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JOURNAL OF APPLIED POLYMER SCIENCE · 2019 ·Vol. 136 ·期 47 ·48208 · IF 2.188

Cationic organofluorosilicone as deepening agent in the application of dyed polyester fabric

Chengbing Yu,Yilin Lu,Fangfang Wu

Polyester fabrics are usually difficult in dyeing deeply due to their dense structure and high surface refractive index, and deepening finishing is an effective method to obtain dark polyester fabrics. In this article, octamethyl cyclotetrasiloxane (D 4 ), 1,3,5-tris(3,3,3-trifluoropropyl)-methylcyclotrisiloxane (D 3 F), and silane coupling agent KH-902 were used as main monomers to synthesize organic fluorosilicone, and further to prepare cationic organofluorosilicone (COFS) and COFS darkening agent. FTIR and 1 H-NMR were used to characterize the structure of synthetic products. The finishing experiments confirmed that COFS darkening agent had good shade darkening on dyed polyester fabrics with small color change. The optimum conditions of deepening finishing were COFS darkening agent concentration of 20%, the pick-up of 85%, and the curing temperature of 180 °C. After finishing, the dyed fabric had no lowering effect on color fastness, all at grade 4 or above. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136 , 48208.

研究领域: 材料科学 · 纺织工程 · 有机化学
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Particuology · 2015 · IF 2.11

A facile method for preparing thiocyanato-functionalized porous silica nanospheres

Jie Li,Lianxi Chen,Xi Li,Chaocan Zhang,Zhenhui Liu

In this study, we present a facile method to prepare thiocyanato-functionalized porous silica nanospheres. Thiocyanato functionalized silica shells were coated on positively charged cetyltrimethylammonium bromide (CTAB) micelles via hydrolysis and condensation of (3-thiocyanatopropyl)triethoxysilane (TCPTES), the CTAB cores were removed subsequently to form thiocyanato-functionalized porous silica nanospheres. We demonstrate that the contents of the thiocyanato groups within the functionalized porous silica nanosphere frameworks gradually diminished as a function of hydrothermal treatment time at 100   °C until complete removal, confirmed by TGA and FTIR spectra. The data indicate that extended operation at relatively elevated temperatures may lead to the decomposition of the thiocyanato functional groups. In addition, at a lower CTAB concentration (0.0009   M), non-porous thiocyanato functionalized silica nanospheres were formed. However, increasing the CTAB concentration to 0.01   M resulted in porous nanospheres inferring that a CTAB concentration threshold is needed to form thiocyanato-functionalized porous silica nanospheres.

研究领域: 材料科学 · 化学工程
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Catalysts · 2022 ·Vol. 12 ·期 11 ·1296 · IF 4.501

The Activity of Ultrafine Cu Clusters Encapsulated in Nano-Zeolite for Selective Hydrogenation of CO2 to Methanol

Ruiqin Ding,Guangying Fu,Songxia Wang,Yang Yang,Qiaolin Lang,Haonuan Zhao,Xiaobo Yang,Valentin Valtchev

Narrowly dispersed ultrafine Cu clusters of sizes smaller than 2.0 nm have been encapsulated in nanosized silicalite-1 zeolite through direct crystallization in the presence of Cu(en)22+complex ions as the metal precursor. The growing silicalite-1 crystals are rich in vacancy defects and connectivity defects on the grain boundaries, where the terminating silanols promote the decomposition of Cu(en)22+, thus the deposition of ultrafine Cu species. The obtained composite material as a model catalyst is active for CO2activation and hydrogenation to methanol. The preliminary in situ FTIR study recognizes a series of surface-adsorbed carbonyl, formyl, carbonate, and formate species when the material is exposed to CO2and H2. Among others, the adsorbed formate decays most rapidly upon cofeeding CO2and H2, implying that the most probable pathway toward methanol formation over this material is via the formate-mediated mechanism.Keywords:CO2to methanol;direct crystallization of Cu@nano-zeolite;ultrafine Cu cluster;in situ FTIR;reaction intermediates

