JOURNAL OF COORDINATION CHEMISTRY
·
2019
·
IF 1.685
Yafang Ge,Guoting Li,Dongxia Fu,Lina Liu,Benlai Wu
Two metal–organic frameworks based on a multifunctional ligand 2-(5-bromo-pyridin-3-yl)-1H-imidazole-4,5-dicarboxylic acid (H3L), [Mn(HL)(C2H5OH)]n (1) and {[Zn(HL)(H2O)2]·H2O}n (2), have been hydro/solvothermally synthesized and characterized by IR, elemental analyses, X-ray powder and single-crystal diffractions, and thermogravimetric analyses. In 1, (HL)2– ligands adopt the μ
3-kN,O:kN′,O′:kN′′ coordination mode and use their imidazoledicarboxylates to bis-chelate MnII into left- and right-handed helixes which are further bridged into a mesolayer structure with (4·82) topology through the coordination of their pyridyl groups. In 2, (HL)2– ligands only use their imidazoledicarboxylates to bis-chelate ZnII into linear chains which are further linked into a 2D supramolecular framework through interchain hydrogen–bonding interactions. Interestingly, the structures of 1 and 2 are mainly dominated by the bis-N,O-chelation of the imidazoledicarboxylate in (HL)2–. As for the formation of the imidazoledicarboxylate-bridged helical chains in 1 or straight chains in 2, it largely depends on the cis- or trans-chelation of two imidazoledicarboxylates around the same metal center. Magnetostructural analysis of 1 discloses that the bis-N,O-chelating imidazoledicarboxylate of (HL)2– transmits antiferromagnetic interactions along the imidazoledicarboxylate-bridged helical chain with the spin-coupling constant of –0.71 cm–1. Additionally, 2 emits greatly enhanced blue fluorescence mainly originating from the intraligand charge transition.
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Polymers
·
2024
·Vol. 16
·期 23
·3254
·
IF 4.7
Jiaqi Wang,Zhaoyutian Chu,Sijia Zheng
Considering the demand for the construction of a sustainable future, it is essential to endow the conventional thermoset silicone adhesive with reuse capability and recyclability. Although various research attempts have been made by incorporating reversible linkages, developing sustainable silicone adhesives by natural linkers is still challenging, as the interface between the natural linker and the silicone is historically difficult. We exploited the possibility of utilizingα-lipoic acid, a natural linker, to construct a sustainable silicone adhesive. Via the simultaneous ring-opening reaction between the COOH and epoxide-functionalized silicone and the polymerization of theα-lipoic acid, the resulting network exhibited dynamic properties. The shear strength of the LASA90 presented strong adhesion (up to 88 kPa) on various substrates including steel, aluminum, PET, and PTFE. Meanwhile, reversible adhesion was shown multiple times under mild heating conditions (80 °C). The rheology, TG-DTA, DSC, and1H NMR showed that the degradation of the LASA occurred at 150 °C via the retro-ROP of the five-membered disulfide ring, indicating their recyclability after usage. Conclusively, we envision that a silicone adhesive based onα-lipoic acid as a natural linker is more sustainable than conventional silicone thermosets because of its desired properties, strong adhesion, reversibility, and on-demand heat degradation.
研究领域:
材料科学
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化学工程
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可持续发展
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粘合技术
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聚合物化学
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高影响因子
ACS Sustainable Chemistry & Engineering
·
2019
·
IF 6.97
Fusheng Liu,Ran Ping,Penghui Zhao,Yongqiang Gu,Jun Gao,Mengshuai Liu
Multifunctional succinimide-based ionic liquids (SIILs) were well-designed and synthesized, and they were used as a dual solvent–catalyst for efficient transformation of CO2 and 2-aminobenzonitriles into quinazoline-2,4(1H,3H)-diones under mild conditions. The catalytic behaviors, including the effects of anion–cation structures and reaction parameters, catalyst recyclability, and versatility were thoroughly studied. The optimum [HTMG][Suc] comprising a tetramethylguanidine cation and a succinimide anion showed excellent activity toward various substituted 2-aminobenzonitrile substrates. [HTMG][Suc] was easily recyclable with superior structural integrity. The possible pathways of CO2 and 2-aminobenzonitrile activated by [HTMG][Suc] were investigated in depth, which supported the reaction mechanism well. In comparison with reported catalysts, the protocol herein exhibited comparable catalytic performance under milder and greener conditions without any additional organic solvents.
