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INORGANIC CHEMISTRY · 2017 · IF 4.857

Two Barium Gold Iodates: Syntheses, Structures, and Properties of Polar BaAu(IO3)5 and Nonpolar HBa4Au(IO3)12 Materials

Bing-Ping Yang,Chun-Li Hu,Fei-Fei Mao,Xiang Xu,Jiang-Gao Mao

Two new barium gold iodates, namely, BaAu(IO3)5 and HBa4Au(IO3)12, have been prepared. BaAu(IO3)5 crystallizes in the polar space group Pca21, whereas HBa4Au(IO3)12 crystallizes in the centrosymmetric space group P21/c. BaAu(IO3)5 consists of unique polar [Au(IO3)4]− anions whose four iodate groups are located at both sides of the AuO4 plane and the polarity points in the [001̅] direction. BaAu(IO3)5 displays strong second-harmonic-generation (SHG) effects about 0.6KTiOPO4 (KTP) and is phase-matchable. Thermal properties, optical spectra analyses, and theoretical calculations are also reported.

研究领域: 材料科学 · 化学 · 物理学
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RSC Advances · 2014 ·Vol. 4 ·期 105 ·60451-60459 · IF 3.708

Facile assembly of 1D multinuclear Agn (n = 11, 11, 12) alkynyl chains with CF3COO−/CH3COO− as the auxiliary ligand

Kun Zhou,Chao Qin,Li-Kai Yan,Fang-Ming Wang,Zhong-Min Su

Three 1D multinuclear silver(I) alkynyl compounds, [Ag11(CCtBu)6(CF3COO)5(CH3OH)]n (1), [Ag11(CCtBu)7(CH3COO)4]n (2) and [Ag12(CCtBu)7(CF3COO)5·H2O]n (3), constructed from AgCCtBu ligand and CF3COO−/CH3COO− auxiliary ligand, have been obtained by changing the type and source of the auxiliary ligand as well as adjusting the pH value in different solvents. The synthesis of 1–3 indicates that this kind of 1D multinuclear Agn (n = 11, 11, 12) alkynyl chain can be isolated through a facile one-pot process. Among these, an infinitely extended 2D supramolecular network is fabricated from 1D chains of 1 via hydrogen bonds, while 3 crystallizes in the chiral space group P21. In addition, the solid state optical diffuse reflection spectra and luminescence spectra of 1–3 have been obtained. Compound 2 is taken as an example to study the electrochemical behaviour of this kind of compound, and the results indicate that 2-CPE possesses good electrocatalytic activity toward the reduction of nitrite.

研究领域: 无机化学 · 配位化学 · 材料化学 · 超分子化学 · 电化学
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PHYSICAL REVIEW B · 2025 ·Vol. 111 ·期 13 ·134401 · IF 3.7

Chemical pressure effect on the magnetic properties of the ?=12 structural screw chain antiferromagnets ?⁢Co2⁢(Te3⁢O8)⁢(SO4) (?=Hg,Cd)