CAS / MDL: 10031-43-3
研究领域: 催化化学 · 材料科学 · 环境科学
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Defence Technology · 2025 · IF 5.9

High-precision quantitative analysis of 3-nitro-1,2,4-triazol-5-one (NTO) concentration based on ATR-FTIR spectroscopy and machine learning

Zhe Zhang,Zhuowei Sun,Haoming Zou,Xijuan Lv,Ziyang Guo,Shuai Zhao,Qinghai Shu

3-Nitro-1,2,4-triazol-5-one (NTO) is a typical high-energy, low-sensitivity explosive, and accurate concentration monitoring is critical for crystallization process control. In this study, a high-precision quantitative analytical model for NTO concentration in ethanol solutions was developed by integrating real-time ATR-FTIR spectroscopy with chemometric and machine learning techniques. Dynamic spectral data were obtained by designing multi-concentration gradient heating-cooling cycle experiments, abnormal samples were eliminated using the isolation forest algorithm, and the effects of various preprocessing methods on model performance were systematically evaluated. The results show that partial least squares regression (PLSR) exhibits superior generalization ability compared to other models. Vibrational bands corresponding to C=O and –NO 2 were identified as key predictors for concentration estimation. This work provides an efficient and reliable solution for real-time concentration monitoring during NTO crystallization and holds significant potential for process analytical applications in energetic material manufacturing.

CAS / MDL: 67-56-1
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ENVIRONMENTAL POLLUTION · 2020 · IF 6.793

Separation and identification of microplastics in marine organisms by TGA-FTIR-GC/MS: A case study of mussels from coastal China

Yi Liu,Ruojia Li,Jianping Yu,Fengli Ni,Yingfei Sheng,Austin Scircle,James V. Cizdziel,Ying Zhou

Microplastics are ubiquitous in the marine environment but characterizing them in marine organisms is challenging. Herein we describe a method to detect, identify, and quantify microplastics in marine mussels ( Mytilus edulis ) using thermal gravimetric analysis – Fourier Transform infrared spectroscopy – gas chromatography mass spectrometry (TGA-FTIR-GC/MS) after extracting and isolating the microplastics using chemical digestion, density separation, and filtration. Combining the three instrumental techniques adds discriminatory power as temperature profiles, chromatograms, and vibrational and mass spectra differ among common plastics. First, we tested several digestion schemes after spiking the mussels with plastics commonly found in the marine environment, including polyethylene (PE), polystyrene (PS), polypropylene (PP) and polyvinyl chloride (PVC). KOH (10%, w/v) was the most suitable reagent, providing good recoveries (>97%) without degrading the microplastics. We show that the technique TGA-FTIR-GC/MS can be optimized to readily determine both the type (polymer) and amount (mass) of microplastics in the sample. Applied to 100 mussels from each of six locations along the coast of China, we found an average of 0.58 mg of plastic per kg of tissue (range 0.16–1.71 mg/kg), with PE being the most abundant type of plastic measured. Among the coastal cities, mussels from Dalian had the highest microplastic content. Overall, we demonstrate that the method is a powerful technique to quantify masses of microplastics in marine mussels, a species commonly used as a bioindicator of pollution, and may be applied to other biota as well.

研究领域: 环境科学 · 海洋生物学
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SCIENCE & JUSTICE · 2013 · IF 1.151

Systematical method for polyacrylamide and residual acrylamide detection in cosmetic surgery products and example application

