CRYSTAL GROWTH & DESIGN
·
2019
·
IF 4.153
Jian Tang,Xianghe Meng,Fei Liang,Kaijin Kang,Tixian Zeng,Mingjun Xia,Wenlong Yin,Zheshuai Lin,Bin Kang
Four novel cyanates BaCNOX (X = Cl, Br, I, and CNO) containing linear π-conjugated anions were obtained by solid-state metathesis reactions for the first time. BaCNOCl crystallizes in a monoclinic space group P21/m with a = 5.5757(15) Å, b = 4.4925(10) Å, c = 7.850(2) Å, β = 102.38(3)°, Z = 2, whereas the remaining three compounds belong to the same orthorhombic space group Pnma with a = 8.227–8.713 Å, b = 4.290–4.552 Å, c = 10.986–11.803 Å, Z = 4. The crystal structures of these four compounds are divergent, exhibiting rich structural diversity ranging from simple to complex when X changes from Cl to Br and I, and then to CNO. Their thermal, vibrational, and optical properties were characterized in detail. Besides, the first-principles calculations reveal that all four compounds show giant optical anisotropy of Δn > 0.20 at 800 nm owing to the superior arrangement of linear (CNO)− π-conjugated groups. Successful synthesis of these cyanates not only further explains the influence of microscopic ions on the structures, but also enriches the structure chemistry of cyanates and provides enlightenment for the study of birefringence in CNO-based compounds.
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Research
·
2022
·
IF 11.036
Jiayu Di,Haojin Li,Li Chen,Siyu Zhang,Yinhui Hu,Kai Sun,Bo Peng,Jie Su,Xue Zhao,Yuqi Fan,Zhenhua Lin,Yue Hao,Peng Gao,Kui Zhao,Jingjing Chang
Exploring halogen engineering is of great significance for reducing the density of defect states in crystals of organic-inorganic hybrid perovskites and hence improving the crystal quality. Herein, high-quality single crystals of PEA2PbX4 (X = Cl, Br, I) and their para-F (p-F) substitution analogs are prepared using the facile solution method to study the effects of both p-F substitution and halogen anion engineering. After p-F substitution, the triclinic PEA2PbX4 (X = Cl, Br) and cubic PEA2PbX4 (X = I) crystals unifies to monoclinic crystal structure for p-F-PEA2PbX4 (X = Cl, Br, I) crystals. The p-F substitution and halogen engineering, together with crystal structure variation, enable the tunability of optoelectrical properties. Experimentally, after the p-F substitution, the energy levels are lowered with increased Fermi levels, and the bandgaps of p-F-PEA2PbX4 (X = Cl, Br, I) are slightly reduced. Benefitting from the enhancement of the charge transfer and the reduced trap density by p-F substitution and halogen anion engineering, the average carrier lifetime of the p-F-PEA2PbX4 is obviously reduced. Compared with PEA2PbI4, the X-ray detector based on p-F-PEA2PbI4 perovskite single-crystal has a higher sensitivity of 119.79 μC Gyair-1·cm-2. Moreover, the X-ray detector based on p-F-PEA2PbI4 single crystals exhibits higher radiation stability under high-dose X-ray irradiation, implying long-term operando stability.
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LANGMUIR
·
2025
·
IF 3.9
Meiting Li,Bingxin Yuan,Chi Zhang,Jia Li,Xuejiao Wang
Hierarchical BiOCl/BiOI and BiO(Cl,I) photocatalysts were obtained via a solution-phase reaction for visible-light-driven elimination of aqueous pollutants, where the phase/morphology evolution, relationship between energy band/microstructure structure and photocatalytic properties, and photoreaction mechanism can be deciphered in detail. It was well-documented that the R = 8:1 BiOCl/BiOI heterojunctions with a coherent interface of Bi and O atoms showed a relatively strong redox capacity owing to their rapid Z-scheme charge transfer and large interfacial contact and eventually degraded ∼92.52% and 96.57% of rhodamine B (RhB) and tetracycline (TC) molecules under 10 min of visible light irradiation, which was larger than those of bare BiOCl and BiOI. However, their poor photocatalytic stability was proved to be unfavorable to practical applications. The best BiOCl0.88I0.12 solid solutions separately elucidated the optimal RhB and TC removal efficiency of ∼99.97% and 97.54% after 10 and 6 min of illumination, and it still maintained a high photodegradation efficiency toward RhB after five consecutive runs. The exceptional photocatalytic performance is cogoverned by the characteristics of in situ generated oxygen vacancies and defect energy levels.