M. Y. Cui,Z. Y. Zhao,Z. Y. Wu,J. F. Wang,Z. Z. He

Chemical substitution is an effective route to manipulate the magnetic exchange couplings and modify the magnetic properties. However, replacement between ${\mathrm{Cd}}^{2+}$ and ${\mathrm{Hg}}^{2+}$ cations, both belonging to IIB group in the periodic table but having quite close ionic radii, is rarely studied. In this work, the chemical-pressure effect in $A{\mathrm{Co}}_{2}({\mathrm{Te}}_{3}{\mathrm{O}}_{8})({\mathrm{SO}}_{4})\phantom{\rule{4pt}{0ex}}(A=\mathrm{Hg},\mathrm{Cd})$ is reported, which is an $S=1/2$ structural screw-chain antiferromagnetic series with two unique Co positions. Magnetic susceptibility, specific heat, and high-field magnetization measurements on both polycrystal samples suggest that Hg compound experiences two successive antiferromagnetic transitions at ${T}_{\mathrm{N}1}=25.5\phantom{\rule{4pt}{0ex}}\mathrm{K}$ and ${T}_{\mathrm{N}2}=21.5\phantom{\rule{4pt}{0ex}}\mathrm{K}$ in zero field, and multiple field-induced transitions at ${B}_{1}=10.5\phantom{\rule{4pt}{0ex}}\mathrm{T}, {B}_{2}=13\phantom{\rule{4pt}{0ex}}\mathrm{T}$, and ${B}_{3}=19.5\phantom{\rule{4pt}{0ex}}\mathrm{T}$ at 1.6 K. By contrast, a single magnetic transition takes place at ${T}_{\mathrm{N}}=20$ K and ${B}_{\mathrm{c}}=10.7\phantom{\rule{4pt}{0ex}}\mathrm{T}$ in Cd compound. Different twists of ${\mathrm{CoO}}_{6}$ octahedra are discussed to be responsible for the distinct magnetic behaviors. To further understand the influence of the chemical pressure, additional anisotropic characterizations are performed on Hg single crystal and subsequently the magnetic field $\mathrm{versus}$ temperature phase diagrams are established. Large magnetic anisotropy is observed with the moments lying within the $bc$ plane. Besides, a possible field-induced order-disorder transition is uncovered under the application of a magnetic field along the $b$ axis. The opposite features of the anisotropic magnetic susceptibility in Hg compound might demonstrate separate antiferromagnetic orders of the two Co sublattices, the discrepancy of which is reduced due to the weakened twist of ${\mathrm{CoO}}_{6}$ octahedra in Cd compound, leading to a simultaneous occurrence of these transitions instead.

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INTERNATIONAL IMMUNOPHARMACOLOGY · 2026 · IF 5.6

A novel peptide-MHC-based T cell engager synergizes with tumor-targeted IL-12 for immunotherapy of solid tumors

Shihui Wang,Qing Xu,Xueqian Peng,Xinman Li,Tianqing Zheng

Conventional CD3-targeting bispecific T cell engagers (BiTEs) have shown limited efficacy in solid tumors, largely due to the highly immunosuppressive tumor microenvironment (TME) and systemic T cell activation-associated toxicity. To address this challenge, we developed a peptide–MHC class I-based T cell engager platform that selectively redirects a specific subset of CD8 + T cells to tumor cells. Using the model ovalbumin (OVA) system, we engineered fusion proteins comprising an OVA peptide–H-2Kᵇ complex linked to an anti-HER2 nanobody (OVA-αHER2), enabling simultaneous engagement of OVA-specific T cells and HER2-expressing tumor cells and inducing potent tumor cell killing in vitro . To overcome the immunosuppressive TME, we further combined a HER2-targeted IL-12 fusion protein with OVA-αHER2, achieving synergistic anti-tumor responses in a mouse B16-HER2 solid tumor model. This treatment enhanced both systemic and intratumoral OVA-specific CD8 + T cell responses, accompanied by increased IFN-γ production in the TME. Together, these findings establish a modular immunotherapy strategy that integrates recruitment of a specific CD8 + T cell subset with localized cytokine-mediated immune reprogramming, providing a potential approach for HER2-positive solid tumors.

✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Solubility Measurements and Correlation of Quetiapine Fumarate in 12 Individual Solvents and Tetrahydrofuran–Water from 283.15 to 323.15 K