Yuanfeng Wang,Ran Du,Tianshui Yu

Introduction In this paper, the authors presented a case of acrylamide poisoning in a middle-aged woman who had underwent unsuccessful cosmetic surgery six years earlier. The victim was told that the product that had been injected into her face was Restylane®, which mainly contained sodium hyaluronate and was the first and only Food and Drug Administration (FDA)-approved dermal filler for lip enhancement in the USA for more than 20   years. Widespread facial infections occurred several years post-injection; finally, the victim had to undergo removal surgery. Acrylamide poisoning was strongly suspected based on the victim's clinical manifestation. The product that had been injected into the victim's face was probably polyacrylamide hydrogel-based product, which had been prohibited by the State Food and Drug Administration (SFDA) in China in 2006. To confirm this suspicion, a systematical method was established to differentiate varieties of cosmetic surgery products and identify residential acrylamide. Methods The removed objects, original products and a certified reference sample of Restylane® were collected for examination. A direct microscopic examination was applied as a rapid screening method. Fourier transform infrared (FTIR) microspectroscopy analysis was subsequently performed to distinguish the main components from each sample. Automated solid phase extraction , ultra high performance liquid chromatography (SPE UHPLC) analysis was ultimately utilised and optimised to detect the residual acrylamide. Chromatographic separation was achieved on an ACQUITY UHPLC HSS T3 column. The mobile phase consisted of 0.01% aqueous formic acid solution and acetonitrile . The tunable UV (TUV) detection wavelength was at 202   nm. Results The microscopic examination indicated that different samples had different morphological characteristics , depending on their main components. The FTIR spectrum showed that different polymers could be distinguished according to the C O stretching vibration (1655   cm −   1 ), N H bending vibration (1540   cm −   1 ) and C O stretching vibration (1078 and 1045   cm −   1 ). The UHPLC results demonstrated that the calibration curve was linear in the range of 0.5–20.0   μg/mL, with a correlation coefficient of 0.999. The average recoveries of the method were 99–107% with an RSD of 1.6–6.3%. The detection limit was 0.1   μg/mL (S/N   =   3). The analytical time was 6   min per sample. Acrylamide was detected in the allegedly Restylane® injection. Conclusions This systematical method provides a rapid, accurate and sensitive determination of polyacrylamide and residual acrylamide. The microscopic and FTIR spectroscopic examinations help to verify the existence of polyacrylamide quickly and easily. The optimised SPE UHPLC-TUV method offers a simpler and more sensitive approach to confirm the amount of acrylamide, comparing to the methods in the literature.

CAS / MDL: 79-39-0
研究领域: 医学毒理学 · 分析化学 · 整形外科
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2023 · IF 8.2

Sulfonic acid functionalized β zeolite as efficient bifunctional solid acid catalysts for the synthesis of 5-hydroxymethylfurfural from cellulose

Xinyi Xing,Xian Shi,Mengya Ruan,Qichun Wei,Ying Guan,Hui Gao,Siquan Xu

Introduction of the sulfonic acid group into H-β zeolite to prepare β-SO 3 H bifunctional catalysts for the efficient synthesis of 5-hydroxymethylfurfural (HMF) from cellulose . Catalysts characterization, such as XRD, ICP-OES, SEM (Mapping), FTIR, XPS , N 2 adsorption-desorption isotherm, NH 3 -TPD, Py-FTIR demonstrate the sulfonic acid group was successfully grafted onto the β zeolite. A superior HMF yield (59.4 %) and cellulose conversion (89.4 %) was obtained in the H 2 O(NaCl)/THF biphasic system under 200 °C for 3 h with β-SO 3 H(3) zeolite as catalyst. More valuable, β-SO 3 H(3) zeolite converts other sugars and obtains ideal HMF yield, including fructose (95.5 %), glucose (86.5 %), sucrose (76.8 %), maltose (71.5 %), cellobiose (67.0 %), starch (68.1 %), glucan (64.4 %) and also converts plant material (25.1 % for moso bamboo and 18.7 % for wheat straw) with great HMF yield. β-SO 3 H(3) zeolite catalyst keeps an appreciable recyclability after 5 cycles. Moreover, in the presence of β-SO 3 H(3) zeolite catalyst, the by-products during the production of HMF from cellulose were detected, and the possible conversion pathway of cellulose to HMF was proposed. The β-SO 3 H bifunctional catalyst has excellent potential for the biorefinery of high value platform compound from carbohydrates.

