JOURNAL OF MOLECULAR STRUCTURE
·
2021
·
IF 3.196
Xuejuan Yang,Yanhong Zhu,Xinlei Chen,Xingjun Gao,Shouwen Jin,Bin Liu,Li He,Bin Chen,Daqi Wang
Cocrystallization of the simplest bulky organic amine, tert‑butylamine (L), with a series of organic acids got a whole of 10 anhydrous salts with the compositions: tert‑butylammonium 2-(4-chlorophenoxy)-2-methylpropionate [(HL) + ·(cpmppa − ), cpmppa − =2-(4-chlorophenoxy)-2-methylpropionate] (1) , bis(tert‑butylammonium) dibenzoyl- l -tartarate [(HL + ) 2 ·(dbztat) 2− , (dbztat) 2- = dibenzoyl- l -tartarate] (2) , tert‑butylammonium pyrazinecarboxylate [(HL + )·(pyrca) − , pyrca = pyrazinecarboxylate] (3) , tert‑butylammonium 2-(4-chlorobenzoyl)benzoate [(HL + )·(cbzbz) − , cbzbz = 2-(4-chlorobenzoyl)benzoate] (4) , tert‑butylammonium 3-methylsalicylate [(HL + )·(3-msal) − , 3-msal = 3-methylsalicylate] (5) , tert‑butylammonium 4-methylsalicylate [(HL + )·(4-msal) − , 4-msal = 3-methylsalicylate] (6) , tert‑butylammonium 2‑chloro-4-nitrobenzoate [(HL + )·(cnba) − , cnba = 2‑chloro-4-nitrobenzoate] (7) , tert‑butylammonium 4‑bromo-3,5-dimethoxy benzoate [(HL + )·(bdmbza) − , bdmbza = 4‑bromo-3,5-dimethoxy benzoate] (8) , tert‑butylammonium 3,5-diiodosalicylate [(HL + )·(didsal) − , didsal = 3,5-diiodosalicylate] (9) and tert‑butylammonium 3,5,6-trichlorosalicylate [(HL + )·(tcsal) − , tcsal =3,5,6-trichlorosalicylate] (10) . The salts have been featured by XRD, IR and EA, the melting points were also gauged. Their structural and supramolecular aspects are analyzed in detail; all compounds are ionic with H-transferring to the tert‑butylamine. The result unveils that among the whole investigated crystals the NH 2 units in L are protonated when the acids are deprotonated and the crystal packing is interpreted via the strong charge-assisted N H⋯O H-bond from the NH 3 + and the CO 2 − . Apart from the N H⋯O H-bond, the O H···O H-bonds were also found at 5, 6, 9 and 10. 3, 9 and 10 had the additional N H⋯N, N H···I and N H···Cl H-bonds, respectively. Deep analysis of the crystal packing uncovered that a different set of additional O···O, Cl···Cl, Cl···O, Br···O, I···I, CH 3 ···C, CH 3 ···CH, CH 3 ···CH 3 , CH···O/CH 3 ···O, CH 3 ···Cl and CH 3 ···π contacts contribute to the stabilization and expansion of the total structures. For the synergism of the various nonbonding forces these structures had the homo/hetero supramolecular synthons. Some classical synthons of R 2 2 (8), R 4 2 (8), R 4 3 (10) and R 4 4 (12), commonly contained in solids of organic acids with amine, were present in these hydrogen bonding nets.
研究领域:
化学
·
晶体学
·
超分子化学
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高影响因子
Minerals
·
2024
·Vol. 14
·期 12
·1255
·
IF 2.2
Chenglong Du,Jiang Yu,Guangyi Liu
Iron ore is the main raw material of the iron and steel metallurgy industry, but quartz in iron ore reduces metallurgical efficiency and increases metallurgical costs. Therefore, iron ore desiliconization by flotation plays an important role in the iron and steel metallurgy industry. In this study, 4-tert-butyl-catechol (TBC) was designed as a collector to directly float out hematite from quartz. The micro-flotation tests demonstrated that under pH ~9.0, 1 × 10−5mol·L−1TBC recovered 98% hematite from its mixture with quartz, while the recovery of quartz was only about 17%. Zeta potential and contact angle results inferred that the adsorption affinity of TBC toward hematite was greater than that to quartz. The results of FTIR and XPS inferred that TBC adsorbed on the Fe3+sites of hematite interfaced via the O atom of its two adjacent hydroxyl groups to form a stable five-membered chelating ring at pH 9.0. This study offered new research insight on the development of novel collectors for hematite flotation through bionics technology.