Wenfeng Huang,Yufeng Wei,Xiaocong Liu,Ruonan Li,Qiuxiang Yin,Lihong Jia

The equilibrium solubility of quetiapine fumarate was determined in twelve individual solvents and one binary solvent mixture by the gravimetric method at atmospheric pressure over a temperature range of 283.15–323.15 K. The results showed that the solubility increases with increasing temperature in all selected solvents. The solubility order is tetrahydrofuran–water (mole fraction of tetrahydrofuran 0.8083) > tetrahydrofuran > n-propanol > dichloromethane > butanone > methyl isobutyl ketone > xylenes > ethyl formate > tert-butyl methyl ether > isopropyl acetate > toluene > hexane ≈ heptane. The modified Apelblat model, λh model, nonrandom two-liquid model, and van’t Hoff–Jouyban–Acree model were employed to correlate the experimental solubility. The four models provided satisfactory fits, as confirmed by the average relative deviation and the root-mean-square deviation. The modified Apelblat model showed the best performance among them. The accurate solubility data are essential for the design and optimization of the crystallization process of QF.

研究领域: 药学 · 化学工程
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Materials · 2024 ·Vol. 17 ·期 22 ·5426 · IF 3.1

Improving the Mechanical Properties and Microstructure of 12 mol% Ceria-Stabilized Tetragonal Zirconia Polycrystal Ceramics with Low-Content Nd2O3

Zengqing Sun,Xiaoyu Li,Jinxin Xing,Min Gan,Zhiyun Ji,Yong Lyu

In this study, 12 mol% ceria-stabilized tetragonal zirconia polycrystal ceramics with xNd2O3(where x equals 0, 0.1, 0.2, 0.3, 0.4, 0.5, and 0.7) were synthesized via the solid-state method, and the effects of Nd2O3doping amounts on the mechanical properties and microstructure were studied. The results show that with an increase in the Nd2O3doping amount, the grain size of the ceramics was reduced from 2.93 μm to 0.69 μm. The hardness and strength of the ceramics increased significantly, while the fracture toughness decreased. The reduction in fracture toughness was attributed to the reduction in tetragonal grain size, which suppressed the tetragonal–monoclinic phase transformation caused by stress. Additionally, as the content of Nd2O3increased, the formation of cubic zirconia accelerated, but no second phase was observed. Most importantly, when the doping amount of Nd2O3reached 0.3 mol%, the comprehensive mechanical characteristics of the ceramics were optimal. This provides a research basis for the preparation of nanoscale 12 mol% ceria-stabilized tetragonal zirconia polycrystal ceramics.

研究领域: 材料科学 · 陶瓷工程
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Measurement and Correlation of Solubility and Thermodynamic Properties of Phenacetin in 12 Pure Solvents from 283.15 to 323.15 K

Li Wang,Danning Li,Lingyu Wang,Hongxun Hao,Lina Zhou

In this research, the gravimetric method was utilized to measure the solubility of phenacetin from 283.15 to 323.15 K under atmospheric pressure in 12 solvents, including methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, ethyl formate, ethyl acetate, n-propyl acetate, N,N-dimethylacetamide, N,N-dimethylformamide, and acetonitrile. The solubility curves present an increasing trend with increasing temperature, and the mixing thermodynamic properties are also investigated in detail. Moreover, three thermodynamic models were used to correlate the experimental solubility data, and the fitting effect looks satisfactory as the average relative density is below 5%. The modified Apelblat model has the highest agreement with the experimental data compared with other models (λh model and NRTL model).

研究领域: 物理化学 · 热力学 · 药学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Solubility Measurement and Data Correlation of Isatoic Anhydride in 12 Pure Solvents at Temperatures from 288.15 to 328.15 K

Ningning Tian,Changyou Yu,Shichao Du,Bo Lin,Ye Gao,Zhenguo Gao

The solid–liquid equilibrium solubility of isatoic anhydride in 12 pure solvents (methanol, ethanol, 1-propanol, isopropyl alcohol, methyl acetate, ethyl acetate, propyl acetate, isopropyl acetate, acetone, 2-butanone, acetonitrile, and 1,4-dioxane) at T = 288.15 to 328.15 K was measured by the gravimetric method under atmospheric pressure. Experimental results demonstrate that the mole fraction solubility of isatoic anhydride in these selected solvents increased with the increase of temperature, and the dissolution behavior is affected by multiple factors like polarity, H-bond interaction, cohesive energy density, etc. The modified Apelblat model, the van’t Hoff model, the nonrandom two-liquid model, and the λh model were used to correlate the experimental solubility data. The maximum values of the relative average deviation and root-mean-square deviation were no more than 4.23 × 10–2 and 5.31 × 10–4, respectively. Furthermore, the thermodynamic properties including the mixing Gibbs energy, mixing enthalpy, and mixing entropy were calculated, which indicates that the dissolution of isatoic anhydride was a spontaneous and entropy-favorable process.

