JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Xiuhua Hao,Shuni Li,Quanguo Zhai,Yucheng Jiang,Mancheng Hu
The (solid + liquid) equilibrium (SLE) and (liquid + liquid) equilibrium (LLE) of RbCl/CsCl + ethylene carbonate (EC) + H 2 O ternary systems were carefully investigated at 298.15 K. The SLE and LLE data were correlated by the corresponding equations respectively. Furthermore, the thermodynamic properties of RbCl/CsCl in the EC–water systems were determined by potentiometric method at T = 298.15 K. The experiment data were correlated by the Pitzer, modified Pitzer and the extended Debye–Hückel equations. The mean activity coefficients, osmotic coefficients and excess Gibbs free energies, standard Gibbs free energy of transfer and the standard solubility product of systems were calculated. The mean activity coefficient γ ± decreases with the increase of the molality of electrolyte at the fixed mass fraction of EC. But γ ± vary abnormally with the increase of the EC content. The result of Δ G t 0 reflects the spontaneously transfer of the electrolytes from water to the mixed solvents.
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JOURNAL OF CHEMICAL THERMODYNAMICS
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2017
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IF 2.726
Jing Zhang,Chunying Zhu,Youguang Ma
The densities and viscosities of the ternary mixtures of glycine, l -alanine, l -valine, l -threonine and l -arginine in aqueous maltitol solutions were measured at T = (293.15–323.15) K under the atmospheric pressure. The apparent molar volume ( V φ ), the limiting partial molar volume ( V φ 0 ) and the limiting partial molar volume of transfer (Δ tr V φ 0 ) were obtained in terms of the measured density, then the viscosity B -coefficient was further calculated by the least-square method. Meanwhile, the partial molar isobaric expansion ( E 2 0 ), the isobaric thermal expansion coefficient ( α 2 ), the solvation number ( n S ), the free energies of activation per mole of solvent (Δ μ 1 0≠ ) and per mole of solute (Δ μ 2 0≠ ) were also calculated. The volumetric and viscometric properties were analyzed and discussed according to the interactions between amino acids and maltitol molecules based on the co-sphere overlap model and the transition state theory.
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JOURNAL OF MOLECULAR LIQUIDS
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2017
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IF 3.648
Jie Li,Xinwei Zhang,Quanjie Liu,Zequn Yin
The solubilities of 1,3,5-trioxane were measured by a dynamic method in binary solvents (methanol-water, ethanol-water, isopropanol-water and dimethoxymethane-water) at the temperature range (288.15 to 328.15) K at atmosphere pressure. The solubility increased with increasing of temperature in all case, indicating that the dissolution process of 1,3,5-trioxane was endothermic. In addition, the experimental solubility of 1,3,5-trioxane in binary solvents at different temperatures were correlated by the (CNIBS)/Redlich–Kister model, the modified Apelblat model, Wilson model and NRTL equation. The calculated values were in good agreement with the measured experimental data. The (CNIBS)/Redlich–Kister model and modified Apelblat model were in agreement with the experimental solubility in all the binary solvents. The Wilson model was suitable for the binary solvent of methanol-water and dimethoxymethane-water. NRTL equation was suitable for the all in agreement with the experimental solubility in the binary solvent except the isopropanol–water.
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Natural Products and Bioprospecting
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2016
·Vol. 6
·期 6
·297-303
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IF 0
Geng Chang-An,Chen Ji-Jun
Swerilactones H–K ( 1 – 4 ) as four unprecedented secoiridoid trimers represent a new type of natural product, which has attracted much interest of natural chemists due to their novel skeletons and promising bioactivity. In order to well understand their MS fragmentation behaviors, they were investigated by electrospray ionization ion-trap time-of-flight multistage product ion mass spectrometry (ESI-IT-TOF-MS n ) for the first time. The protonated molecules ([M+H] + ) of swerilactones J and K, and deprotonated molecules ([M−H] − ) of swerilactones H, J and K were readily observed in the conventional single-stage mass spectra (MS); however only the [M+Cl] − ion for swerilactone I was obtained in negative mode. Based on the MS n study, the fragmentation pathways of swerilactones H and I in negative mode, and swerilactones J and K in both positive and negative modes were proposed. The neutral losses of H 2 O, CO, CO 2 and C 2 H 4 O moieties are the particular elimination from the precursor ions due to the presence of hydroxyl, δ -lactone and 1- O -ethyl moieties in their structures, of which the retro-Diels–Alder cleavage was the most particular dissociation. The fragment ions at m/z 341 and 291 in negative mode can be considered as the diagnostic ions for secoiridoid trimers. This investigation will provide valuable information for their fast characterization from complicated natural mixtures and extensive understanding their structural architectures.