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JOURNAL OF HAZARDOUS MATERIALS
·
2026
·
IF 10.6
Lan Shi,Tianrui Gao,Zhipeng Zhu,Fan Yang,Bing Han,Jia Lv,Lin Tao,Yang Gao,Rong Hua,Huan Wu,Yichao Huang,Xiaojin He
Our recent large-scale population study demonstrated that several per- and polyfluoroalkyl substances (PFAS) are potential risk factors for sperm quality—with perfluorohexane sulfonate (PFHxS) and 6:2 chlorinated polyfluorinated ether sulfonate (6:2 Cl-PFESA) emerging as the strongest effect contributors to asthenospermia, yet their causal relationships remain unclear. Here, we provide in vivo experimental evidence and evaluation of the combined effects of 6:2 Cl-PFESA and PFHxS under human-relevant exposure. Male ICR mice were orally exposed to each compound alone or in combination for 35 days, covering one full spermatogenic cycle. Both single and combined exposures were associated with alterations of the male reproductive axis, including reduced serum testosterone and elevations in the gonadotropins luteinising hormone (LH) and follicle-stimulating hormone (FSH), and in sex hormone-binding globulin (SHBG). Testicular injury included disturbed seminiferous architecture, decreased sperm motility, and increased germ-cell apoptosis. Transcriptomics highlighted pathways related to cell adhesion, junctional integrity, and apoptosis, and Western blotting and TUNEL confirmed blood-testis barrier (BTB) protein disruption and increased germ-cell apoptosis. Toxic potency differed by endpoint, with endpoint-specific patterns across endocrine, BTB, and motility outcomes. Combined-effect analysis identified a positive non-additive interaction for LH, whereas most BTB-associated proteins showed no statistically significant interaction despite endpoint-specific deviations from the concentration-addition expectation. Collectively, these findings indicate that human-relevant co-exposure to 6:2 Cl-PFESA and PFHxS is associated with asthenospermia-related sperm and testicular alterations. The converging phenotypic, molecular, and functional findings support BTB impairment and germ-cell apoptosis as plausible contributing processes, yet the precise mechanisms still need further investigation.
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ACS Sustainable Chemistry & Engineering
·
2021
·
IF 8.198
Huiying Liu,Ruxangul Jamal,Tursun Abdiryim,Rena Simayi,Lielie Liu,Yajun Liu
In this paper, carboxylated cellulose (CLC) dissolved in [BMIM]Cl as a soft template combined with the functional group (−NH2, −SH)-grafted poly(3,4-ethylene dioxythiophene) (PEDOT) derivatives was synthesized by an in situ polymerization method. Structural analysis revealed that CLC increased the degree of conjugation of the polymers in the composites and also led to the formation of the fibrous and sheet structure of the composite. The results of the electrochemical performance measurements revealed that the electrode modified by PEDOT-MeNH2/CLC and PEDOT-MeSH/CLC had detection limits (S/N = 3) of 0.38(0.1–380 μM) and 0.042(0.02–520 μM) for the detection of guanine (G), while for the detection of uric acid (UA), the corresponding detection limits (S/N = 3) were 0.255(5–400 μM) and 0.085(0.4–650 μM). The PEDOT-MeSH/CLC-based electrochemical sensor also possessed a wide linear response with the detection limits of 0.077(0.6–620 μM) and 0.144(0.2–460 μM) for the simultaneous detection of UA and G, respectively.
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RSC Advances
·
2018
·Vol. 8
·期 34
·18784-18791
·
IF 2.936
Yuyan Xiao,Xirong Huang
Via heating first and then cooling, binary ionic liquid (IL) mixture of N-methyl-2-pyrrolidonium methylsulfonate ([HNMP][CH3SO3]) and 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) could form a liquid at room temperature. The glass-transition temperature (Tg) characterized by DSC depends on its composition with Tg being as low as −63 °C. The physicochemical properties of the binary IL mixtures also vary with the composition. With the increase of the mole fraction of [Bmim]Cl, the hydrogen-bond accepting ability (β) of the binary IL mixture increases, but the hydrogen-bond donating ability (α) deceases. In this binary IL mixture, fructose could be effectively converted into 5-hydroxymethylfurfural (HMF) at room temperature. The HMF yields at a given time are found to be well correlated with the physicochemical properties of the binary mixture, especially the α and β values. Under specified conditions, the present IL mixture as medium for fructose dehydration into HMF is comparable to the medium formed by ILs and alcohol, where the alcohols have negative effect on the HMF formation.