研究领域: 化学工程 · 物理化学
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JOURNAL OF LUMINESCENCE · 2019 · IF 2.961

A new rare-earth phosphate compound Cs4PbTb2(PO3)12: Crystal structure and multicolor emitting properties introduced by Eu3+ doping

Ya-Li Xue,Dan Zhao,Li-Na Zhang,Xiao-Qi Cui,Xiao-Yang Han,Qing-Xia Yao

For the first time, rare-earth phosphate compound Cs 4 PbTb 2 (PO 3 ) 12 was prepared using molten salt method and structurally characterized by single-crystal X-ray diffraction (XRD). Its structure features a three-dimensional (3D) open framework constructed by P 4 O 12 cyclotetraphosphate groups and (Pb|Tb)O 8 polyhedra, with large holes filling with Cs + ions. The P 4 O 12 groups in this structure are isolated and each P 4 O 12 is surrounded by four (Pb|Tb)O 8 polyhedra by sharing terminal O atoms. Furthermore, the powder XRD , infrared (IR) spectrum, Ultraviolet–visible (UV–Vis) spectroscopy and photoluminescence (PL) properties for title compound were studied. Under near-UV excitation (378 nm), the emission colour turns from green through yellow to pure red by simply adjusting the Eu 3+ concentration due to the efficient Tb 3+ →Eu 3+ energy transfer mechanism.

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APPLIED ORGANOMETALLIC CHEMISTRY · 2019 ·Vol. 33 ·期 10 ·e5145 · IF 3.259

Synthesis of alcohol ester 12 in 1, 8-diazabicyclo [5.4.0] undec-7-ene (DBU)-based Self-separation catalytic system

Zhiguo Lv,Shuying Zhang,Zhenmei Guo,Xi Cheng,Jiaomei Wang,Chao Zhang

The synthesis of alcohol ester 12 is one of the valuable industrial processes, but it was impeded by poor separating property and recycling ability of the catalytic systems. Herein, four novel DBU-based basic ionic liquids (DBILs) of [BDBU]IM, [BDBU]OH, [ODBU]IM, [[ODBU]OH were synthesized successfully by introducing the alkyl chains of 1-bromobutane or 1-bromooctane to 1,8-diazabicyclo [5.4.0] undec-7-ene (DBU), and then, employing imidazole (IM − ) or hydroxide (OH − ) as counter ions. The above obtained four ionic liquids were applied in the synthesis of alcohol ester 12 in isobutyraldehyde (IBD)/aqueous media for the first time. Interestingly, after reaction, production of alcohol ester 12 can be self-separated from ionic liquids/water (ILs/W) catalytic system automatically. Furthermore, the self-separated ILs/W can be recycled and used in next catalytic reaction for at least 5 times without obvious loss of catalytic performance. In this work, the structure, purity, thermal stability and alkalinity of DBILs were characterized systematically. [BDBU]IM shows high alkalinity and thus enhances yield of 66.17%. From thermo gravimetric analyzer (TGA), [BDBU]IM also exhibits excellent thermal stability. So [BDBU]IM was chosen for the further studying. Furthermore, quantum chemistry is applied to calculate the interaction forces and electron energies of reactants by DFT, and the calculation results illustrate the feasibility of synthetic process of DBILs. The self-separation strategy of DBILS in this work may open up a new avenue for the clean synthesis of other industrial products.

