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JOURNAL OF HAZARDOUS MATERIALS · 2020 · IF 9.038

Kinetics and reaction pathways for the transformation of 4-tert-butylphenol by ferrate(VI)

Qing Zheng,Nannan Wu,Ruijuan Qu,Gadah Albasher,Wanming Cao,Beibei Li,Nouf Alsultan,Zunyao Wang

4- tert -butylphenol (4-tBP) is a phenolic endocrine disrupting chemical that has attracted great attention due to its wide occurrence, environmental persistence, and possible toxic effects. In this study, we systematically investigated the transformation of 4-tBP in ferrate (VI) oxidation process. The second-order reaction rate constant ( k app ) of Fe(VI) with 4-tBP decreases with solution pH, and the k app value was determined as 295 M −1 ·s −1 at pH 8.0. The removal efficiency of 4-tBP was slightly decreased by Mg 2+ and HCO 3 – , while accelerated at varying degrees by the presence of Cu 2+ and humic acid. Product analysis revealed that 4-tBP was mainly transformed into hydroxylation products, benzene-ring cleavage products, dimers and higher polymerization products via oxygen atom transfer, ring-opening of the benzene ring and radical coupling reaction. Furthermore, initial reactions of 4-tBP were rationalized by theoretical analysis of atom partial charges, frontier electron densities, and spin densities. Nearly complete removal of 4-tBP (20 μM) was achieved after 5 min of reaction in both ultrapure water and natural waters, demonstrating the feasibility of this Fe(VI) oxidation method in treating phenols-contaminated waters.

研究领域: 环境科学 · 化学动力学
✓ 已验证 DOI PubMed 高影响因子
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PROCEEDINGS OF THE COMBUSTION INSTITUTE · 2020 · IF 5.627

Flow reactor pyrolysis of iso-butylbenzene and tert-butylbenzene at various pressures: Insight into fuel isomeric effects on pyrolysis chemistry of butylbenzenes

Yan Zhang,Xiaoyuan Zhang,Chuangchuang Cao,Jiabiao Zou,Tianyu Li,Jiuzhong Yang,Lili Ye,Yuyang Li

This work reports an experimental and kinetic modeling investigation on the flow reactor pyrolysis of iso -butylbenzene and tert -butylbenzene at 0.04 and 1 atm. Pyrolysis products were detected and identified using synchrotron vacuum ultraviolet photoionization mass spectrometry , and their mole fractions versus heating temperature were measured. High-pressure-limit and pressure-dependent rate constants of unimolecular decomposition reactions of iso -butylbenzene were calculated in this work using the same method as the theoretical calculation investigation on similar reactions of n -butylbenzene, sec -butylbenzene and tert -butylbenzene reported by Belisario-Lara et al. [ J. Phys. Chem. A , 122 (2018) 3980–4001]. Furthermore, a pyrolysis model of four butylbenzene isomers was developed from our previous models of n -butylbenzene and sec -butylbenzene and validated by the present experimental data. Modeling analysis was performed to reveal key pathways in fuel decomposition and polycyclic aromatic hydrocarbon (PAH) formation of iso -butylbenzene and tert -butylbenzene. The dominant decomposition reactions of iso -butylbenzene and tert -butylbenzene under pyrolysis conditions are benzylic C C bond dissociation reactions, while the major products in pyrolysis process are produced by β - scission reactions of primary radical products. Fuel-specific pathways are found to strongly affect the formation of PAHs, especially for indene, naphthalene and phenanthrene. Fuel isomeric effects on the pyrolysis of four butylbenzene isomers were also analyzed with special concerns on the fuel decomposition and PAH formation processes. Different sidechain structures result in different distributions of major products, while different formation pathways and concentrations of precursors lead to different formation tendency of typical PAHs.