研究领域:
矿物加工工程
·
材料科学与工程
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高影响因子
CHEMOSPHERE
·
2024
·
IF 8.1
Yan Li,Zongyan Huang,Hui Zhang,Jieyu Zhao,Daolin Du
Plant-microbe remediation technique is considered as a promising technology in removal of organic pollutants and its remediation efficiency is largely affected by a variety of surrounding environmental factors. Humic acid (HA) is the complex organic substance ubiquitous in environment, which characterized by its surfactant-like micelle microstructure and various reaction activity. In our study, a plant-microbe association with high p - tert -Butylphenol (PTBP) degradation potential constructed by Spirodela polyrhiza and Sphingobium phenoxybenzoativorans Tas13 has been used, and the influence of HA on the PTBP degradation efficiency of S. polyrhiza -Tas13 association was investigated. The result showed that the presence of HA greatly improved PTBP removal efficiency of S. polyrhiza -Tas13. The reason accounted for this may be due to the presence of HA promoted bacterial cell propagation, altered bacterial cell wall permeability, increased catechol 2,3-dioxygenase (C23O) enzyme activity of strain Tas13, rather than increasing the colonization ability of strain Tas13 on to the root surface. This study will greatly facilitate the application of aquatic plant-microbe association in environmental remediation.
研究领域:
环境科学
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微生物学
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DOI
PubMed
高影响因子
Foods
·
2024
·Vol. 13
·期 18
·2996
·
IF 4.7
Jing Wu,Huilin Li,Zhijuan Wang,Mingfei Pan,Shuo Wang
Tert-butylhydroquinone (TBHQ) is a phenolic substance that is commonly employed to prevent food oxidation. Excessive or improper utilization of this antioxidant can not only impact food quality but may also pose potential risks to human health. In this study, an ultrasensitive, stable, and easily operable ratiometric electrochemical sensor was successfully fabricated by combining the tubular (3,4-ethylenedioxythiophene) (T-PEDOT) with single-wall carbon nanohorns (SWCNHs) for the detection of TBHQ antioxidants in food. The SWCNHs/T-PEDOT nanocomposite fabricated through ultrasound-assisted and template approaches was employed as the modified substrate for the electrode interface. The synergistic effect of SWCNHs and T-PEDOT, which possess excellent electrical conductivity and catalytic properties, enabled the modified electrode to showcase remarkable electrocatalytic performance towards TBHQ, with the redox signal of methylene blue serving as an internal reference. Under optimized conditions, the SWCNHs/T-PEDOT-modified electrode demonstrated good linearity within the TBHQ concentration range of 0.01–200.0 μg mL−1, featuring a low limit of detection (LOD) of 0.005 μg mL−1. The proposed ratiometric electrochemical sensor displayed favorable reproducibility, stability, and anti-interference capacity, thereby offering a promising strategy for monitoring the levels of TBHQ in oil-rich food products.