研究领域:
化学
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环境科学
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材料科学
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高影响因子
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2019
·Vol. 26
·期 6
·5804-5813
·
IF 2.914
Meng Zhiyuan,Zhu Wentao,Wang Dezhen,Li Ruisheng,Jia Ming,Yan Sen,Yan Jin,Zhou Zhiqiang
The widespread application of bisphenols (BPs) in the industry has made them ubiquitous in the environment, causing potential environmental risks. Its unknown impacts on human being have received more and more attention. In this study, we have assessed the metabolic effects of perinatal exposure to bisphenol A (BPA) and its substitutes (bisphenol S (BPS), bisphenol F (BPF), and bisphenol AF (BPAF)) in female mice adolescent offspring and female mice adulthood offspring. 1 H NMR-based serum metabolomics showed that metabolic profiles were disturbed with BPA and its three substitutes exposure in female mice adolescent offspring and female mice adulthood offspring. In addition, age-related metabolic effects were found based on changes in serum endogenous metabolites and metabolic pathways. Specifically, metabolic pathway analysis showed that major disturbed metabolic pathways in female mice adulthood offspring compare with female mice adolescent offspring also changed significantly. With the increase of age of the female mice offspring, changes in the metabolic pathways became more obvious in the BPA treatment group. Conversely, partially disturbed metabolic pathways were restored in the BPS, BPF, and BPAF treatment groups. In conclusion, perinatal exposure to BPA and its three substitutes significantly interferes with metabolic profiles and metabolic pathways, and this metabolic effects were age-related. These results offer more detailed information about the age-related metabolic effects of perinatal exposure to BPA, BPS, BPF, and BPAF in female mice offspring and provide data for systematic evaluation of the health risk assessment of BPA and its substitutes.
研究领域:
环境毒理学
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代谢组学
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发育生物学
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生殖毒理学
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分子毒理学
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环境健康
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生命早期暴露
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高影响因子
JOURNAL OF MEDICINAL CHEMISTRY
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2024
·
IF 6.8
Bei Zhang,Zhong-Kai Zou,Jian-Fan Cai,Wen-Ming Tan,Jun-Wei Chen,Wei-En Li,Jing-Nan Liang,Wei-Pei Wu,Gang Wang,Xiao-Hong Ruan,Pei-Liang Zhao
Phosphodiesterase 5 (PDE5) is a cGMP-specific hydrolytic enzyme and widely distributed in versatile tissues. PDE5 has been identified as a valid therapeutic target for treating erectile dysfunction and pulmonary arterial hypertension (PAH). Herein, a hit-to-lead structural optimizations were performed on the PDE1 inhibitor 10c, leading to compound 14b possessing great potency against PDE5A (IC50 = 3 nM) with high selectivity over PDE1, PDE2, PDE3, PDE4, PDE7, PDE8, PDE9, PDE10, and PDE11 by more than 1125-fold, and remarkable safety properties. Furthermore, oral administration of 14b (5.0 mg/kg) exerted much better pharmacodynamics effects on both mPAP (mean pulmonary artery pressure) and RVHI (index of right ventricle hypertrophy) than sildenafil citrate (10.0 mg/kg) in a monocrotaline-induced PAH rat model. Overall, these results proposed a novel highly selective PDE5 inhibitor 14b which could serve as a potential candidate for treatment of PAH.
研究领域:
药理学
·
心血管疾病研究
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高影响因子
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
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2026
·
IF 5.3
Jiake Gao,Yujing Zhang,Rui Qu,Qianqian Xu,Zhenjuan Sun,Liya Cui,Chao Wang
Microtubules assembled from α/β-tubulin heterodimers are critical for cell division and well-established anticancer drug targets, making tubulin polymerization inhibitors a viable route for new chemotherapeutics. Guided by structural analysis of colchicine-site binders and tubulin-ligand computational simulations, we rationally designed and synthesized a series of 6-aryl-1-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidines as novel colchicine-binding site tubulin inhibitors. Derivative 9t displayed the strongest antiproliferative potency, with IC₅。 values of 0.065-0.096 μM across tested cancer lines. It exerted minimal toxicity to normal L929 fibroblasts, yielding a selectivity index over 300. Mechanistic assays confirmed 9t suppresses cell-free tubulin polymerization, destroys cellular microtubule architecture, induces persistent G₂/M cell cycle arrest, and activates cancer cell apoptosis. Overall, 9t serves as a promising dual-function tubulin inhibitor with both cytostatic and cytotoxic anticancer effects, meriting further preclinical investigation.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Manman Liu,Luyao Wang,Chen Cheng,Zhaohui Qiu,Sheng Liu,Liu Yang,Guangyi Liu
To achieve an eco-friendly flotation separation of galena from pyrite under the low alkaline and depressant-free conditions, the triazine-dithione surfactants, such as 2-dimethylamino- s -triazine-4-thiol-6(1H)-thione sodium (DMN), 2-diethylamino- s -triazine-4-thiol-6(1H)-thione sodium (DEN) and 2-dibutylamino- s -triazine-4-thiol-6(1H)-thione sodium (DBN) were designed as the special collectors for galena. The micro-flotation results showed that the collecting capacity of these three collectors towards galena was in the order of DBN > DEN ≫ DMN, being consistent with their hydrophobization ability. In-situ AFM observed the aggregation of DBN on the whole surface of galena, which significantly enhanced the contact angle of galena. UV spectra and zeta potential recommended that the affinity of DBN towards lead ions and galena was much stronger than ferrous/ferric ions and pyrite. DFT (density functional theory) calculation revealed DBN’s two exo -S atoms were of its electron-donating center. And XPS confirmed the bonding interaction of the two exo -S atoms with Pb(Ⅱ) atoms on/in galena surface. DBN owned the mild electron-donating capacity and strong electron-accepting ability, and realized the eco-friendly flotation separation of galena from pyrite at pH ∼8.0.
