FLUID PHASE EQUILIBRIA
·
2013
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IF 2.379
Chun-Mei Qi,Li-Sheng Wang,Jun-Chao Du,Guo-Min Yu,Gui-Qin Sun
1,2-Bis (2-oxo-5,5-dimethyl-1,3,2-dioxyphosphacyclohexyl-2-imino) ethane (BPEA) was prepared, and characterized by elemental analysis (EA), mass spectra (MS), infrared spectroscopy (IR) and nuclear magnetic resonance (NMR). The melting point and the enthalpy of fusion of BPEA were performed on differential scanning calorimetry (DSC), and the thermal stability of BPEA was tested by thermogravimetric analysis (TGA). The solubility of BPEA in selected solvents was measured by a static analytical method. The experimental data were correlated with different thermodynamic models, such as the empirical equation and non-random two liquid (NRTL), Wilson, Scatchard–Hildebrand, and universal quasi chemical (UNIQUAC) equations. The calculated results showed good agreement with the experimental data in the temperature range studied.
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CHINESE JOURNAL OF CHEMISTRY
·
2017
·Vol. 35
·期 7
·1086-1090
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IF 1.852
Youjun Guan,Qi Shi,Jinxiang Dong
1D compound [Zn(Im)(HIm) 2 (OAc)] was used as a single precursor of metal and imidazole to prepare several 3-dimensional (3D) Zn(Im) 2 frameworks by solution-mediated transformation. Specifically, three known topologies, zni, coi and crb (BCT) were obtained using a solution-mediated transformation with CH 3 OH, DMF and DMA as solvent, respectively. Structural studies by 13 C MAS NMR spectroscopy and TG imply that in the transformation process from 1D compound to coi-[Zn(Im) 2 ]•(DMF) x and crb-[Zn(Im) 2 ]•(DMA) x (ZIF-1), DMF and DMA solvent molecules acted as structure-directing agent and, therefore, were occluded inside the framework, respectively. In contrast, in the formation of zni-[Zn(Im) 2 ], no solvent molecules were present in the frameworks; therefore the transformation from 1D compound to zni was induced by temperature. Thus, solution-mediated transformation of a single precursor (1D compound) approach was established for the synthesis of ZIFs.
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2016
·
IF 2.857
Zhe Hou,Li-Fei Zhu,Xin-chi Yu,Ma-Qiang Sun,Fang Miao,Le Zhou
Twenty-two 2-aryl-9-methyl-3,4-dihydro-β-carbolin-2-ium bromides along with four 9-demethylated derivatives were synthesized and characterized by spectroscopic analysis. By using the mycelium growth rate method, the compounds were evaluated for antifungal activities in vitro against six plant pathogenic fungi, and structure–activity relationships (SAR) were derived. Almost all of the compounds showed obvious inhibition activity on each of the fungi at 150 μM. For all of the fungi, 10 of the compounds showed average inhibition rates of >80% at 150 μM, and most of their EC50 values were in the range of 2.0–30.0 μM. SAR analysis showed that the substitution pattern of the N-aryl ring significantly influences the activity; N9-alkylation improves the activity, whereas aromatization of ring-C reduces the activity. It was concluded that the present research provided a series of new 2-aryl-9-alkyl-3,4-dihydro-β-carbolin-2-iums with excellent antifungal potency and structure optimization design for the development of new carboline antifungal agents.
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RSC Advances
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2016
·Vol. 6
·期 68
·63597-63606
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IF 3.289
Shasha Zhao,Xiaoshan Fan,Xiaoyan Li,Xianglin Lv,Weiwei Zhang,Zhiguo Hu
Y-Shaped amphiphilic copolymers (zwitterionic-(PLLA2.5K)2 and MPEG-(PDLA2.5K)2) were simply synthesized through click reaction of alkyne-(PLA2.5K)2 and zwittterionic-N3 or MPEG-N3. Gel permeation chromatography (GPC) and 1H nuclear magnetic resonance (1H NMR) were employed to characterize the composition and structure of these copolymers. The stereocomplexes were prepared from pairs zwitterionic-(PLLA2.5K)2/MPEG-(PDLA2.5K)2 (molar ratio = 1 : 1), and confirmed by differential scanning calorimeter (DSC). Furthermore the aggregation behaviors for these synthesized polymers and their stereocomplexes had been proved by fluorescence spectroscopy (PL), transmission electron microscopy (TEM), dynamic light scattering (DLS) and static light scattering (SLS), and zeta potential. Their critical micelle concentration (CMC) obtained by PL was 0.0213 mg mL−1 for zwitterionic-(PLLA2.5K)2/MPEG1.9K-(PDLA2.5K)2 and 0.1265 mg mL−1 for zwitterionic-(PLLA2.5K)2/MPEG5K-(PDLA2.5K)2. The stereocomplexes could self-assemble into spherical micelles with diameters of 76 nm (zwitterionic-(PLLA2.5K)2/MPEG1.9K-(PDLA2.5K)2) and 89 nm (zwitterionic-(PLLA2.5K)2/MPEG5K-(PDLA2.5K)2) respectively. The biocompatibility of these copolymers and their stereocomplexes was evaluated with relatively low cytotoxicity. The DOX-loaded micelles of the stereocomplexes had a higher drug loading content and encapsulation efficiency, and could release DOX in a controlled manner. Therefore, the new stereocomplex zwitterionic-(PLLA)2/MPEG-(PDLA)2 has great potential as a hydrophobic drug nanocarrier.
