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排序方式: 共有1183条查询结果,搜索用时 31 毫秒
1.
Molecularly imprinted polymer (MIP) computational design is expected to become a routine technique prior to synthesis to produce polymers with high affinity and selectivity towards target molecules. Furthermore, using these simulations reduces the cost of optimizing polymerization composition. There are several computational methods used in MIP fabrication and each requires a comprehensive study in order to select a process with results that are most similar to properties exhibited by polymers synthesized through laboratory experiments. Until now, no review has linked computational strategies with experimental results, which are needed to determine the method that is most appropriate for use in designing MIP with high molecular recognition. This review will present an update of the computational approaches started from 2016 until now on quantum mechanics, molecular mechanics and molecular dynamics that have been widely used. It will also discuss the linear correlation between computational results and the polymer performance tests through laboratory experiments to examine to what extent these methods can be relied upon to obtain polymers with high molecular recognition. Based on the literature search, density functional theory (DFT) with various hybrid functions and basis sets is most often used as a theoretical method to provide a shorter MIP manufacturing process as well as good analytical performance as recognition material. 相似文献
2.
Mejía Hugo Fernando Giraldo Jiménez-Piqué Emilio Valdés Matías Procaccini Raúl Pellice Sergio 《Journal of Solid State Electrochemistry》2020,24(10):2451-2460
Journal of Solid State Electrochemistry - A novel material was developed using sol-gel chemistry and an environmental-friendly grafting process of clay nanoparticles. In a previous work of our... 相似文献
3.
D. Amutha Rani Y. Yamamoto S. Mohri M. Sivakumar Y. Tsujita H. Yoshimizu 《Journal of Polymer Science.Polymer Physics》2003,41(3):269-273
In this study, a novel stepwise extraction method has been examined. The guest molecules housed between the helices of the clathrate δ form of syndiotactic polystyrene can be removed completely with this method. A systematic study of the preparation of a solvent‐free mesophase (emptied clathrate) membrane, its helical and residual solvent contents, and its structural transformations has been performed. In this first attempt, an enhancement in the TTGG helical content has been observed in the extracted membrane, and a conceptual mechanism is proposed. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 269–273, 2003 相似文献
4.
S. Mohri D. Amutha Rani Y. Yamamoto Y. Tsujita H. Yoshimizu 《Journal of Polymer Science.Polymer Physics》2004,42(2):238-245
Syndiotactic polystyrene (sPS) has various crystalline forms such as α, β, γ, and δ forms, and a mesophase depending on the preparation method. In this study, we focused on the mesophase with the molecular cavity of sPS, which is obtained by step‐wise extraction of the guest molecules from the sPS δ form. To prepare the mesophase containing different shapes and sizes of the cavity, two kinds of the sPS δ form membrane cast from either toluene or chloroform solution were first prepared and then the guest molecules were removed by a step‐wise extraction method using acetone and methanol. We could succeed in the preparation of two kinds of mesophase with different shapes and sizes of the molecular cavity. Either toluene or chloroform vapor sorption to the sPS mesophase membranes was examined at 25 °C. Sorption analysis indicates that the mesophase with large molecular cavities can mainly sorb large molecules; on the other hand, the mesophase with small cavities can sorb only the small molecules, and is unable to sorb a large amount of large molecule because the cavity was too small to sorb the large molecules. Therefore, the sPS mesophase membrane has sorption selectivity based on the size of the molecular cavity. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 238–245, 2004 相似文献
5.
Mustafa Çelebier Ertan Şahin Nilgün Ancın Nurşen Altuntaş Öztaş Selma Gül Öztaş 《应用有机金属化学》2007,21(10):viii-viii
The article referenced above was first published online on 30 August 2007 with incorrect pagination; the pagination has now been corrected online and in print. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
6.