研究领域: 化学工程 · 燃料化学
✓ 已验证 DOI 高影响因子
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2024 ·Vol. 25 ·期 18 ·10188 · IF 4.9

Components in SLPE Alleviate AD Model Nematodes by Up-Regulating Gene gst-5

Peng Zhao,Zifu Wang,Shimei Liao,Yangxin Liao,Shijun Hu,Jianchun Qin,Donghua Zhang,Xiaohui Yan

Salvia leucanthais a perennial herb of the genusSalviain the family Labiatae, which has a wide range of biological activities, mainly including inhibition of acetylcholinesterase, antibacterial, and anti-inflammatory activity. To explore the protective effects and mechanism of action ofS. leucanthaon Alzheimer’s disease (AD), the anti-AD activity of SLE (extracts ofS. leucantha) was determined by using a transgenicCaenorhabditis elegans(C. elegans) model (CL4176). Analyses included paralysis assay, phenotypic experiments, transcriptome sequencing, RNA interference (RNAi), heat shock assays, and gas chromatography-mass spectrometry (GC-MS). SLPE (S. leucanthapetroleum ether extract) could significantly delay CL4176 paralysis and extend the longevity ofC. elegansN2 without harmful effects. A total of 927 genes were significantly changed by SLPE treatment inC. elegans,mainly involving longevity regulatory pathways—nematodes, drug metabolism—cytochrome P450, and glutathione metabolic pathways. RNAi showed that SLPE exerted its anti-AD activity through up-regulation of the genegst-5; the most abundant compound in SLPE analyzed by GC-MS was 2,4-Di-tert-butylphenol (2,4-DTBP), and the compound delayed nematode paralysis. The present study suggests that active components inS. leucanthamay serve as new-type anti-AD candidates and provide some insights into their biological functions.

CAS / MDL: 96-76-4
研究领域: 药理学 · 神经科学 · 分子生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2015 · IF 7.435

Facile synthesis of flower-like Bi12O17Cl2/β-Bi2O3 composites with enhanced visible light photocatalytic performance for the degradation of 4-tert-butylphenol

Guangping He,Chunlan Xing,Xin Xiao,Ruiping Hu,Xiaoxi Zuo,Junmin Nan

Novel three-dimensional flower-like Bi 12 O 17 Cl 2 /β-Bi 2 O 3 composites are prepared using a facile solvothermal-calcining process and their photocatalytic performances for the degradation of 4- tert -butylphenol (PTBP, a representative alkylphenol) are evaluated under visible light irradiation. The formation of such composites is assumed to involve the reduction of Bi(III) to nano-metallic bismuth via a solvothermal process, followed by the reaction of bismuth with oxygen and bismuth oxide chloride hydroxide during the calcination in air. The XRD, XPS, EDS mapping, HRTEM, UV–vis DRS, and photocurrent measurement results indicate that heterojunctions are formed between Bi 12 O 17 Cl 2 and β-Bi 2 O 3 with broad contact interfaces. The as-synthesized Bi 12 O 17 Cl 2 /β-Bi 2 O 3 hybrid materials possess favorable band structures, heterojunction structures, relatively high specific surface areas, and hierarchical micro/nano-structures, resulting in superior photocatalytic and mineralization efficiencies for the decomposition of PTBP under visible light irradiation. The optimum photocatalytic activity of a Bi 12 O 17 Cl 2 /β-Bi 2 O 3 sample is approximately 3, 12, 51, and 107 times higher than the activities of single β-Bi 2 O 3 , Bi 12 O 17 Cl 2 , nitrogen-doped TiO 2 , and BiOCl, respectively. In addition, the photogenerated reactive species are identified based on free radicals trapping experiments and EPR analysis, which reveals that the photodegradation of PTPB over Bi 12 O 17 Cl 2 /β-Bi 2 O 3 under visible light is dominated by direct hole and superoxide radical oxidation rather than oxidized by hydroxyl radical.

CAS / MDL: 98-54-4
研究领域: 材料科学 · 环境科学
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NEW JOURNAL OF CHEMISTRY · 2024 ·Vol. 48 ·期 17 ·7718-7725 · IF 2.7

Novel phosphate ester extractant for preferential extraction of hafnium over zirconium and its mechanism

Yanping Luo,Chengjin Xu,Jianhui Su,Xiujing Peng,Xiangfeng Kong,Shuo Wang,Jiahui Sun,Yu Cui,Yong Nie,Xuchuan Jiang,Guoxin Sun

