JOURNAL OF MOLECULAR STRUCTURE
·
2024
·
IF 4
Tianyang Hou,Yuangang Xu,Ze Xu,Xiaopeng Zhang,Ming Lu
The formation of non-metallic pentazolate salts from the combination of simple nitrogen-rich cations with cyclo -N 5 − is expected to be applied in propellants and explosives. In this work, a series of structurally similar cations ([NH 3 CH 3 ] + , [NH 2 (CH 3 ) 2 ] + , [NH(CH 3 ) 3 ] + , and [N(CH 3 ) 4 ] + ) were used to synthesize four cyclo -N 5 − containing energetic salts, and the contribution of crystal stacking mode, hydrogen bonding, C–H··· π and π -stacking interactions in the stabilization of cyclo -N 5 − salts has been investigated by geometrical and Hirshfeld surface analyses as well as theoretical calculations. All salts have been thoroughly characterized by single-crystal X-ray diffraction, infrared (IR), multinuclear NMR ( 1 H and 13 C) spectroscopy, and elemental analysis. The decomposition temperatures of all salts are higher than 75 °C, as measured by thermogravimetric (TG). These compounds all show low sensitivities (IS ≥ 35 J, FS > 360 N) measured by standard BAM methods. Their heats of formation and detonation performances were calculated using the Born–Haber energy cycle and K-J method (“Pilem” program), respectively. This study has great significance for future design and synthesis of cyclo -N 5 − containing energetic materials.
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2025
·
IF 2.2
Lijiao Ma,Yudong Ding,Yi Zhang,Xun Zhu,Hong Wang,Min Cheng,Qiang Liao
To reduce CO 2 emissions and address issues with conventional amine-based aqueous absorbents, a mixed nonaqueous solution of monoethanolamine (MEA) and N , N -dimethylformamide (DMF) was proposed. The density, dynamic viscosity and refractive index of fresh MEA-DMF solutions (10-50 wt% MEA) and CO 2 -loaded solutions (0.10–0.51 mol CO 2 ·(mol MEA) −1 ) were measured across the temperature range of 298.15–333.15 K. The values for fresh solutions were correlated with concentration and temperature using the Jouyban-Acree model (JAM) and an exponential equation. Then the results after CO 2 absorption were derived from the CO 2 loading amount. Additionally, CO 2 absorption performance of MEA-DMF with various concentrations at 303.15–333.15 K and 9.64–134.52 kPa was assessed to determine gas-liquid equilibrium and develop semi-empirical correlations. Nuclear magnetic resonance (NMR) analysis confirmed that carbamate was the primary product formed after CO 2 absorption in the nonaqueous absorbent. These studies provide essential data for equipment design and absorbent optimization. MEA-DMF solutions demonstrate favorable viscosity and CO 2 absorption performance, supporting the potential use of nonaqueous absorbents in industrial CO 2 capture technologies.
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Catalysts
·
2025
·Vol. 15
·期 9
·850
·
IF 4
Qiongqiong He,Xuewen Wu,Ping Ma,Zhaoyang Song,Xiaoqi Wu,Ruize Gao,Zhenyong Miao
Phenol is a refractory organic pollutant that is difficult to degrade in wastewater treatment, and efficiently and stably degrading phenol presents a significant challenge. In this study, iron-doped humic acid-based nitrogen–carbon materials were prepared to activate peroxymonosulfate (PMS) for the degradation of phenol. The Fe-N-C/PMS system achieved a phenol degradation rate of 99.71%, which follows a first-order kinetic model, with the reaction rate constant of 0.1419 min−1. The phenol degradation rate remained above 92% in inorganic anions (Cl−, SO42−, HCO3−) and humic acid and the system maintained a 100% phenol removal rate over a wide pH range (3–9). The iron in the catalyst predominantly exists in the forms of Fe0and Fe3C, and Fe0, Fe2+/Fe3+are the main active sites that promote PMS activation during the reaction. Additionally, Fe-N-C has a large specific surface area (1041.36 m2/g). Quenching experiments and electron spin resonance (ESR) spectroscopy detected the active free radicals in the Fe-N-C/PMS system: SO4•−, •OH, O2•−, and1O2. The mechanism for phenol degradation was discussed, involving radical pathways (SO4•−, •OH, O2•−) and the non-radical pathway (1O2), in the Fe-N-C/PMS system activated by Fe0, Fe2+/Fe3+, sp2hybridized carbon, C-O/C-N, C=O, and graphitic nitrogen active sites. This study provides new insights into the synthesis of efficient carbon-based catalysts for phenol degradation and water remediation.
