bacterial metabolism. Co-degradation of n -hexane and DMAC system can be used for other volatile organic pollutants.

CAS / MDL: 127-19-5 110-54-3
研究领域: 环境生物学 · 污染控制工程
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WATER RESEARCH · 2025 · IF 12.4

The combination of Ozone and Mn(II) for efficient removal of ozone-resistant N, N-Diethyl-3-toluamide

Jung-Hyun Son,Wen-Long Wang,Peng-Hui Liu,Hang Su,Ju-Won Lee,Min-Yong Lee,Qian-Yuan Wu

This study investigates the enhancement of ozonation efficiency through the introduction of manganese ions (O 3 /Mn(II)) that significantly improve the degradation of ozone-persistent organic pollutants. Manganese ions accelerate hydroxyl radical generation by catalyzing ozone decomposition, thereby facilitating more effective oxidative reactions. The application of O 3 /Mn(II) to degrade N, N-Diethyl-3-toluamide (DEET) achieved a decomposition efficiency of 3.6 to 4.1 times higher than ozonation alone. The promotive effect was highly pH-dependent, with the observed rate constant ( k obs ) for O 3 /Mn(II) reaching 97.05 M −1 s −1 at pH 4, approximately 3.3 times greater than ozonation alone, and 686.93 M −1 s −1 at pH 7, around 1.7 times higher. O 3 oxidation contributed approximately 1% to the overall process, while hydroxyl radicals accounted for approximately 80%, and manganese species accounted for approximately 20%. Furthermore, the oxidation state of manganese significantly influenced the cooperative oxidation efficiency, with Mn(VII) achieving the highest k obs (680.87 M −1 s −1 ), while Mn(IV) exhibited the lowest (304.6 M −1 s −1 ). Additionally, intermediate products formed during DEET oxidation were identified using Orbitrap technology, elucidating various degradation pathways (such as decarboxylation, tri-hydration, and aromatic ring opening). These findings provide valuable insights into enhancing ozonation processes for environmental remediation.

研究领域: 环境科学 · 化学工程
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JOURNAL OF FLUORESCENCE · 2015 ·Vol. 25 ·期 5 ·1183-1189 · IF 1.927

Characterization of the Aggregation-Induced Enhanced Emission of N,N′-bis(4-methoxysalicylide)benzene-1,4-diamine

Wu Fuyong,Xu Guangjun,Zeng Xi,Mu Lan,Redshaw Carl,Wei Gang

N , N ′-bis(4-methoxysalicylide)benzene-1,4-diamine ( S1 ) was synthesized from 4-methoxysalicylaldehyde and p -phenylenediamine and it was found to exhibit interesting aggregation-induced emission enhancement (AIEE) characteristics. In aprotic solvent, S1 displayed very weak fluorescence, whilst strong emission was observed when in protic solvent. The morphology characteristics and luminescent properties of S1 were determined from the fluorescence and UV absorption spectra, SEM, fluorescence microscope and grading analysis. Analysis of the single crystal diffraction data infers that the intramolecular hydrogen bonding constitutes to a coplanar structure and orderly packing in aggregated state, which in turn hinders intramolecular C-N single bond rotation. Given that the three benzene rings formed a large plane conjugated structure, the fluorescence emission was significantly enhanced. The absolute fluorescence quantum yield and fluorescence lifetime also showed that radiation transition was effectively enhanced in the aggregated state. Moreover, the AIEE behavior of S1 suggests there is a potential application in the fluorescence sensing of some volatile organic solvents.

研究领域: 有机化学 · 材料科学
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RSC Advances · 2018 ·Vol. 8 ·期 20 ·11061-11069 · IF 2.936

Bicyclo[2.2.1]heptane containing N,N′-diarylsquaramide CXCR2 selective antagonists as anti-cancer metastasis agents

Jin-Xin Che,Zhi-Long Wang,Xiao-Wu Dong,You-Hong Hu,Xin Xie,Yong-Zhou Hu

CXCR1 and CXCR2 are CXC chemokine receptors (CXCRs), corresponding to cytokines of the CXC chemokine family. CXCR2 was found to be 77% homologous to CXCR1. Antagonism of the chemokine receptor CXCR2 has been proposed as a new strategy for the treatment of metastatic cancer. In order to find a CXCR2 selective antagonist, a bicyclo[2.2.1]heptane containing N,N′-diarylsquaramide (compound 2e) was identified by introducing a bridge ring system into the N,N′-diarylsquaramide skeleton, and it exhibited good CXCR2 antagonistic activity (CXCR2IC50 = 48 nM) and good selectivity (CXCR1IC50/CXCR2IC50 = 60.4). Furthermore, an in vitro biological assay of compound 2e also demonstrated its good anti-cancer metastatic effect against the pancreatic cancer cell line CFPAC1. In addition, compound 2e showed an extremely high stability in simulated intestinal fluid (SIF) and simulated gastric fluid (SGF), as well as in rat and human plasma, but not in rat and human liver microsomes. In vivo pharmacokinetic studies in rats indicated that 2e has an excellent PK profile (10 mg kg−1 po, Cmax = 2863 ng mL−1, t1/2 = 2.58 h). Moreover, molecular docking was further implemented to propose the preponderant configuration of compound 2e, providing important and useful guidelines for further development.