研究领域:
食品科学
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材料科学
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分析化学
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DOI
PubMed
高影响因子
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE
·
2026
·
IF 5
Guihong Li,Ting Lei,Erpeng Liu,Jing Shen,Dun Liu,Xuqiang Zhu
USP53 upregulation is identified as an independent risk factor for GBM progression. • USP53 upregulation is associated with poor prognosis of GBM patients. • USP53 promotes cell growth and the tumorigenicity of GBM cells. • USP53 removes ubiquitination from ALKBH5 and enhances its stability. • ALKBH5 removes the m6A modification of TERT and increases its RNA stability. Glioblastoma (GBM) is the most common malignant glioma, with a high recurrence rate and a poor prognosis. Deubiquitinating enzyme ubiquitin-specific peptidase 53 (USP53), known to enhance the stability of downstream proteins, exhibits distinct functions in different tumors. The function of USP53 in GBM progression remains unclear. Analysis of GSE104267 and GSE4290 datasets revealed significant USP53 upregulation in GBM tissues, a finding confirmed by TCGA data comparing GBM ( n = 163) with normal brain tissues ( n = 207). In univariate and multivariate cox regression analysis, USP53 was identified as an independent risk factor (univariate, hazard ratio (HR) =1.5357, p = 0.0229; multivariate, HR =1.4851, p = 0.0385) for GBM progression. Patients with high expression of USP53 had worse prognosis compared to those with low expression of USP53. Functionally, USP53 knockdown potently inhibited proliferation and induced apoptosis in LN229 and A172 cells in vitro and attenuated tumorigenicity of LN229 cells in vivo . Conversely, forced expression of USP53 had a carcinogenic effect. Mechanistically, USP53 targeted ALKB homolog 5 (ALKBH5) for deubiquitination, thereby stabilizing the protein and prolonging its half-life. Restoring ALKBH5 expression rescued the proliferative deficit in USP53-silenced LN229 cells. Telomerase catalytic subunit telomerase reverse transcriptase (TERT) was identified as a downstream effector of the USP53/ALKBH5 axis, where ALKBH5 upregulated TERT RNA expression by erasing m6A modifications at position 1989 bp on TERT mRNA. Collectively, those observations demonstrate that USP53/ALKBH5 axis drives GBM progression by targeting TERT, indicating that USP53/ALKBH5 axis may serve as a potential therapeutic target for GBM. Download: Download high-res image (229KB) Download: Download full-size image
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高影响因子
POLYMER DEGRADATION AND STABILITY
·
2026
·
IF 8.1
Shuai Lu,Xueqing Li,Xue Mei,Hongye Yan,Yan Tang,Yu Zhou,Yang Zhou,Hongxiang Chen
The recycling of end-of-life thermoset polyurethane with covalently cross-linked structure is an urgent problem to be solved. However, the chemical recycling strongly relies on acid/base catalysts or high-temperature conditions due to its high chemical stability. To address this challenge, a bifunctional tert ‑alcohol is incorporated into the backbone of polyurethane. The steric hindrance of tert ‑alcohol substituent can promote cleavage of urethane linkages, thereby enabling efficient hydrolysis of thermoset polyurethane under catalyst-free conditions at moderate temperature. The thermoset polyurethane elastomer was prepared with commercial 2,5-dimethyl-2,5-hexanediol (DMHDO) replacing bifunctional primary alcohol as a chain extender. The results revealed that the thermoset polyurethane elastomer underwent catalyst-free hydrolysis in a water-acetone mixture at 140∼150°C. That is, its cross-linked network was nearly completely disconnected to generate linear or branched polyurethane, diphenylmethane diamine (MDA) and DMHDO. The hydrolysis mechanism was inferred based on kinetics analysis of the model compound and trapping experiment of the intermediates. Additionally, the hydrolysis products were recycled for the preparation of polyurethane elastomer. This work provides an available strategy for the hydrolysis and recycling of thermosetting polyurethane elastomers.
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高影响因子
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2025
·
IF 3.1
Wang Wei,Chen Yujie,Shi Mengyao,Dang Yunyang,Li Zhao,Song Zhiwei,Yang Yiwen,Hou Zhiqiang
The thermal decomposition mechanism of tert-butyl peroxybenzoate (TBPB) was investigated by experiment and molecular simulation in consideration of the instability of O–O bond. A single exothermic peak during the decomposition of TBPB was found in the range of 348.17–475.26 K with 70.50–131.91 kJ mol −1 activation energy, releasing 1201.30 ± 124.18 J g −1 heat. The effect of temperature on the decomposition pathways of TBPB was studied by gas chromatography/mass spectrometry and Gaussian. The cleavage of the O–O bond represented the initial and most critical rate-determining step in the thermal decomposition of TBPB. This process required endothermic energy to overcome the energy barrier of 108.3 kJ mol −1 , yielding two core intermediates: C 6 H 5 COO· and (CH 3 ) 3 CO·. These radical species subsequently underwent a series of spontaneous radical chain reactions driven by thermal effects. The final products, (CH 3 ) 2 CO, was firstly detected at 377.15 K due to the decomposition of (CH 3 ) 3 CO·. At 384.15 K, C 6 H 5 COO· broke to form C 6 H 5 ·, which reacted with ·H/·CH 3 to generate C 6 H 6 and C 6 H 5 CH 3 . The other C 6 H 5 COO· reacted with ·H/·CH 3 to form C 6 H 5 COOH and C 6 H 5 COOCH 3 overcoming 33.3 and 73.2 kJ mol −1 energy barriers, which broke up above 398.15 K to produce large amounts of C 6 H 6 and CH 3 C 6 H 5 . The results provide a detailed depiction of the complete, continuous thermal decomposition network of TBPB from initiation to final products, particularly concerning secondary decomposition of intermediates. This lays the foundation for developing targeted strategies, such as radical inhibition at critical stages, to enhance the safety of TBPB storage and transportation.