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SENSORS
·
2018
·Vol. 18
·期 10
·3358
·
IF 2.475
Xuemei Wu,Xiaoqing Bai,Yang Ma,Jie Wei,Juan Peng,Keren Shi,Huiqin Yao
In this work, binary hydrogel films based on carboxylated multi-walled carbon nanotubes/poly(N,N-diethylacrylamide) (c-MWCNTs/PDEA) were successfully polymerized and assembled on a glassy carbon (GC) electrode surface. The electroactive drug probes matrine and sophoridine in solution showed reversible thermal-, salt-, methanol- and pH-responsive switchable cyclic voltammetric (CV) behaviors at the film electrodes. The control experiments showed that the pH-responsive property of the system could be ascribed to the drug components of the solutions, whereas the thermal-, salt- and methanol-sensitive behaviors were attributed to the PDEA constituent of the films. The CV signals particularly, of matrine and sophoridine were significantly amplified by the electrocatalysis of c-MWCNTs in the films at 1.02 V and 0.91 V, respectively. Moreover, the addition of esterase, urease, ethyl butyrate, and urea to the solution also changed the pH of the system, and produced similar CV peaks as with dilution by HCl or NaOH. Based on these experiments, a 6-input/5-output logic gate system and 2-to-1 encoder were successfully constructed. The present system may lead to the development of novel types of molecular computing systems.Keywords:electrocatalysis;encoder;logic gate;matrine;sophoridine
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PubMed
高影响因子
Frontiers of Chemical Science and Engineering
·
2014
·Vol. 8
·期 3
·312-319
·
IF 0
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.
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RSC Advances
·
2018
·Vol. 8
·期 15
·7924-7931
·
IF 2.936
Yanling Wang,Yongfei Li,Qian Wang,Qiang Li,Yue Zhang,Lin Yuan
The wettability of a rock’s surface is a vital factor for gas flow and fracturing fluid backflow. As a result of this, novel and effective gas wetting alteration agents are required. In this work, a gas-wetting alteration agent, N,N-bis(perfluorooctyl)imine acetate sodium, was synthesized and characterized by different methods. The wettability of a rock’s surface was evaluated by contact angle and imbibition measurements, the Owens two-liquid method and glass capillary tube rise testing. The results showed that after treatment with 0.5 wt% N,N-bis(perfluorooctyl)imine acetate sodium the contact angles of water and n-hexadecane on the surface of the rock increased from 36° and 0° to 140° and 119°, respectively. The surface free energy rapidly reduced from primeval 72 mN m−1 to 3.4 mN m−1 after treatment with 0.3 wt% N,N-bis(perfluorooctyl)imine acetate sodium. These values agreed with the imbibition measurements and the results of the glass capillary tube rise testing. Moreover, analysis by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) showed that the roughness of the rock surface significantly increased. The above results fully proved that the wettability of the rock surface is altered from its original water-wetting or oil-wetting to gas-wetting. Furthermore, thermal analysis demonstrated that the gas-wetting alteration agent has good thermal stability, which indicates its great potential to be used as a gas-wetting alteration agent for unconventional gas reservoirs under high temperature conditions.
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INORGANIC CHEMISTRY
·
2017
·
IF 4.857
Guang-Ning Liu,Xiao-Ming Jiang,Qing-Shun Fan,Muhammad Bilal Hussain,Ke Li,Hui Sun,Xin-Yu Li,Wan-Qing Liu,Cuncheng Li
In situ alkylation or protonation reactions on the thiazolyl-N donors of benzothiazole (btz) and its derivative 2-aminobenzothiazole (abtz) occurred to form four structure directing agents (SDAs), which feature different structure directing abilities and hydrophobicities. The thiazolyl-N alkylated and protonated btz cations direct to form an α-type (AgI2)− iodoargentate chain in (Etbtz)(AgI2) (1), (Prbtz)(AgI2) (2), and (Hbtz)(AgI2) (3), respectively, while the thiazolyl-N protonated abtz cation directs to form a new type of (Ag2I3)− anionic chain in (Habtz)(Ag2I3) (4). Compounds 1 and 4 represent the first noncentrosymmetric (NCS) hybrid iodoargentates with organic S-containing N-heterocycle derivative cations as SDAs. Further, 1 exhibits high water stability and is second harmonic generation (SHG) active with a response about twice that of KDP (KH2PO4). Importantly, the water stability studies indicate that hybrid iodoargentates with hydrophobic N-alkylated SDAs are more stable in water than those with relative hydrophilic N-protonated SDAs.