研究领域: 肿瘤学 · 药理学 · 化学
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Monoethanolamine (MEA) and N,N-dimethylformamide (DMF) with fast absorption rate as nonaqueous absorbent for CO2 capture

Lijiao Ma,Yudong Ding,Xun Zhu,Hong Wang,Min Cheng,Qiang Liao

To address the limitations of amine-based aqueous solutions, nonaqueous mixtures of monoethanolamine (MEA) and N,N-dimethylformamide (DMF) were developed for CO 2 capture. Key factors affecting absorption were systematically investigated, including MEA concentration (10–50 wt%), temperature (30–60 °C), pressure (100–220 kPa) and water content (0–70 wt%). At 30 °C and 140 kPa, the nonaqueous absorbent exhibited a comparable CO 2 absorption capacity to its aqueous solution, while achieving a fivefold increase in absorption rate. Thermogravimetric (TG) analysis revealed that the thermal decomposition temperature of 30 wt%MEA-DMF was 83 °C, which was higher than that of the aqueous solution (70 °C), indicating improved thermal stability. The reaction mechanism was elucidated through Fourier transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), pH and conductivity measurements, density functional theory calculations and molecular dynamics simulations. The solvent interactions in water-lean systems were found to impair absorption performance. CO 2 could react with MEA in nonaqueous environments to form carbamic acid, carbamate, and protonated MEA. The DMF component significantly enhanced the absorption rate by facilitating deprotonation. Overall, MEA-DMF solutions had superior CO 2 absorption capacity, faster reaction rate and greater thermal stability, without undergoing phase change. Additionally, the low evaporability, specific heat capacity, and evaporation enthalpy of DMF suggest reduced energy requirements for solvent regeneration. These findings support the potential of MEA-DMF systems as viable alternatives to conventional aqueous amine solutions for CO₂ capture.

研究领域: 化学工程 · 环境科学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2015 · IF 2.752

pH-switchable wormlike micelle formation by N-alkyl-N-methylpyrrolidinium bromide-based cationic surfactant

Zhihu Yan,Caili Dai,Mingwei Zhao,Guang Zhao,Yuyang Li,Xuepeng Wu,Mingyong Du,Yifei Liu

A non-covalent bonding method is utilized for forming pH-switchable wormlike micelles system by mixing N -hexadecyl- N -methylpyrrolidinium bromide-based cationic surfactant and pyrocatechol. The peculiarity of this system is that it has high viscoelasticity at acidic conditions and alkaline conditions, while it shows water-like behaviors at neutral conditions. Rheology, dynamic light scattering, and cryogenic-transmission electron microscopy results revealed that the microstructure transition between spherical micelles and wormlike micelles was the fundamental cause of the pH-switchable rheological properties. The unusual rheological and micellar responses of this system to pH are caused by different binding capacity of hydrotrope to C 16 MPBr as pH varies. Fluorescence analysis and nuclear magnetic resonance result support this hypothesis.

研究领域: 胶体化学 · 物理化学
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JOURNAL OF SUPERCRITICAL FLUIDS · 2012 · IF 2.86

Supercritical N,N-dimethylformamide exfoliation of the layered bulk titanate material into titania nanosheets

Guoxin Hu,Lixi Yi,Changqing Liu

Titania nanosheets with {0   0   1} facets were produced by the supercritical N,N-dimethylformamide (SC-DMF) fluid exfoliation of the layered bulk titanate material. X-ray diffraction (XRD) analysis and scanning electron microscopy (SEM) showed the starting titanate crystals with layered structure; SEM, atomic force microscopy (AFM) and transmission electron micrographs (TEM) demonstrated the obtained two-dimensional nanosheets with a thickness of 1.3   nm around and lateral dimensions of several microns; ultraviolet–visible (UV–vis) spectroscopy characterized the optic properties of the nanosheets with uniformity and the disassembly of layered structure. Absorbance peak is centered at 301   nm and the molar extinction coefficient is 1.01   ×   10 2   mol −1   dm 3   cm −1 ; thermogravimetric analysis (TGA) of the sediments revealed that the weight loss in the case of ice-cold water cooling was the least. The course of the SCF exfoliation was explained to be rapid intercalation and swollen exfoliation by thermal stress. Restacking of exfoliated nanosheets was shown by the in situ XRD technique, and ratios of the obtained single layers in the working conditions of furnace cooling, air cooling and ice-cold water cooling are increased up to 7.8%.

研究领域: 材料科学 · 化学工程
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