研究领域:
化学安全
·
物理化学
·
热分析
·
计算化学
·
反应动力学
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产品关联
DOI
高影响因子
LANGMUIR
·
2025
·
IF 3.9
Ruidong Ming,Siye Liu,Qingyi Su,Zhengliang Du,Yang Hu,Xianze Yin,Yiheng Song
The development of aminated polysaccharide materials is often hampered by a low amine grafting efficiency and high energy consumption. Herein, we report a novel one-pot precipitation polymerization strategy for the facile and scalable synthesis of amine-modified glucose (AMG) by synergistically integrating three distinct reactions: the epoxy-amine addition for oligomer formation, the condensation cross-linking for constructing robust networks, and the Maillard reaction for dramatically enhancing amine grafting sites. This synergistic approach enables a high nitrogen content (18.0%) and a positive surface charge (+31.3 mV) in the resulting AMG. More importantly, the AMG exhibits a unique “hydrophilic and tert-butanol (TBA)-repellent” effect, which is mechanistically unraveled by a significant disparity in binding energy with water (−296.16 kcal/mol) versus TBA (−15.93 kcal/mol), as confirmed by molecular dynamics simulations. Through this effect, AMG successfully breaks the water-TBA azeotropic equilibrium that has been unreported, increasing the TBA concentration by 5% from that of its azeotrope via a simple distillation process. Furthermore, the obtained AMG demonstrates excellent and selective adsorption capacity for anionic dyes. This work provides a novel strategy for designing functional amino polysaccharides and develops a new technology for TBA azeotrope separation.
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PubMed
高影响因子
VIBRATIONAL SPECTROSCOPY
·
2018
·
IF 1.363
Xiaofang Zhang,Weihua Lin,Haofei Zhao,Rongming Wang
Metallophthalocyanine (MPc) derivatives show excellent photoelectric and magnetic properties due to their large π-conjugate system. Central metals and peripheral substituents are two important ways to adjust and optimize the properties of MPc via tuning the large π-conjugate system. In this work, Raman scattering spectra of MPc, including ZnPc, CuPc, CoPc, and NiPc, were investigated. The most intense band in the Raman spectra at about 1500 cm −1 , owing to the vibration of C N C bridge bonds, shifts significantly with the size of the metal ion , indicating a good marker of metal ion effect on the changes of the Raman shift. For the MPc with suitable sizes of metal ions (e.g., Zn 2+ , Cu 2+ , Co 2+ , Ni 2+ ), the structure of phthalocyanine ring is planar. The ring will be distorted according to the different forces of the central metal ions. When the polarization force of the central metal ion enhances (Zn 2+ < Cu 2+ < Co 2+ < Ni 2+ ), the Raman shift of C N C would simultaneously increase, and the bigger polarization force could lead to a larger Raman shift (ZnPc < CuPc < CoPc < NiPc). On the other hand, the C N C Raman shift of the 3-substituted MPc was relatively smaller than that of the 4-substituted one with the same central metal ion. When the electron density of the phthalocyanine ring was relatively low, the energy of the system would increase and the Raman peak would correspondingly shift distinctly. Our Raman spectra results are consistent with the UV–vis measurement results. This work will provide the basis for structure analysis, and design of new molecular materials, as well as their application.