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KINETICS AND CATALYSIS
·
2024
·Vol. 65
·期 3
·251-260
·
IF 1.3
Yang Zhi,Luo Mingsheng,Liu Qinglong,Li Chenmeng,Wang Yatao,Li Hongjuan,Yao Lifei
Abstract The direct production of higher alcohols from syngas in a single step remains a great challenge. In this work, a series of K and Ni promoted Mo 2 C/Al 2 O 3 catalysts were prepared by impregnation method to enhance the selectivity of Mo 2 C-based catalysts for the one-step conversion of syngas to higher alcohols. The catalysts were continuously tested under the following conditions: 300°C, 3.0 MPa, velocity—11.50 \({\text{Lg}}_{{{\text{Mo}}}}^{{ - 1}}\) h –1 , H 2 /CO ratio of 2. The catalysts promoted with K and Ni demonstrated the highest total alcohol selectivity of 67.7%. Moreover, the selectivity for total C 2+ alcohols reached as high as 56%, with 37% being ethanol. X-ray diffraction (XRD), hydrogen temperature-programmed reduction (H 2 -TPR) and X-ray photoelectron spectroscopy (XPS) characterization data reveal that K can promote the crystallinity of β-Mo 2 C, lower the catalyst reduction temperature and increase the proportion of high-valent Mo on the catalyst surface. In addition, adding Ni as a promoter to the KMo 2 C/Al 2 O 3 catalyst can generate a synergistic effect to further enhance the catalytic activity and the selectivity of higher alcohols.
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JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
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2024
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IF 2.5
Zelai Cheng,Xi Wang,Xingyu Huo,Yulan Jing,Hua Su
Ni 0.42-x/3 Nb x /3 Cu 0.18 Zn 0.4 Mn x Fe 1.98− x O 4− δ ( x = 0–0.1) materials, possessing a high saturation magnetization, high dielectric constant, and narrow ferromagnetic resonance linewidth, were prepared via the solid-phase reaction method. The cation distribution, as well as the dielectric and gyromagnetic properties, were studied in detail. Mn 2+ and Nb 5+ incorporated in the lattice occupy tetrahedral site, causing the redistribution of cation and the reduction of A–B superexchange interaction. This leads to an increase in saturation magnetization followed by a decrease. The introduction of appropriate amounts of Mn 2+ and Nb 5+ ions reduces the magnetocrystalline anisotropy constant | K 1 | and thus reduces the ferromagnetic resonance linewidth ( ΔH ). Furthermore, high polarisability of Mn 2+ and Nb 5+ causes the increase in the dielectric constant of the ferrites. At x = 0.08, excellent gyromagnetic and dielectric properties, including a high dielectric constant ( ε ’ = 15.4@100 MHz), high saturation magnetization (4π M s = 4577 G), and narrow ferromagnetic resonance linewidth (Δ H = 129 [email protected] GHz) for the NiCuZn ferrite, was achieved. Finally, a K-band microstrip circulator operating at 20.8 to 28 GHz was designed. The simulation showed that the isolation of the circulator in the working frequency band is greater than 20 dB, showing the potential of the prepared ferrites in microwave circulators.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
·
IF 2
Shouxiang Jiang,Kai Fu,Xiangyu Sun,Xin Huang,Wenjun Xie,Chengfei Wang,Haoran Li,Xia Jiang,Yongjin Zou,Gengxiu Zheng,Guan Wang
The solubilities of glutathione in four binary solvent mixtures (water + acetone, water + 1,4-dioxane, water + acetonitrile, and water + tetrahydrofuran) were measured using a dynamic laser monitoring method at temperatures ranging from 278.15 to 318.15 K. The molar fraction solubility of glutathione in the binary solvent increased with increasing water content and temperature. The modified Apelblat, CNIBS/R-K, Van’t Hoff–Jouyban–Acree, Apelblat–Jouyban–Acree, and NRTL were applied to calculate the solubility of glutathione in these mixtures. The relative average deviation and root-mean-square deviation indicated a good correlation between the experimental and model solubility data. In addition, the KAT-LSER model was used to evaluate the solvent effect in the solvent–solvent and solvent–solute interactions. The results showed that the nonspecific dipolarity/polarizability interactions between the solvent and the solute were the main influencing factors, followed by the hydrogen bonding interactions between the solvent and the solute.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
·
IF 2.323
Qingsong Li,Midong Shi,Liping Wang,Gaoyin He,Fan Gan
The liquid–liquid equilibrium (LLE) experiments for n-butanol + n-hexane + ethylene glycol were carried out and LLE data were measured at 298.15, 303.15, 308.15, 313.15, and 323.15 K under atmospheric pressure. The analysis results of the effects of n-butanol content and temperature on extraction showed that high n-butanol content was not favorable for extraction, and temperature had little effect on extraction. Moreover, the NRTL and UNIQUAC models were applied to correlate the LLE data, and the correlated data indicated that the UNIQUAC model showed a better correlation performance.