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PubMed
高影响因子
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
·
2013
·Vol. 160
·期 11
·H787
·
IF 2.588
Mi Ouyang,Zhiyan Fu,Xiaojing Lv,Bin Hu,Pingjing Wang,Senbiao Huang,Yuyu Dai,Cheng Zhang
Copolymer based on 4-(9H-carbazol-9-yl)-N,N-diphenylaniline (CDPN) and 3,4-ethylenedioxythiophene (EDOT) was electrochemically synthesized and characterized. Through electrochemical methods, FTIR spectroscopy and scanning electron microscopy (SEM) analysis, the resulting polymer was confirmed to be a copolymer rather than a blend or a composite of the respective homopolymers. Besides, the spectroelectrochemical and electrochromic properties of the copolymer (P(CDPN-co-EDOT)) films were investigated. According to the spectroelectrochemical analysis, the copolymer film revealed distinct electrochromic properties with four colors: claret red, green, cadetblue, and blue. At the neutral state of the copolymer, the π-π* transition absorption peak was located at 530 nm and the energy gap was calculated as 1.67 eV. The copolymer film showed a maximum optical contrast (ΔT%) of 36% in visible region with a switching time of 1.8 s and 43% in the near-IR region with a switching time of 2.5 s. The coloration efficiency (CE) of P(CDPN-co-EDOT) were calculated to be 332 cm2·C−1 (at 530 nm), 277 cm2·C−1 (at 810 nm) and 552 cm2·C−1 (at 1100 nm). Repeated cyclic voltammograms indicated that the copolymer had reasonable stability because of the existence of EDOT units.
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Systems Microbiology and Biomanufacturing
·
2022
·Vol. 2
·期 3
·507-522
·
IF 0
Du Juanjuan,Zhang Liang
N -methyl- d -aspartic acid (NMDA), an amino acid existing in human and animal central nervous system, exerts agonist action on one of the glutamate receptor subtypes and is clinically used for treatment of diabetes, Parkinson’s and Alzheimer’s syndrome. In this study, an enzymatic protocol for the chiral resolution of N -methyl- d , l -aspartic acid was built with a predicted N -demethylase (GenBank ID: OJV90073.1) from the genome of Chloroflexi bacterium 54-19. Through sequence alignment, the enzyme shares an identity of 32.19% to 2UZZ (PDB ID) with a conserved catalytic center. Recombinantly expressed in Bacillus subtilis WB600 , the N -demethylase was characterized with optimal temperature and pH at 55 ℃ and 7.5, and adaptive temperature and pH were 40–60 ℃ and 6–8. The effects of organic solvents and metal ions were investigated as well. Compared with other previously reported sarcosine oxidases, the enzyme showed a specific N -demethylation activity against N -methyl- l -aspartic acid according to the analysis by chiral liquid chromatography, LC–MS/MS and a detection by polarimeter. The results demonstrated 76% of 4.5 mM N -methyl- d , l -aspartic acid could be chirally separated by 7 mg·L −1 enzyme after reaction of 80 min. This work provided a foundation for mild synthesis of NMDA in industry. Graphical abstract
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Polymer Chemistry
·
2018
·Vol. 9
·期 13
·1674-1683
·
IF 4.927
Liguo Xu,Fan Zhou,Min Liao,Rongrong Hu,Ben Zhong Tang
The development of a new polymerization methodology affords polymer materials with new structures and functionalities. Multicomponent polymerizations (MCPs) as a facile tool for preparing multifunctional polymers with complicated structures have attracted increasing attention from polymer scientists, owing to their high efficiency, high atom economy, simple procedure, structural diversity, and environmental benefit. In this work, a series of efficient one-pot multicomponent polymerizations of diynes, disulfonyl azides, and N-protected isatins are developed to afford oxindole-containing poly(N-acylsulfonamide)s with advanced properties. After optimization of the polymerization conditions, the MCP can proceed smoothly at room temperature or 30 °C in dichloromethane/t-BuOH with CuI as the catalyst and LiOH as the base, generating poly(N-acylsulfonamide)s with high molecular weights of up to 30 600 g mol−1 