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CHEMICAL ENGINEERING JOURNAL
·
2017
·
IF 6.216
Peng Hu,Xiaopeng Liang,Muhammad Yaseen,Xiaodan Sun,Zhangfa Tong,Zhongxing Zhao,Zhenxia Zhao
A novel mechano-chemical strategy using dopamine to modify UiO-66(Zr) by N-coordination was proposed to enhance its competitive adsorption for acetaldehyde, chlorobenzene/H 2 O, both thermodynamically and kinetically. The newly synthesized material was characterized by SEM, EDX, XPS, PXRD, FT-IR, TGA/DTG and BET techniques. Results showed that N was successfully grafted into UiO-66(Zr) frameworks through coordination interaction with Zr-O clusters resulting in M-UiO-66(Zr-N 3.0 ). The obtained M-UiO-66(Zr-N 3.0 ) exhibited a significant increase in adsorption of chlorobenzene (4.94 mmol/g) and acetaldehyde (9.42 mmol/g) compared to parent UiO-66(Zr) and UiO-66(Zr)-NH 2 . The H 2 O adsorption uptake of M-UiO-66(Zr-N 3.0 ) decreased by 20% that of UiO-66(Zr) and 47% of UiO-66(Zr)-NH 2 indicating higher hydrophobicity of the modified material. Kinetic performance indicated that diffusivity of chlorobenzene on M-UiO-66(Zr-N 3.0 ) was about 7.8 and 40 times higher than that of the parent UiO-66(Zr) and UiO-66(Zr)-NH 2 respectively and 15.4 times higher than that of H 2 O on itself. Based on the results, the current N-modification strategy can be deemed as an efficient way to improve MOFs competitive adsorption towards VOCs under humid conditions and it might play active role in industries involving adsorbent applications.
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BIOTECHNOLOGY AND BIOENGINEERING
·
2024
·
IF 3.5
Han-Yu Liu,Pan Ning,Feng Qian,Yao-Wu Wang,Hai-Min Zhang,Pu Wang
Flavin-dependent halogenase (FDH) is highly prized in pharmaceutical and chemical industries for its exceptional capacity to produce halogenated aromatic compounds with precise regioselectivity. This study has devised a multi-enzyme self-assembly strategy to construct an effective and reliable in vitro coenzyme cycling system tailored for FDHs. Initially, tri-enzyme self-assembling nanoclusters (TESNCs) were developed, comprising glucose dehydrogenase (GDH), flavin reductase (FR) and FDH. The TESNCs exhibited enhanced thermal stability and conversion efficiency compared to free triple enzyme mixtures during the conversion of L -Trp to 6-Cl- L -Trp, resulting in a 2.1-fold increase in yield. Subsequently, an ordered co-immobilization of GDH, FR, and FDH was established, further amplifying the stability and catalytic efficiency of the FDH coenzyme cycle system. Compared to the free TESNCs, the immobilized TESNCs demonstrated a 4.2-fold increase in catalytic efficiency in a 5 mL reaction system. This research provides an effective strategy for developing a robust and efficient coenzyme recycling system for FDHs.
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2024
·
IF 2.2
Yufeng Tang,Qichao Yang,Zhanping Qiao
The phase equilibrium of ternary systems RbX/CsX + CuX 2 + H 2 O (X = Cl, Br) at T = 298.15 K were investigated by the isothermal dissolution equilibrium method, in which the composition of equilibrium solid phases was determined by the Schreinemaker’s wet residue method. In the system RbCl + CuCl 2 + H 2 O, there were three crystallization regions corresponding to RbCl, Rb 2 CuCl 4 ·2H 2 O and CuCl 2 ·2H 2 O, respectively. Five crystallization fields corresponding to CsCl, CsCuCl 3 , Cs 3 Cu 2 Cl 7 ·2H 2 O, Cs 2 CuCl 4 and CuCl 2 ·2H 2 O were formed in the system CsCl + CuCl 2 + H 2 O. The ternary system RbBr + CuBr 2 + H 2 O had three crystalline regions corresponding to RbBr, Rb 2 CuBr 4 ·2H 2 O and CuBr 2 . In the system CsBr + CuBr 2 + H 2 O, the solid-phases of CsCuBr 3 , Cs 2 CuBr 4 , besides CsBr and CuBr 2 , were discovered. The results were compared with available literature data for cesium bromide/copper bromide salt-water system. The seven new solid phase were characterized using the X-ray diffraction method and thermogravimetric/differential analysis. The dissolution enthalpies of Rb 2 CuCl 4 ·2H 2 O, Rb 2 CuBr 4 ·2H 2 O, CsCuCl 3 , Cs 3 Cu 2 Cl 7 ·2H 2 O, Cs 2 CuCl 4 , CsCuBr 3 and Cs 2 CuBr 4 at T = 298.15 K were measured. Their standard enthalpies of formation were obtained, and the results were in order with −(1714.4 ± 3.2) kJ·mol −1 , −(1533.6 ± 3.3) kJ·mol −1 , −(697.8 ± 3.1) kJ·mol −1 , −(2418.9 ± 6.1) kJ·mol −1 , −(1134.8 ± 3.2) kJ·mol −1 , −(563.5 ± 3.2) kJ·mol −1 and −(966.2 ± 3.3) kJ·mol −1 , respectively.