Nuclear-grade zirconium and hafnium play an essential role in the nuclear industry. It is difficult to separate and purify zirconium and hafnium because of the similar properties caused by lanthanide shrinkage and the preferential extraction of hafnium is challenging. In this work, a new extractant, di(p-tert-butylphenyl)phosphate (DTBPPA), was synthesized, and its separation performance of zirconium and hafnium in the sulfuric acid system was evaluated. Under identical extraction conditions, DTBPPA shows excellent preferential extraction properties for hafnium compared to current commercial extractants, such as D2EHPA and PC88A. The highest SFHf/Zr value is up to 16.3. A crystal of the hafnium extracted species was grown to study the extraction mechanism and the principle of preferential extraction of hafnium. It was found that the crystal growth of zirconium-extracted species was difficult under the same conditions. Hafnium extracted species crystals reveal a six-coordinated hafnium ion bound to six extractant molecules. The electron withdrawing effect of the aromatic substituents results in a low electron density of O atoms in the P–O group of the new extractant, and the extractant coordination group shows the characteristics of a soft base. This matches the soft acid properties of hafnium ions. DTBPPA shows a solid ability to identify hafnium ions, thus achieving preferential separation of hafnium from zirconium and hafnium mixtures.

CAS / MDL: 10025-87-3
研究领域: 核化学 · 无机化学
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CATALYSIS LETTERS · 2024 ·Vol. 154 ·期 8 ·4756-4767 · IF 2.3

NaOH-Treated Hβ Zeolite: A Highly 4-Tert-butyl-phenol Selective Catalyst for Alkylation of Phenol with Tert-Butanol

Liu Kande,Wang Sitan,Zheng Lishan,Lou Shifeng,Meng Xuan,Cao Fahai,Liu Naiwang,Shi Li

The catalytic performance of Hβ zeolite treated with different concentration of NaOH on the alkylation of tert-butanol with phenol was studied. The effect of NaOH concentration on the crystallinity, morphology, textural property and acidity of Hβ zeolite was studied by X-ray diffraction (XRD), scanning electron microscope characterization (SEM), N 2 adsorption–desorption, Fourier transform infrared spectroscopy (FT-IR) and pyridine adsorption infrared spectra (Py-IR) techniques. A certain concentration of NaOH treatment can regulate the pore structure of Hβ zeolite and remove part of framework aluminum and framework silicon, thus achieving the purpose of regulating the pore structure and acidity of the catalyst. Though lower Bronsted to Lewis acid amount ratio when treated NaOH concentrations were 0.15 mol/L, leading to the increasing of selectivity to 4-TBP. The Hβ-0.2 M showed the high selectivity of 90.21% for synthesis of 4-tert-butyl-phenol (4-TBP), compared with the unmodified parent zeolite, the selectivity of 4-TBP improved 16.7%. Graphical Abstract

研究领域: 催化化学 · 材料科学
✓ 已验证 DOI 高影响因子
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ACS Applied Polymer Materials · 2022 · IF 4.855

Improved Wide-Temperature-Range Insulation Properties of Block Polypropylene by UV-Irradiated Cografting of Maleic Anhydride and 4-tert-Butylstyrene

Xu Yang,Hong Zhao,Chunyang Li,Xindong Zhao,Jiaming Yang,Xuan Wang

Polypropylene (PP), as a recyclable thermoplastic polymer, is a promising insulating material for application as an environmentally friendly insulation layer in high-voltage-direct-current (HVDC) cables. However, the lack of toughness and the poor wide-temperature-range electrical properties under a DC electric field seriously restrict its development and application. Herein, a block polypropylene with a low elastic modulus is selected and grafted with organic molecules of maleic anhydride (MAH) and 4-tert-butylstyrene (St*) as a masterbatch (PP-g-(St*-co-MAH)) by an ultraviolet-irradiated radical reaction. The modified b-PP with different grafting contents was prepared by diluting the masterbatch through melt blending, and their DC electrical properties at a wide temperature range of 40–100 °C were tested. The results indicate that the introduction of a comonomer St* significantly improves the grafting rate of MAH and suppresses the degradation of PP chains during the grafting reaction; thus, the PP-g-(St*-co-MAH) possesses improved thermogravimetric performance and maintains the original mechanical properties and workability. The grafted functional groups introduce deep charge traps into the matrix and thus effectively suppress the space charge injection and accumulation, significantly reduce the conductivity, and enhance the breakdown strength of PP at wide temperature ranges. Among the tested materials, the PP grafted with 0.57 wt % St*-co-MAH exhibits the best electrical properties, while inadequate or excessive grafting content of St*-co-MAH relatively weakens the positive effects of grafting modification. The mechanism is analyzed based on calculation of the trap level and the three-dimensional (3D) electric potential.