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JOURNAL OF ETHNOPHARMACOLOGY
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2024
·
IF 4.8
Danilo de Souza Costa,Rayssa A. Cajas,Carla Monteiro Leal,Lara S. Aleixo de Carvalho,Lara Cruz de Souza,Lucas Fukui-Silva,Josué de Moraes,Ademar A. Da Silva Filho
Ethnopharmacological relevance Acmella oleracea (L.) R. K. Jansen, commonly referred to as “Jambu”, is a valuable medicinal plant native to the Amazon regions. Inflorescences of A. oleracea is utilized as local anesthetic properties and for its insecticidal, antiparasitic, and anthelmintic attributes. Aims of this study This study aimed to evaluate the in vitro and in vivo antiparasitic properties of A. oleracea extract and spilanthol (SPL) against Schistosoma mansoni . Materials and methods The ethanolic extract of A. oleracea inflorescences (AoE) was prepared, analyzed by HPLC-DAD, and characterized by UHPLC-HRMS/MS. SPL was isolated from AoE by chromatographic fractionation. The antischistosomal properties of AoE and SPL were evaluated in vitro against adult schistosomes and in preclinical assays using murine models of patent S. mansoni infection. Results Through UHPLC-HRMS/MS analysis, 14 alkamides were annotated in AoE. HPLC-DAD analysis of AoE revealed a peak with a substantial relative area of ∼85%, which was isolated and identified as SPL. AoE and SPL caused mortality of adult schistosomes ex vivo , showing EC 50 values of 32.6 μg/mL and 27.8 μM, respectively, without affected Vero cells or Caenorhabditis elegans . In preclinical studies, the oral administration (400 mg/kg) of AoE and SPL resulted in significant reductions in worm burden of 28% and ∼42%, respectively. Additionally, SPL exhibits remarkable effects on oogram, decreasing egg burden and the number of immature eggs by over 80%, while also promoting significant reductions in hepato- and splenomegaly. Conclusions The research underscores the antischistosomal activity of A. oleracea highlighting the potential of SPL as a lead for the development of new schistosomicidal drugs and encouraging further studies to validate the traditional anthelmintic use of A. oleracea inflorescences.
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ACS Applied Materials & Interfaces
·
2024
·
IF 8.3
Rui Zhu,Peng Sun,Guofeng Cui,Jie Zhao,Yaoguang Yu
Ion transportation via the mixed mechanisms of hydrogels underpins ultrafast biological signal transmission in nature, and its application to the rapid and sensitive sensing detection of human specific ions is of great interest for the field of medical science. However, current research efforts are still unable to achieve transmission results that are comparable to those of bioelectric signals. Herein, 3D interconnected nanochannels based on poly(pyrrole-co-dopamine)/poly(vinyl alcohol) (P(Py-co-DA)/PVA) supernetwork conductive hydrogels are designed and fabricated as stimuli-responsive structures for K+ ions. Distinct from conventional configurations, which exhibit rapid electron transfer and permeability to biosubstrates, interconnected nanofluidic nanochannels collaborated with the P(Py-co-DA) conductive polymer in the supernetwork conductive hydrogel significantly improve conductivity (88.3 mS/cm), ion transport time (0.1 s), and ion sensitivity (74.6 mV/dec). The faster ion response time is attributed to the synergism of excellent conductivity originating from the P(Py-co-DA) polymer and the electronic effect in the interconnected nanofluidic channels. Furthermore, the supernetwork conductive hydrogel demonstrates K+ ion selectivity relative to other cations in biofluids such as Na+, Mg2+, and Ca2+. The DFT calculation indicates that the small solvation energy and low chemical transfer resistance are the main reasons for the excellent K+ ion selectivity. Finite element analysis (FEA) simulations further support these experimental results. Consequently, the P(Py-co-DA)/PVA supernetwork conductive hydrogels enriched with the 3D interconnected nanofluidic channels developed in this work possess excellent sensing of K+ ions. This strategy provides great insight into efficient ion sensing in traditional biomedical sensing that has not been explored by previous researchers.