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CRYSTENGCOMM · 2017 ·Vol. 19 ·期 44 ·6644-6650 · IF 3.474

Alkali earth MOx (x = 6, 7, 9, 12) polyhedra tuned cadmium selenites with different dimensions and diverse SeO32− coordinations

Ying-Jie Jia,Yi-Gang Chen,Xiao-Ni Yao,Xian-Ming Zhang

A series of alkali earth cadmium selenites including MgCd3(SeO3)4 (1), Ca0.7Cd2.3(SeO3)3 (2), SrCd(SeO3)2 (3) and BaCd(SeO3)2 (4) are synthesized by hydrothermal reaction and studied in detail by single crystal and powdered X-ray diffractions, thermal analyses, IR and UV spectral measurements and dipole moment calculation. 1 features a 3D anionic [Cd3(SeO3)4]2− framework constructed from isolated SeO3 trigonal pyramids and 2D [Cd3O12]n layers, in which the [Cd3O12]n layer is composed of edge-shared [Cd2O10]16− dimers and butterfly-like [Cd4O20]32− tetramers. 2 shows a smooth 2D [Cd2(SeO3)3]n layer composed of unique [Cd(SeO3)]n double chains. 3 exhibits a wavelike 2D [Cd(SeO3)2]n layer constructed from corner-shared CdO6 octahedra and isolated SeO3 trigonal pyramids. 4 displays a windmill-like 1D [Cd(SeO3)2]n chain built from zigzag [CdO4]n chain motifs and isolated SeO3 trigonal pyramids. The alkali earth oxide motifs demonstrate interesting and regular changes from isolated MgO6 octahedra, CaO7 polyhedra, and SrO9 tri-capped trigonal prisms based on a ribbon chain to BaO12 icosahedra based on a brucite-like layer, and meanwhile the SeO3 groups are observed from variable tetradentate to hexadentate coordination modes. These flexible motifs reveal that cadmium selenites are strongly affected by the size of the alkali earth cations, providing a feasible approach to modulating their space structure via selection of template cation.

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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Revealing the dissolution behavior of trans-p-methoxycinnamic acid in 12 organic solvents by parametric model and molecular simulation

Yuechao Cao,Xuxing Wan,Wei Li,Jian Liu,Rongliang Liu,Songgu Wu

trans-p -Methoxycinnamic acid ( t -PMCA) is a cinnamic acid derivative with various pharmacological effects such as anti-colon cancer, antifungal, hepatoprotective, hypoglycemic, etc. In this paper, the solubilities of t -PMCA in 12 organic solvents were determined in the range of 283.15 K-323.15 K using gravimetric method. The solubility of t -PMCA increased with the increasing of temperature. Meanwhile, the experimental solubility data were verified and correlated using four thermodynamic models (Apelblat equation, λ h equation, Van’t Hoff equation and NRTL equation), and the relative standard deviations (ARD%) were all less than 7%. The simulated data agree well with those experimental data. In addition, the Hansen solubility parameter model and solvent properties were used to explain the dissolution behavior of t -PMCA in 12 organic solvents. The results showed that the dissolution behavior of t -PMCA was not determined by a single factor, but was the result of the comprehensive effect of various solubility parameters. In order to reveal the dissolution behavior of t -PMCA, the single-crystal structure of t -PMCA was analyzed, and molecular simulations (including Hirshfeld surface analysis, surface electrostatic potential, and radial distribution function) were performed, which showed that H ⋯ ⋯ H and O ⋯ ⋯ H contacts play a dominant role in the crystal arrangement and that there are hydrogen bonding interactions between t -PMCA and solvent molecules. Finally, the thermodynamic properties ( Δ mix G, Δ mix H, and Δ mix S ) of t -PMCA during the mixing process were calculated using the NRTL equation, and the results indicated that it is an entropy-driven spontaneous process.

CAS / MDL: 71-36-3
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