研究领域:
材料科学
·
光谱学
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DOI
高影响因子
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
·
2018
·Vol. 34
·期 5
·828-832
·
IF 1.248
Qiao Yaping,Yuan Xiaoyan,Zhao Yunhui,Ren Lixia
Controlled preparation of brush polymers is important in the design of functional materials. In this study, poly( tert -butyl acrylate) macromonomers functionalized with norbornenyl end group(NB-P t BA) were synthesized via atom transfer radical polymerization in three different molecular weights, 2000(NB-P t BA-2k), 3000(NB-P t BA-3k), and 8000(NB-P t BA-8k). Additionally, brush polymers with P t BA as side chains were synthesized via ring-opening metathesis polymerization(ROMP). Kinetic studies on ROMP of NB-P t BA showed that there was a ceiling degree of polymerization(CDP) for the brush polymers, beyond which the polymerization of NB-P t BA was out of control. For brush polymers of P[NB-P t BA-2k] and P[NB-P t BA-3k], CDPs were estimated to be ca . 400, but the value of P[NB-P t BA-8k] was ca . 100. Therefore, the controlled ROMP of brush polymers was critical at the CDP limit with increased macromonomer molecular weight.
研究领域:
材料科学
·
高分子化学
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DOI
高影响因子
RSC Advances
·
2018
·Vol. 8
·期 28
·15831-15841
·
IF 2.936
Li Zong,Zifeng Pi,Shu Liu,Zhiqiang Liu,Fengrui Song
The comprehensive characterization of metabolome and lipidome to reveal unknown pathological conditions, are being used to investigate the molecular mechanisms of cancer, especially in the field of early diagnosis, treatment, and prognosis. The multidrug resistance (MDR) of tumor cells limits the therapeutic effect of anti-cancer drugs and is the main obstacle for chemotherapy. Here, we adopted a methyl-tert-butyl ether (MTBE)-based extraction method to simultaneously extract small polar molecules and lipophilic metabolites for nontargeted metabolomics of multidrug-resistant breast cancer cell line MCF-7/ADR and its parental cell line MCF-7/S by ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry. Distinctly different metabolic features were shown between MCF-7/ADR cells and MCF-7/S on the basis of multivariate analyses. 17 potential biomarkers were identified. And these potential biomarkers were mainly correlated with cell membrane lipids composition, cell signaling regulated by lipids, and anti-oxidation ability. The studies of cellular ultrastructure and morphology by in situ atomic force microscopy (AFM) also demonstrated the cellular membrane changed along with the MDR. We expect that this study could provide a new method for monitoring drug resistance during clinical chemotherapy and be useful for the development of drugs to overcome the MDR.
研究领域:
癌症生物学
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药理学
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分析化学
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细胞生物学
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生物信息学
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DOI
PubMed
高影响因子
MICROCHIMICA ACTA
·
2021
·Vol. 189
·期 1
·1-9
·
IF 5.833
Yang Dezhi,Li Qiulan,Zhang Qian,Wang Yijie,Li Hong,Tammina Sai Kumar,Yang Yaling
An Au-based nanozyme composite (AuNPs/Cu,I) was constructed by using Cu,I-doped carbon dots (Cu,I-CDs) as the reducing agent as well as the nanozyme. Notably, AuNPs/Cu,I nanozyme not only possessed the intrinsic activity of mimicking enzymes of superoxide dismutase, peroxidase, and catalase at different conditions but was also employed as surface-enhanced Raman spectroscopy (SERS) enhancer. The combination of Cu,I-CDs and AuNPs promoted the electron transferability, leading to increased peroxidase-like activity and superoxide-like activity. Compared to the individual Cu,I-CDs and AuNPs nanozyme, the AuNPs/Cu,I composite demonstrated promising peroxidase-like activity by transferring electrons instead of generating OH. Interestingly, the multienzyme-like activity of AuNPs/Cu,I nanozyme could be finely tuned by changing the composition of Cu 0 /Cu + and Au. The tert -butyl hydroquinone (TBHQ) as the substrate could be catalyzed with AuNPs/Cu,I nanozyme to produce red substances, resulting in a significant Raman enhancement effect at the same time, showing good linear range from 0.11 to 10 mg L −1 . Overall, the current investigation provides a flexible and controllable way to design multifunctional nanozymes along with the Raman enhancement strategy based on the catalysis of nanozyme. Graphical abstract
研究领域:
分析化学
·
生物医学工程
·
纳米技术
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）