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Advanced Science
·
2023
·Vol. 10
·期 13
·2207630
·
IF 15.1
Wen-Fa Chen,Bin-Wen Liu,Shao-Min Pei,Xiao-Ming Jiang,Guo-Cong Guo
In contrast to anionic group theory of nonlinear optical (NLO) materials that second-harmonic generation (SHG) responses mainly originate from anionic groups, structural regulation on the cationic groups of salt-inclusion chalcogenides (SICs) is performed to make them also contribute to the NLO effects. Herein, the stereochemically active lone–electron-pair Pb 2+ cation is first introduced to the cationic groups of NLO SICs, and the resultant [K 2 PbX][Ga 7 S 12 ] (X = Cl, Br, I) are isolated via solid-state method. The features of their three-dimensional structures comprise highly oriented [Ga 7 S 12 ] 3− and [K 2 PbX] 3+ frameworks derived from AgGaS 2 , which display the largest phase-matching SHG intensities (2.5−2.7 × AgGaS 2 @1800 nm) among all SICs. Concurrently, three compounds manifest band gap values of 2.54, 2.49, and 2.41 eV (exceeding the criterion of 2.33 eV), which can avoid two-photon absorption under the fundamental laser of 1064 nm, along with the relatively low anisotropy of thermal expansion coefficients, leading to improved laser-induced damage thresholds (LIDTs) values of 2.3, 3.8, and 4.0 times that of AgGaS 2 . In addition, the density of states and SHG coefficient calculations demonstrate that the Pb 2+ cations narrow the band gaps and benefit SHG responses.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2024
·
IF 9.4
Geying Liu,Chaoyue Xie,Yan Zhang,Ye Du,Jie Wang,Jia Lin,Jing Bai,Jinhua Li,Changhui Zhou,Tingsheng Zhou,Baoxue Zhou
Urea electrolysis is an appealing topic for hydrogen production due to its ability to extract hydrogen at a lower potential. However, it is plagued by sluggish kinetics and noble-metal catalyst requirements. Herein, we developed nickel-iron-layered double hydroxide (NiFe-LDH) nanolayers with abundant oxygen vacancies (O V ) via synergistically etching nickel foam with Fe 3+ and Cl - ions, enabling the efficient conversion of urea into H 2 and N 2 . The synthesized O V -NiFe-LDH exhibits a lower potential (1.30 vs. reversible hydrogen electrode, RHE) for achieving 10 mA cm −2 in the urea oxidation reaction (UOR), surpassing most recently reported Ni-based electrodes. O V provides favorable conductivity and a large surface area , which results in a 4.1-fold in electron transport and a 5.1-fold increase in catalyst reactive sites. Density Functional Theory (DFT) calculations indicate that O V can lower the adsorption energy of urea, and enhance the bonding strength of *CONHNH, giving rise to improved UOR. This study provides a viable path toward economical and efficient production of high-purity hydrogen.
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ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
·
2020
·Vol. 646
·期 5
·288-295
·
IF 1.24
Yalan Li,Yuandong Wu,Dajiang Mei,Thomas Doert
Three new tin coordination compounds (4,4'-Hbipy) 2 [Sn 2 (C 2 O 4 ) 3 ] ( 1 ), (4,4'-H 2 bipy)[Sn(C 2 O 4 ) 2 ] ( 2 ), and SnCl 2 (4,4'-bipy) ( 3 ) were synthesized under hydro-(solvo-)thermal conditions and their crystal structures were determined by single-crystal X-ray diffraction. Compound 1 exhibits a ionic structure based on discrete [4,4'-Hbipy] + cations and [Sn 2 (C 2 O 4 ) 3 ] 2– anions. These two units are linked via N–H ··· O hydrogen bonds to form a pseudo-one-dimensional zigzag hydrogen-bonded chain. In compound 2 , four-coordinate Sn atoms form monomeric tin dioxalato complexes, which are connected to the doubly protonated [4,4'-H 2 bipy] 2+ cations through N–H ··· O hydrogen bonded to give a one-dimensional zigzag hydrogen-bonded chain. Compound 3 forms a three-dimensional hydrogen-bonded network, in which 1 ∞ [SnCl 2 (4,4'-bipy)] linear chains are interconnected to each other by C–H ··· Cl hydrogen bonding. The solid-state UV/Vis/NIR diffuse reflectance spectroscopy shows that three compounds are broadband semiconductors. The thermogravimetric analysis evidences the thermal stability of the three compounds up to 175, 201, and 246 °C, respectively.
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