CAS / MDL: 108-31-6
研究领域: 材料科学 · 电气工程
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FUEL · 2025 · IF 7.5

Highly para-selective alkylation of phenol with alcohols over MgO doped Hβ zeolite

Kande Liu,Sitan Wang,Lishan Zheng,Yuan Fang,Ranran Tao,Naiwang Liu,Fahai Cao,Xuan Meng,Li Shi

As a crucial fine chemical intermediate, the compound 4-TBP holds significant importance in both antioxidant synthesis and the production of various fine chemical products, including resins, flame retardants, surfactants, and ultraviolet absorbers. However, traditional catalysts employed in the production of 4-TBP are plagued by several drawbacks, such as equipment corrosion, environmental contamination, and inadequate thermal stability. In order to overcome these challenges, a series of Hβ-x% MgO catalysts with varying MgO loadings were successfully synthesized using the immersion method. These catalysts were comprehensively characterized through multiple analytical techniques, including XRD, FT-IR, SEM, N 2 adsorption–desorption analysis, ICP-OES, Py-IR, 27 Al and 29 Si MAS NMR and CO 2 -TPD. These materials were subjected to catalytic evaluation through the phenol alkylation process using tert -butyl alcohol as the alkylating agent. Notably, the Hβ-2.5% MgO catalyst demonstrated superior performance, a remarkable selectivity of 88.2% toward 4-TBP production was attained, which represents a 14.7% improvement over the unmodified Hβ zeolite. The study scope was expanded to incorporate methanol as an alkylation agent, consistent reaction rules were observed, which contributes significantly to the understanding of alcohol-mediated phenol alkylation studies.

CAS / MDL: 108-95-2 67-56-1 75-65-0
研究领域: 化学工程 · 催化科学
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Food Analytical Methods · 2013 ·Vol. 7 ·期 7 ·1381-1386 · IF 1.969

Graphene Reinforced Hollow Fiber Liquid-Phase Microextraction Combined with HPLC for the Determination of Bisphenol A and 4-Tert-Butylphenol in Bottled Juice

Ma Xiaoxing,Wang Juntao,Wu Qiuhua,Wang Chun,Wang Zhi

A new analytical method by graphene-reinforced hollow fiber liquid-phase microextraction combined with high-performance liquid chromatography fluorescence detection was developed for the determination of bisphenol A and 4- tert -butylphenol in bottled juices. Several important experimental parameters were studied to get optimal extraction conditions for the analytes. Under the optimized conditions, the method showed a good performance having a linear response in the range from 0.05 to 10.0 ng mL −1 with the correlation coefficients ( r ) of 0.9965–0.9994 and limits of detection of 0.01 ng mL −1 . The relative standard deviations were in the range from 6.4 to 7.2 % at the spiked concentration of 1.0 ng mL −1 . The method combines the high-adsorption capacity of graphene and the excellent clean-up performance of hollow fiber liquid-phase microextraction and has been successfully applied to the analysis of the analytes in bottled juice samples.

CAS / MDL: 80-05-7 98-54-4
研究领域: 分析化学 · 环境科学
✓ 已验证 产品关联 DOI 高影响因子
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CHINESE CHEMICAL LETTERS · 2022 · IF 8.455

Effect of poly(4‑tert-butylstyrene) block length on the microphase structure of poly(ethylene oxide)-b-poly(4-vinylbenzyl chloride)-b-poly(4‑tert-butylstyrene) triblock terpolymers

Kun An,Jia Gao,Yihang Chen,Jingjing Nie,Yongjin Li,Junting Xu,Binyang Du

A series of linear poly(ethylene oxide)- b -poly(4-vinylbenzyl chloride)- b -poly(4‑ ter t-butylstyrene) (PEO 113 - b -PVBC 130 - b -P t BS x or E 113 V 130 T x ) triblock terpolymers with various lengths x (=20, 33, 66, 104, 215) of P t BS block were synthesized via a two-step reversible addition-fragmentation chain transfer (RAFT) polymerization. The E 113 V 130 T x triblock terpolymers were non-crystalline because the PVBC and P t BS blocks strongly hindered the crystallization of PEO block. The effects of P t BS block length x on the phase structures of E 113 V 130 T x triblock terpolymers were investigated by combined techniques of small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM). It was found that with increasing x from 20 to 215, the phase structure of E 113 V 130 T x triblock terpolymers became more ordered and changed from disordered structure , hexagonally-packed cylinder (HEX), hexagonally perforated layer (HPL), to lamellar (LAM) phase structures. Temperature-variable SAXS measurements showed that the HEX, HPL and LAM phase structures obtained for E 113 V 130 T 66 , E 113 V 130 T 104 and E 113 V 130 T 215 by thermal annealing, respectively, were thermodynamically stable in the temperature range of 30–170 °C.