研究领域:
矿物加工工程
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表面化学
·
环境科学
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高影响因子
JOURNAL OF COORDINATION CHEMISTRY
·
2025
·
IF 2.1
Hou Cong Li,Ming Zhu Wang,Ye Fan Zheng,Ning An,Min Hou,Jing Hu,Wen Ge Li
Three chlorinated metal complexes [Ni2(HL)2(C2H5OH)2Cl2]·2C2H5OH (complex 1), [Co(HL)(L)] (complex 2), and [Zn2(HL)2(CH3COO)2] (complex 3) derived from 5-chlorosalicylaldehyde and 2-(2-aminophenyl)-1H-benzimidazole Schiff base ligand (H2L). The crystal structures of the three complexes were characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis, X-ray single-crystal diffraction, and UV-visible absorption spectrum. The in vitro cytotoxicity of chlorinated ligand and its metal complexes were evaluated on four different tumor cell lines (A-549 lung cancer, SMMC-7721 liver cancer, MDA-MB-231 breast cancer, and CNE-2Z nasopharyngeal carcinoma), and normal ovarian epithelial cell (IOSE 80) was determined by MTT assay. The results indicated that chloro-benzimidazole Schiff base Co (III) complex (complex 2) displayed higher cytotoxicity against MDA-MB-231 cell line than cisplatin, while the cytotoxicity on IOSE 80 was lower than that of cisplatin. The results of further study of MDA-MB-231 cells by complex 2 showed that complex 2 could inhibit MDA-MB-231 cells in the G0/G1 phase, inhibit cell proliferation and migration, promote cell apoptosis, and increase intracellular ROS level. The Western blot analysis demonstrated that complex 2 could increase Bax protein expression and decrease Bcl-2 protein expression in MDA-MB-231 cells.
研究领域:
无机化学
·
药理学
·
肿瘤学
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高影响因子
JOURNAL OF PHYSICAL CHEMISTRY B
·
2013
·
IF 3.607
Liqing Xie,Huiting Liu,Shuaiyuan Han,Baohua Yue,Liuming Yan
Intermolecular and intramolecular hydrogen bond (H-bond) and proton transport in acid–base complexes and amphoteric molecules consisting of phosphonic acid groups and nitrogenous heterocyclic rings are investigated by density functional theory calculations and 1H NMR and 31P NMR spectroscopy. It is concluded that a phosphonic acid group can act both as H-bond donor and H-bond acceptor, while an imine nitrogen atom can only act as H-bond acceptor and an amine group as H-bond donor. And the intramolecular H-bond is weaker than the intermolecular H-bond attributing to configurational restriction. In addition, the strongest H-bond interaction is observed between a phosphonic acid and a 1H-indazole because of the formation of double H-bonds. The 1H NMR and 31P NMR chemical shifts for the acid–base complexes are consistent with the density functional theory calculations. From the 1H NMR chemical shifts, fast proton exchange is observed between a phosphonic acid and 1H-benzimidazole or 1H-indazole. Finally, it is proposed that polymeric material tethered with 1H-benzimidazole or 1H-indazole rings is a favorable component for high-temperature proton exchange membranes based on acid–base complexes or acid–base amphoteric molecules.