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JOURNAL OF SOLID STATE CHEMISTRY
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2017
·
IF 2.299
Tong-Ying Chang,Chun-Li Hu,Dong Yan,Jiang-Gao Mao
Two new phosphates, non-centrosymmetric (NCS) (H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and centrosymmetric (CS) Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 have been prepared by hydrothermal reactions . The single-crystal X-ray structural analyses have shown that they crystallized in space group P −42 1 c and P2 1 /c , respectively·(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 features a three-dimensional (3D) network structure composed of ZnO 4 and PO 4 tetrahedra that are interconnected via corner-sharing, forming 1D channels of 6-MRs and 8-MRs which are filled by Ca 2+ and H 3 O + cations, respectively. Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 features a layered [Cd 3 (PO 4 ) 2 (HPO 4 ) 2 ] 4- composed of 1D chain of edge-sharing CdO 6 octahedra that are further bridged by PO 4 tetrahedra with Ba 2+ cations filling the interlayer spaces. Luminescent studies suggest that (H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 emits blue light. Optical diffuse reflectance spectra show the experimental band gaps for (H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 are 5.67 eV and 5.68 eV, respectively. The UV cut-off edge of title compounds are around at 218 nm·(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 exhibits a very weak SHG response.
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FUEL
·
2024
·
IF 6.7
Cheng Dong,Zhiwen Wang,Yanbin Chen,Yan Li,Zhenxin Yi,Chenguang Zhu,Lin Zhang,Shunguan Zhu
Introducing energetic metal complexes into solid propellants is an effective strategy for enhancing their energy release and improving the agglomeration of their catalysts. In this study, the metal complex [Ni(N 2 H 4 ) 2 ](N 3 ) 2 (NHA) was incorporated into hydroxyl terminated polybutadiene-based composite solid propellants, and its optimal catalytic ratio and catalytic mechanism for ammonium perchlorate (AP) were investigated through performance characterization. The optimal catalyst content was determined to be 1 %, whereby the exothermic peak temperature advanced by 26 ℃ compared to the blank control group, as examined by differential scanning calorimetry. The heat of explosion was 5744.98 J·g −1 . An increase in the burning rate while ensuring a pressure exponent below 0.5 (specifically, 0.399) was achieved simultaneously. The characterization of the flame structure demonstrated that the catalytic effect of NHA was concentrated in the condensed phase reaction zone of the propellant, which decreased in the Al agglomeration from 111.41 μm to 59.42 μm. Its catalytic effect is attributed to the rapid release of NiO particles during the decomposition of NHA, which formed a microchemical reaction zone on the AP surface, resulting in its increased porosity. The porous AP structure exposed more catalytically active sites, synergistically enhancing the catalytic efficacy.
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2018
·
IF 2.441
Yilin Sun,Le Zhen,Ying Peng,Jiankun Wang,Fei Fei,Lixiang Aa,Wenjiao Jiang,Xue Pei,Li Lu,Jie Liu,Guangji Wang,Kun Hao
To improve bioavailability and provide resistance to deamination , an array of gemcitabine (dFdC) prodrugs carrying the acyl modifications has been successful in the optimization of pharmacokinetic properties of dFdC, but the reports about 4- N -carbobenzoxy-dFdC (Cbz-dFdC), a dFdC prodrug bearing alkyloxycarbonyl modification, are relatively rare. Notably, in vivo enzymatic hydrolysis was an absolutely essential factor for the activation of these prodrugs, which is correlated with the anti-tumor activity. Therefore, detailed metabolism studies of Cbz-dFdC should be carried out for a more authentic pharmacodynamic evaluation. In order to detect the pharmacokinetic characteristics of Cbz-dFdC, a selective, sensitive and accurate method for the simultaneous determination of Cbz-dFdC, along with dFdC and its major metabolite dFdU in rat plasma was developed and validated using UFLC–MS/MS techniques. Column was at 40 °C for separation using an eluent with acetonitrile and 0.1% formic acid , 1 mM ammonium formate at a flow rate of 0.2 mL/min. Detection was performed using ESI source in positive ion selected reaction monitoring mode by monitoring the following ion transitions m / z 398.1 → 202.2 (Cbz-dFdC), m / z 264.1 → 112.0 (dFdC), m / z 265.3 → 113.2 (dFdU) and m / z 246.1 → 112.0 (IS). Analytes were extracted by simple precipitation with acetonitrile containing internal standards followed by liquid-liquid extraction with ethyl acetate . The calibration curves of Cbz-dFdC, dFdC and dFdU were linear in the concentration range of 2 to 500 ng/mL, 2 to 500 ng/mL and 40 to 10,000 ng/mL, respectively. The assay ranges selected for the three analytes were appropriate and minimized the need for reanalysis. All the validation data, such as intra- and inter-day precision, accuracy, selectivity and stability, were within the required limits. In conclusion, the sensitive analytical assay was selective and accurate for the determination of rat plasma concentrations of Cbz-dFdC, dFdC and dFdU from a single LC–MS/MS analysis and well-suited to support pharmacokinetic studies.