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Acta Biomaterialia
·
2025
·
IF 9.6
Haoyi Sun,Shan Sun,Henggang Wang,Ke Cheng,Yonghua Zhou,Xinxin Wang,Shang Gao,Jinhong Mo,Si Li,Hengwei Lin,Peng Wang
Nanohybrids combining phenylboronic acid-modified carbon dots (PCDs) and proteinase K have been engineered for addressing the formidable challenges of antimicrobial photodynamic therapy (aPDT) against bacterial biofilm infections, overcoming biofilm barrier obstruction, the limited diffusion of reactive oxygen species (ROS), and the inadequate ROS generation of traditional photosensitizers. PCDs are formulated for superior water solubility and robust singlet oxygen ( 1 O 2 ) production, mitigating issues related to dispersion and aggregation-induced quenching typical of conventional photosensitizers. The conjugation of phenylboronic acid to CDs not only enhanced 1 O 2 generation through increased electron-hole separation but also imparted strong bacterial binding capabilities to the PCDs, enabling broad-spectrum sterilization by maximizing the ROS-mediated bacterial destruction. Proteinase K, serving as a structural “glue”, actively breaks down biofilms and facilitates the deep penetration of functional PCDs, aiding effective treatment of biofilm infections. In vivo studies confirm that PCDs-proteinase K nanohybrids dramatically accelerate healing in biofilm-infected wounds by synergizing enhanced photosensitization, potent bacterial adherence, and efficient biofilm elimination and penetration. This approach highlights a straightforward strategy to significantly advance aPDT, promoting the clinical adoption of non-antibiotic methods for combating bacterial biofilm infections. Statement of Significance 1) Phenylboronic acid-modified carbon dots (PCDs) were designed for enhanced water solubility and efficient singlet oxygen generation through surface modulation, also suggesting that surface modification can improve the inherent photosensitizing activity of CDs by promoting electron-hole separation; 2) The conjugation of phenylboronic acid endowed PCDs with strong bacterial binding capabilities, enabling highly efficient and broad-spectrum sterilization by maximizing reactive oxygen species-mediated bacterial destruction; 3) Incorporation of proteinase K (PK) leveraged its specific extracellular polymeric substance degrading capability, along with the stimuli-responsive release of PCDs from the PCDs-PK nanohybrids, facilitating biofilm breakdown and enabling deeper penetration of PCDs, thereby improving the treatment of biofilm infections
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INORGANIC CHEMISTRY
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2016
·
IF 4.82
Bing-Ping Yang,Chun-Li Hu,Xiang Xu,Jiang-Gao Mao
A new series of platinum iodates, namely, α-(H3O)2Pt(IO3)6, β-(H3O)2Pt(IO3)6, and A2Pt(IO3)6 (A = Na, K, Rb, Cs), have been synthesized. Interestingly, among these six stoichiometrically identical compounds, α-(H3O)2Pt(IO3)6 is polar, whereas other compounds are nonpolar and centrosymmetric. They all consist of zero-dimensional [Pt(IO3)6]2– molecular units separated by H3O+ or A+ cations. All of the lone electron pairs of the IO3– groups are aligned and almost point to one direction for α-(H3O)2Pt(IO3)6, whereas IO3– groups are located trans to each other in other compounds. The material, α-(H3O)2Pt(IO3)6, exhibits very strong second harmonic generation (SHG) effects, approximately 1.2 × KTiOPO4 (KTP), and is phase-matchable. Thermogravimetric analysis, elemental analysis, infrared spectra, UV–vis spectra, nonlinear optical properties, and theoretical calculations are also reported.
研究领域:
材料科学
·
化学
·
光学
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