研究领域:
化学
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材料科学
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DOI
PubMed
高影响因子
NEW JOURNAL OF CHEMISTRY
·
2016
·Vol. 40
·期 3
·2530-2540
·
IF 3.277
Hongqin Yang,Yanmei Huang,Di Wu,Jin Yan,Jiawei He,Hui Li
Sofosbuvir (SOF), an oral nucleotide inhibitor of the nonstructural protein 5B RNA of the hepatitis C virus (HCV), was approved for treating chronic HCV infection by the Food and Drug Administration in 2013. Understanding drug–protein interactions is a crucial factor in determining the pharmacokinetics and pharmacodynamics of a drug. In this study, the interaction between SOF and human serum albumin (HSA) was investigated using 1H nuclear magnetic resonance (NMR) spectroscopy, the molecular docking method, fluorescence studies, Fourier transform infrared (FT-IR) spectroscopy, and circular dichroism (CD) spectroscopy. The analysis of saturation transfer difference (STD) and WaterLOGSY data indicated that SOF was bound to HSA, and the STD signals showed that the methyl and aromatic protons of the hydrophobic components of SOF have the most intimate contact with protein. The negative free energies (−7.17 kcal mol−1 and −6.18 kcal mol−1) obtained from molecular docking and fluorescence studies clearly suggested the spontaneity of the interaction of the SOF–HSA complex. STD, WaterLOGSY and fluorescence displacement experiments demonstrated that SOF was preferentially bound to site I of HSA, and this finding was supported by the docking results. In addition, synchronous and three-dimensional (3D) fluorescence, FT-IR, and CD spectrocopy provided complementary information on the micro-environmental and conformational changes of HSA with the addition of SOF. The combination of 1H NMR and conventional methods provided useful information to further elucidate the binding mechanisms of antiviral drugs with HSA.
研究领域:
病毒学
·
药理学
·
生物化学
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高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2020
·
IF 5.162
Yue Shi,Xiao Wang,Ning Wang,Fei-Fei Li,Yu-Lin You,Shu-Qi Wang
Glioblastoma (GBM) is the most malignant central nervous system tumor, with poor prognosis. Temozolomide (TMZ) has been used as a first–line drug for the treatment of GBM for over a decade, but its treatment benefits are limited by acquired resistance. Polysaccharides from Cibotium barometz (CBPs) are polysaccharides purified from the root of Cibotium barometz (L.) J . Sm., possessing sensitizing activity. The purpose of this study was to investigate the anti–cancer effect of CBP from different processing methods on U87 cells using a 1 H NMR–based metabolic approach, complemented with qRT–PCR and flow cytometry, to identify potential markers and discover the targets to explore the underlying mechanism. Cibotium barometz is usually processed under sand heating in clinical applications. Polysaccharides from both the processed (PCBP) and raw (RCBP) C. barometz were prepared, and the effect on enhancing the sensitivity to TMZ was investigated in vitro. CBP can significantly increase the toxicity of TMZ to the U87 cell line, promote apoptosis, enhance cell cycle changes, and arrest cells in S phase, and RCBP demonstrated better activity. Multivariate statistical analyses, such as principal component analysis (PCA) and orthogonal projection to latent structure with discriminant analysis (OPLS–DA), were used to identify metabolic biomarkers, and 12 metabolites in the cell extract samples were clearly identified as altered after RCBP exposure. NMR–based cell metabolomics provided a holistic method for the identification of CBP's apoptosis–enhancing mechanisms and the exploration of its potential applications in preclinical and clinical studies.
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PubMed
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2022
·Vol. 24
·期 34
·20073-20081
·
IF 3.945
Ruifen Shi,Fengyi Zhou,Yu Chen,Zhenghui Liu,Shuzi Liu,Tiancheng Mu
Deep eutectic solvents (DESs) are well-known as novel solvents due to their unique properties, which are indispensable for the development of green chemistry in the future. CoCl2·6H2O and NiCl2·6H2O-based DESs, which could be called magnetic DESs (MDESs) for short in view of their responsive behavior to an external magnetic field, have been widely used in many industrial applications, such as biomass treatment, electrolytes, and material preparation. For better application and full-scale development of these MDESs in various fields, eleven MDESs were prepared in this work by using CoCl2·6H2O and NiCl2·6H2O as hydrogen bond acceptors (HBAs) with alcohols, carboxylic acids and amides as hydrogen bond donors (HBDs), respectively. The intermolecular interactions between the components of MDESs were characterized via FTIR, 1H NMR and DSC analysis. In addition, physicochemical properties including density, viscosity, conductivity, ionicity, pH values, surface tension, thermostability and solvatochromic parameters were investigated. All MDESs exhibit acid characteristics and have good conductivity comparable with ionic liquids (ILs) and other DESs used for electrolytes. The results show that stronger H-bonding networks in Ni-based MDESs make them have higher density, viscosity, polarity and surface tension values than Co-based MDESs. Moreover, all prepared MDESs possess a good conductivity behavior which could be comparable to that of common organic solvents and ILs. According to this work, we could better comprehend the behavior of Co/Ni-based MDESs and choose the appropriate one for particular applications.
研究领域:
化学
·
材料科学
·
绿色化学
·
工业应用
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高影响因子
危险品化学品经营许可证（带存储）