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Food Bioscience
·
2024
·
IF 4.8
Yaozhu Fan,Xuefeng Wang,Yiyan Li,Lingfei Li,Yang Tian
The hypoglycemic peptide MoHpP-2 from Moringa oleifera seeds exhibits excellent α-glucosidase inhibitory activity, but its amelioration in insulin resistant (IR) cells and type 2 diabetes mellitus (T2DM) mice is still unclear. Therefore, the present study aimed to investigate the hypoglycemic effect of MoHpP-2 on C2C12/IR cells, and gut microbiota and metabolite changes of T2DM mice using 16S rRNA high-throughput sequencing and metabolomics. MoHpP-2 within the concentration range could effectively enhance the glucose consumption levels and antioxidant capacity in C2C12/IR cells. MoHpP-2 intervention improves the blood sugar levels, liver function, and organ indices, reverses oxidative damage, and enhances the antioxidant capacity of T2DM mice. Furthermore, it increases the diversity of cecum microorganisms, decreases the ratio of Firmicutes to Bacteroides and some pathogenic bacteria , and reshapes the gut microbial composition of T2DM mice. Moreover, the metabolomic analysis results showed that MoHpP-2 intervention might promote unsaturated fatty acid biosynthesis, inhibit bile acid formation, and regulate linoleic acid metabolism and amino acid metabolism related to oxidative stress, thereby improving insulin resistance and sensitivity in T2DM mice. Overall, the experimental results provide insights into the hypoglycemic effect of MoHpP-2 in vitro and in vivo and its application in hypoglycemic functional food products.
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APPLIED SURFACE SCIENCE
·
2024
·
IF 6.3
Pan Xiao,Jingjing Xiao,Zhihong Xiao,Rukuan Liu,Zhiyong Zhang,Chuansheng Chen,Changzhu Li
Herein, a novel surfactant dihexyl (2-amino-2-(hydroxyimino)ethyl) phosphonate (DHAHEP) was synthesized by combining phosphonate and amidoxime groups in the same molecule, and used as a flotation collector for quartz vein-type wolframite. The Micro-flotation results showed that DHAHEP has excellent collection performance for wolframite, at pH 2 ∼ 4.5, the flotation recovery of DHAHEP for wolframite was over 90 %, while that for quartz was less than 60 %. The wolframite-quartz artificial mixed ores experiments demonstrated that at pH ∼ 4 and DHAHEP concentration of 8 × 10 -5 mol·L -1 , the flotation recovery of wolframite was 64.5 % and the grade was 48.9 %. Zeta potential and contact angle experiments elucidated that DHAHEP anchored on the wolframite surface mainly in the form of cations, increasing the hydrophobicity of the surface and thus separating the wolframite from quartz by flotation. FTIR, XPS, and DFT calculation further revealed that DHAHEP had an obvious flotation separation effect on quartz vein-type wolframite, it was mainly electrostatically adsorbed on the WO 4 2- sites of the wolframite surface in the form of cations, and also captured wolframite by forming chemical bonds with the Fe active sites through the phosphoryl and amidoxime groups in its molecular structure.