研究领域: 催化 · 化学工程 · 材料科学 · 生物化学 · 可再生能源
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PROGRESS IN ORGANIC COATINGS · 2022 · IF 6.206

Preparation of a novel IPDI/PUF@CeO2 bi-functional microcapsules and its improvement for the self-healing and anti-corrosion performance in epoxy coatings

Shuhui Liu,Hui Xie,Qingmin Cao,Yujie Ning,Yihan Song,Chengdong Zhang,Bin Liu

This research aims to improve the protective performance of coatings in harsh corrosive conditions by using functionalized self-healing microcapsules. CeO 2 /PUF MCs and PUF MCs were prepared via one-step emulsion polymerization . The microcapsules were implanted into epoxy coatings to investigate their self-healing performance. Multiple testing techniques, including SEM, FTIR, XRD , TGA , EIS , and NSS were used to characterize the morphology, crystal structure, chemical composition, thermal properties, and self-healing performance of the microcapsules and coatings. The experimental results indicated that the CeO 2 /PUF MCs had a spherical core-shell structure with a rough surface and an average diameter of 1583 nm. Meanwhile, the minimum corrosion products and the highest low-frequency impedance were found in CeO 2 /PUF MCs coating with artificial scratch, which demonstrated that the self-healing and anti-corrosion performance were significantly improved by the newly developed bi-functional microcapsules.

研究领域: 材料科学 · 涂层技术 · 腐蚀科学
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Polymer Chemistry · 2016 ·Vol. 8 ·期 5 ·865-878 · IF 5.687

Micro-dynamics mechanism of the phase transition behavior of poly(N-isopropylacrylamide-co-2-hydroxyethyl methacrylate) hydrogels revealed by two-dimensional correlation spectroscopy

Gehong Su,Tao Zhou,Xifei Liu,Yanan Ma

In this study, the micro-dynamics mechanism of the volume phase transition behavior of the poly(N-isopropylacrylamide-co-2-hydroxyethyl methacrylate) (PNIPAM-co-HEMA) hydrogel was investigated by temperature-dependent FTIR spectroscopy in combination with the perturbation correlation moving window (PCMW2D) technique and generalized two-dimensional correlation analysis. In conventional 1D FTIR spectra analysis, Boltzmann fitting curves showed that the volume phase transition temperature and the phase transition degree of the PNIPAM-co-HEMA hydrogel were lower than those of the pure PNIPAM hydrogel. They also showed that the PHEMA segments exhibit a similar “phase transition” behavior to the PNIPAM segments, which can be ascribed to the driving effect of the phase transition of PNIPAM segments. Furthermore, we found that the rate at which water molecules were expelled out of the gel structure during phase transition changed in an anti-S shape. PCMW2D spectra revealed that the phase transition can be divided into two processes (named I and II) upon heating, and further determined the temperature regions of processes I and II to be 21.8–31.4 °C and 31.4–36.5 °C, respectively. Finally, generalized 2D correlation analysis found that both processes I and II can be further divided into nine steps. From the deduced nine steps of process I, the significant role of PHEMA in the phase transition of PNIPAM segments was revealed. As for the deduced nine steps of process II, the driving effect of the phase transition of PNIPAM segments for PHEMA segments was confirmed.

研究领域: 材料科学 · 生物医学工程 · 高分子化学
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JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY · 2022 · IF 2.042

Synthesize and characterize of Fe3O4/zeolite 4A magnetic nanocomposite

Jun Cao,Qi Sun,Peng Wang,Jie Shen,Xue Dai

In order to solve the problem that separating zeolite 4A from solutions, we have synthesized Fe3O4/zeolite 4A magnetic nanocomposite by hydrothermal method. It is characterized by Transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared (FTIR), Vibrating Sample Magnetometer (VSM), scanning electron microscope (SEM) and Brunner-Emmet-teller (BET). The XRD result shows that Fe3O4/zeolite 4A magnetic nanocomposite has a good crystal structure. It also shows that Fe3O4/zeolite 4A magnetic nanocomposite contains two phases of zeolite 4A and Fe3O4 MNP. The optimal sample (Z-2) was judged by the calculation of crystallinity. The successful combination of zeolite 4A and Fe3O4 MNP was visually observed through SEM technology. The functional groups of Fe3O4/zeolite 4A magnetic nanocomposite were characterized by FTIR technology. The TEM result shows that some Fe3O4 MNPs enter zeolite 4A, which further clarifies the microstructure of Fe3O4/zeolite 4A magnetic nanocomposite. N2 adsorption-desorption technique confirms that Fe3O4/zeolite 4A magnetic nanocomposite SBET is 55.3374 m2/g and Dave is 9.7128 nm. VSM result shows that Fe3O4/zeolite 4A magnetic nanocomposite magnetization is 18.4534 emu/g. Simulation experiment shows that Fe3O4/zeolite 4A magnetic nanocomposite exhibit a fast response to an external magnetic field.