in excellent yields of up to 98%. This MCP enjoys general applicability of a series of electron-rich or electron-deficient alkynes and alkyl group or aromatic group-substituted isatins, generating six poly(N-acylsulfonamide)s from different combination of monomers, and nitrogen gas as the only byproduct, demonstrating high atom economy and environmental benefit. The obtained poly(N-acylsulfonamide)s can be dissolved in alcohol or alcohol/water mixtures, but cannot be dissolved in THF or dichloromethane, which show opposite solubility after the polymers are acidified with HCl, indicating reversibly tunable hydrophilicity of the polymers. Furthermore, water can participate in the MCP as the fourth component when the MCP is conducted in DMF with CuI as the catalyst and Na2CO3 as the base, generating random copolymers consisting of 3-alkenyloxindole moieties and two chiral center-containing 3-hydroxyindole moieties in the backbone. Some of the oxindole-containing poly(N-acylsulfonamide)s exhibit yellow to red emission in their solid state. These MCPs provide an efficient approach for the synthesis of functional polymers with unique structures, which directly build the oxindole and N-acylsulfonamide moieties in situ, demonstrating high synthetic efficiency.
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高影响因子
CRYSTENGCOMM
·
2018
·Vol. 20
·期 8
·1151-1157
·
IF 3.304
Qiangwen Fan,Xiaowei Duan,Hong Yan
The solid state [2 + 2] photocycloaddition of N,N′-diacyl-1,4-dihydropyrazines has been investigated using thiourea as a template to preorient the reactants in the crystalline state in a manner that is beneficial for the [2 + 2] photocycloaddition. The structures of the photoadducts, syn-dimers and cage-dimers, were determined using NMR and single-crystal X-ray diffraction. According to the topochemical principles used to assess the feasibility of solid state photochemical [2 + 2] cycloaddition, topological analysis of cocrystals consisting of the N,N′-diacyl-1,4-dihydropyrazines and thiourea, as well as the syn-dimers, was performed to investigate the influence of packing modes and non-covalent interactions on their solid state photoreactivity. The results showed that the solid state [2 + 2] reactivities of both the N,N′-diacyl-1,4-dihydropyrazines assembled using thiourea and the syn-dimers were controlled by the topochemical orientation of the potentially reactive double bonds and the H-bonding interactions within the adjacent reactive molecules.
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高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
·
2019
·
IF 14.229
Huimin Hao,Ji-Long Shi,Hui Xu,Xia Li,Xianjun Lang
TiO 2 is the most established semiconductor photocatalyst . The prominence of TiO 2 is becoming increasingly obvious because its interfacial redox reactions have implication on a wide range processes such as energy conversion and environmental remediation. Herein, we exploited the surface complex created by the interaction between organic molecules with binding sites and accommodating surface of TiO 2 for visible light-driven selective aerobic oxidation reactions. A novel surface complex formed between N -hydroxyphthalimide (NHPI) and TiO 2 was discovered. The NHPI-TiO 2 complex turned out to be an outstanding visible light photocatalyst and was successfully used in the selective oxidation of amines into imines with atmosphere O 2 under blue LED irradiation. The stability of the NHPI-TiO 2 complex was preserved by 3 mol% of (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) acting as a cooperative catalyst. Moreover, selectivities for the imine products were also promoted by TEMPO. Superoxide anion radical (O 2 − ) were evidenced to be the primary reactive oxygen species (ROS) to execute the oxidative conversions. This work suggests that TiO 2 surface complexes can be robust photocatalysts for visible light-driven selective aerobic reactions, provided that an appropriate cooperative redox catalyst exists to channel the photocatalytic electron transfer.
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