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POLYHEDRON
·
2024
·
IF 2.4
Zhengwei Wu,Jiawen Bao,Hongyang Zhang,Yingying Luo,Zhonglu You
Molecular nanoclusters comprising heterometallic Ni-Zn cores are an interesting class of compounds. In this paper, five novel Ni II -Zn II complexes [Ni 2 Zn 2 ClL 3 (HL) 3 ]·0·.25H 2 O ( 1 ), [Ni 2 Zn 2 BrL 3 (HL) 3 ]·0·.25H 2 O ( 2 ), [Ni 2 Zn 2 Br 2 L 2 (N 3 ) 2 (MeOH) 2 ]·2MeOH ( 3 ), [Ni 2 Zn 2 I 2 L 2 (N 3 ) 2 (MeOH) 2 ]·2MeOH ( 4 ), and [Ni 2 Zn 2 I 2 L 2 (N 3 ) 2 (DMF) 2 ] ( 5 ), were prepared from the Schiff base 2-(3-ethoxy-2-hydroxybenzylideneamino)-4-methylphenol (H 2 L). The complexes have been characterized by elemental analysis, IR, UV–Vis spectra. Molecular structures of the complexes have been determined by single crystal X-ray determination. In complexes 1 and 2 , three of the Schiff bases coordinate to the metal atoms via ether oxygen, imino nitrogen and two phenolate oxygen atoms, while the fourth one coordinates through ether oxygen, imino nitrogen and one phenolate oxygen atoms. In complexes 3 , 4 and 5 , all the donor atoms in the Schiff base ligands participate in coordination. The Ni and Zn atoms in the complexes are in octahedral and trigonal bipyramidal coordination, respectively. The anions of the metal salts and the azide anion, as well as methanol and DMF molecules furnish the coordination sphere. The compounds were evaluated for their antibacterial activities on Bacillus subtilis , Staphylococcus aureus , Escherichia coli and Pseudomonas fluorescens , and antifungal activities on Candida albicans and Aspergillus niger . Interestingly, the complexes have effective activities against Bacillus subtilis and Staphylococcus aureus .
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CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Xiaochen Qi,Fuli Li,Chih-Huang Weng,Kai Liu,Renchuan Fu,Na Liu,Longzhen Ding
2-(2-Hydroxy-5-methylphenyl) benzotriazole (UV-P), a high-production and structurally complex benzotriazole derivative, has an uncertain degradation pathway and transformation dynamics in aquatic environments, raising concerns about its potential toxicological risks to human health and the ecological systems. This study investigated the oxidative degradation of UV-P by ferrate(VI) in aqueous solution under controlled experimental conditions. The results demonstrated that ferrate(VI) efficiently degraded UV-P under alkaline conditions, achieving a maximum removal efficiency of 91.76 % at pH 8.0. Furthermore, the influence of various environmental factors, including pH, oxidant dosages, inorganic ions (HCO 3 − , Cl − , Br − , NO 3 − , Ca 2+ , K + , Mg 2+ , and NH 4 + ), and humic acid, on the ferrate(VI)-mediated oxidative degradation of UV-P were systematically examined. The results indicated that although inorganic ions and humic acid partially inhibited the degradation process, a satisfactory degradation efficiency was still attained. The intermediate identification results indicated that the ferrate(VI)-mediated oxidative degradation of UV-P primarily proceeded via bond cleavage, oxygen atom transfer, and radical coupling reactions, resulting in the formation of cleavage products, hydroxylated derivatives, and polymeric compounds. The oxidative degradation pathway of UV-P and key reactive sites targeted in the ferrate(VI) degradation system were examined through quantum chemical methods, including analyses of atomic charge distribution and frontier electron density. The toxicity assessment highlighted the need to focus on the chronic toxicity of specific aminated degradation products. This study is essential for elucidating the degradation mechanism of the benzotriazole compound UV-P in aquatic environments and comprehensively assessing its potential biotoxicity.
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BIOTECHNOLOGY AND BIOENGINEERING
·
2025
·
IF 3.6
Wenzhe Ma,Wanqing Wei,Jian Wen,Cong Gao,Guipeng Hu,Xiaomin Li,Jia Liu,Jing Wu,Wei Song
The synthesis of tertiary amides is crucial in pharmaceutical manufacturing, but achieving this efficiently through enzymatic methods remains challenging. Here, we describe the screening, evolution, and application of a lactamase for the synthesis of 2-(2-oxopyrrolidin-1-yl)-butanoic acid (2-OYBA) in aqueous phase. Through database mining, we identified a lactamase from Paraburkholderia xenovorans ( Px AmpC) with the highest amide synthesis activity in this study at 31.3 U/g. Using protein crystallization, molecular dynamics simulations, and quantum mechanics calculations, we proposed and verified three potential synthesis mechanisms for 2-OYBA. We identified a mechanism for synthesis of 2-OYBA involving adenylation and lactamization, with the carboxyl group in the intermediate 2-2 (INT2-2) acting as a proton shuttle. Guided by this mechanism, rational design efforts enhanced amide synthesis activity by 16.6-fold. The Px AmpC mutants also exhibited a broader substrate scope for amide bond synthesis compared to the wild type. Our findings advance the green synthesis of complex amide compounds.
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