CAS / MDL: 1318-02-1 13517-24-3
研究领域: 材料科学 · 纳米技术 · 化学工程 · 磁性材料
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JOURNAL OF CATALYSIS · 2018 · IF 6.759

Catalytic oxidation of ethyl acetate over Ru–Cu bimetallic catalysts: Further insights into reaction mechanism via in situ FTIR and DFT studies

Xiaolong Liu,Qingzhen Han,Wenbo Shi,Cheng Zhang,Erwei Li,Tingyu Zhu

In this work, ruthenium-based bimetallic catalysts of 1Ru-5 M/TiO 2 (M = Co, Ce, Fe, Mn, Cu, Ni) were prepared and evaluated in ethyl acetate oxidation. It was found that 1Ru-5Cu/TiO 2 gave the highest catalytic activity. The influence of CuO content and the preparation method on the catalytic activity was also studied. 1Ru-5Cu/TiO 2 showed great catalytic stability in the on-stream reaction test. The influence of H 2 O on the catalytic activity is presented. The bimetallic catalyst 1Ru-5Cu/TiO 2 showed better catalytic performance than the monometallic catalysts 1Ru/TiO 2 and 5Cu/TiO 2 . XRD, TEM, HAADF-STEM, H 2 -TPR, and XPS characterizations were conducted, and the synergistic effect between Ru and Cu was well presented. In situ FTIR studies were also conducted, and the reaction intermediates were revealed on the catalyst surface. The theoretical calculations suggested that ethyl acetate is more easily adsorbed on the CuO surface, while it reacts more easily on the RuO 2 surface . Accordingly, a reaction mechanism for the catalytic oxidation of ethyl acetate over a Ru-Cu bimetallic catalyst is proposed.

研究领域: 催化化学 · 环境化学 · 表面科学 · 材料化学 · 物理化学
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FUEL · 2022 · IF 8.035

Research on the co-pyrolysis of coal slime and cellulose based on TG-FTIR-MS, artificial neural network, and principal component analysis

Zhanshi Ni,Haobo Bi,Chunlong Jiang,Hao Sun,Wenliang Zhou,Zhicong Qiu,Qizhao Lin

Faced with increasingly severe environmental and energy issues, the development and utilization of solid waste have become a trend. In this study, a thermogravimetric-Fourier infrared spectrometer-mass spectrometer (TG-FTIR-MS) was used to carry out the co-pyrolysis experiment of coal slime and cellulose. The samples with mass mixing ratios of 0:10, 1:9, 3:7, 5:5, 7:3, 9:1, and 10:0 were pyrolyzed in N 2 atmosphere. The percentages of mass loss during the pyrolysis of coal slime and cellulose were 15.69 and 94.28%, respectively. The addition of cellulose to the coal slime could significantly improve the pyrolysis performance of the sample. It was detected by FTIR that the pyrolysis of the blends mainly formed C=O-containing compounds. MS was used to monitor the ion current intensity of gaseous products of sample pyrolysis online. The average activation energy of the reaction between coal slime and cellulose calculated by the Kissinger-Akahira-Sunose method were 237.59 kJ/mol and 174.06 kJ/mol, respectively. The principal component 1 and principal component 2 dominated the co-pyrolysis process of coal slime and cellulose. The MAE, RMSE, and R 2 of the artificial neural network prediction model for predicting the pyrolysis process of the sample were 0.5249, 0.8244, and 0.9994, respectively. This research provided basic theory and data support for understanding the co-pyrolysis of coal slime and biomass.

研究领域: 能源化学 · 环境科学 · 热化学转化 · 可再生能源 · 固体废物利用
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