Md. Nur Alam Per B. Zetterlund Masayoshi Okubo 《Journal of polymer science. Part A, Polymer chemistry》2007,45(21):4995-5004
Bimolecular termination in nitroxide‐mediated radical polymerization in miniemulsion has been investigated through the heating of a polystyrene–2,2,6,6‐tetramethylpiperidinyl‐1‐oxy macroinitiator and its 4‐hydroxy‐2,2,6,6‐tetramethylpiperidinyl‐1‐oxy analogue in an aqueous toluene dispersion with sodium dodecyl benzenesulfonate as a surfactant at 125 °C. The level of bimolecular termination by combination, evaluated from the high‐molecular‐weight shoulder, was higher in miniemulsion than in solution and increased with decreasing particle size. Quantitative analysis revealed that these results cannot be rationalized solely by nitroxide partitioning to the aqueous phase. The results are explained by an interface effect, by which nitroxide is adsorbed or located at the aqueous–organic interface. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4995–5004, 2007 相似文献
7.
Mat Rasol Awang Hassan Hamdani Mutaat Mohd. Shukri Mahmud Wan Badrin Wan Husain Tajuddin Osman Khomsaton Abu Bakar Asmahwati Kassim Zal U''yun Wan Mahmud Ishak ManafTamikazu Kume Shoji Hashimoto 《Radiation Physics and Chemistry》1993,42(4-6):611-616
In solid state fermentation, Pleurotus sajor-caju has been found to be able to degrade at least 30% oil palm empty Fruit Bunch (EFB) fibre leaving 70 % useful materials. Conditions under which fermentation carried out were investigated. It was found that, in the temperature range between 25– 28 °C, relative ph between 6–8, moisture between 60–70 % and medium composition of CaCO3: rice bran 2 %: 5 % were the optimum conditions. The results showed in fermented products that, there were substantial reduction in cellulosic component such as Crude Fiber (CF, 18 %); Acid Detergent Fibre (ADF, 45 %), Neutral Detergent Fibre (NDF, 61 %) and Acid Detergent Lignin (ADL, 14 %). However, Crude Protein (CP, 10%) increased resulted from single cell protein enrichment of mycelial microbial mass. The mass reductions of substrate in fermentation process corresponds to the CO2 released during fermentation. Hence, attributable to the decreased in content of CF, ADF, NDF, and ADL. The digestibility study has also been carried out to determine the useful level of this product to ruminant. Aflatoxin content was detected low in both the initial substrates and products. Based on nutritional value and low content of aflatoxin, the product is useful as a source of roughage to ruminant. 相似文献
8.
V. Yu. Mat’ev 《Technical Physics》2003,48(3):303-310
The distribution of the two-dimensional gas velocity inside ion-irradiated laser cells is considered for low ion energy deposits into the gas. It is shown that, if the energy deposit is smoothly nonuniform, the twodimensional motion has two quasi-one-dimensional components: the longitudinal gas velocity is practically uniform across the cell and depends on the transversely averaged energy deposit, while the transverse velocity component depends on the difference between the local energy deposit and energy deposit averaged over the transverse direction. 相似文献
9.
B. Vizoso I. R. Matías M. López-Amo M. A. Muriel J. M. López-Higuera 《Optical and Quantum Electronics》1995,27(10):847-857
The design of a double-parallel amplified recirculating optical delay line utilizing an erbium-doped fibre amplifier for a fibre optical bus is described. This structure is used for amplifying, equalizing and filtering multicarrier signals coming from optoelectronic units attached to fibre couplers. The use of this structure for a hybrid multimode-singlemode fibre bus that includes optoelectronic units for sensors is also demonstrated. 相似文献
10.
Prakash O Kaur H Batra H Rani N Singh SP Moriarty RM 《The Journal of organic chemistry》2001,66(6):2019-2023
The combination reagent (dichloroiodo)benzene and lead(II) thiocyanate in dichloromethane effects oxidation of various enol silyl ethers, ketene silyl acetals, and beta-dicarbonyl compounds, thereby providing an efficient and convenient method for alpha-thiocyanation of carbonyl and beta-dicarbonyl compounds. 相似文献