研究领域: 材料科学 · 高分子化学
✓ 已验证 DOI 高影响因子
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MARINE BIOTECHNOLOGY · 2024 · IF 2.6

Alleviating Coral Thermal Stress via Inoculation with Quorum Quenching Bacteria

Yang Qingsong,Yang Bing,Yang Bin,Zhang Wenqian,Tang Xiaoyu,Sun Huiming,Zhang Yanying,Li Jie,Ling Juan,Dong Junde

In the background of global warming, coral bleaching induced by elevated seawater temperature is the primary cause of coral reef degradation. Coral microbiome engineering using the beneficial microorganisms for corals (BMCs) has become a hot spot in the field of coral reef conservation and restoration. Investigating the potential of alleviating thermal stress by quorum quenching (QQ) bacteria may provide more tools for coral microbial engineering remediation. In this study, QQ bacteria strain Pseudoalteromonas piscicida SCSIO 43740 was screened among 75 coral-derived bacterial strains, and its quorum sensing inhibitor (QSI) compound was isolated and identified as 2,4-di-tert-butylphenol (2,4-DTBP). Then, the thermal stress alleviating potential of QQ bacteria on coral Pocillopora damicornis was tested by a 30-day controlled experiment with three different treatments: control group (Con: 29 °C), high temperature group (HT: 31 °C), and the group of high temperature with QQ bacteria inoculation (HTQQ: 31 °C + QQ bacteria). The results showed that QQ bacteria SCSIO 43740 inoculation can significantly mitigate the loss of symbiotic algae and impairment of photosynthesis efficiency of coral P. damicornis under thermal stress. Significant difference in superoxide dismutase (SOD) and catalase (CAT) enzyme activities between HT and HTQQ was not observed. In addition, QQ bacteria inoculation suppressed the coral microbial community beta-dispersion and improved the stability of microbial co-occurrence network under thermal stress. It was suggested that QQ bacteria inoculation can alleviate coral thermal stress via reshaping microbial interaction and maintain community stability of coral microbiome. This study provided new evidence for the probiotic function of QQ bacteria in corals, which shedding light on the development of new microbiological tools for coral reef conservation.

CAS / MDL: 3658-77-3
研究领域: 海洋生物学 · 微生物学 · 生态修复
✓ 已验证 产品关联 DOI PubMed 高影响因子
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KOREA-AUSTRALIA RHEOLOGY JOURNAL · 2024 · IF 2.2

Flow-induced demixing of polyisoprene/poly(4-tert butyl styrene) with high dynamic contrast

Hong Zonghao,Wu Shilong,Chen Quan

This study places a focus on flow-induced demixing of polyisoprene (PI) and poly(4-tert butyl styrene) (PtBS) polymer blends with high dynamic contrast. The rheological response is governed by the more immobilized PtBS chains. In contrast, the dielectric response at low frequency reflects exclusively the normal mode of PI chains having type-A dipole parallel along the chain backbone. These features enable selective detection of the component dynamics of PtBS or PI chains under either the small amplitude oscillatory shear or the nonlinear steady shear through a combination of rheological and dielectric techniques. We find the Cox–Merz rule fails significantly for the PtBS/PI blends, which is attributed to flow-induced demixing when the shear rate is higher than the relaxation rate of PtBS chains and lower than that of PI chains. The flow-induced demixing is further supported by varying the molecular parameters of PtBS, copolymerizing PtBS with polystyrene, as well as by the rheo-dielectric measurements that show a broadening of the PI relaxation mode distribution. This demixing could be partly driven by the increased conformational entropy of the PI chains after segregation from the surrounding restrictive PtBS chains. Graphical abstract

CAS / MDL: 100-42-5 1746-23-2
研究领域: 高分子科学 · 材料科学 · 物理化学
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