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61.
Abstract —Using semi-empirical analytic formulas for the transmitted and scattered ultraviolet spectral irradiance at the ground (Green, A. E. S., T. Sawada and E. P. Shettle, Photochem. Photobiol. 19 , 251–259, 1974), we calculate erythema dose rates and daily erythema doses. Results are illustrated graphically, and for the purpose of photobiological applications are given in terms of approximate analytic forms, with parameters presented in tabular form. The relative erythema data assembled by W. W. Coblentz and R. Stair (U.S. Bureau of Standards J. Res. 12 , 13–14, 1934), as fit by an analytic form, is taken as a standard spectrum in our calculations. Other forms of erythema spectra are also compared. 相似文献
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聚醚醚酮酮结晶度研究刘天西,王尚尔,张宏放,莫志深(中国科学院长春应用化学研究所高分子物理联合开放研究实验室长春130022)那辉,王军佐,吴忠文(吉林大学化学系长春)关键词聚醚醚酮酮,广角X射线衍射,结晶度新型特种工程塑料聚醚醚酮酮(PEEKK)具... 相似文献
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We herein report a denitrogenative palladium-catalyzed cascade for the modular and regioselective synthesis of polysubstituted fluorenes. Hydrazone facilitates the Pd(ii) to Pd(iv) oxidative addition in a Catellani pathway and is also the methylene synthon in the proposed reaction. Aryl iodides and 2-bromoarylaldehyde hydrazones undergo a norbornene-controlled tandem reaction sequence to give a broad scope of fluorenes in the presence of a palladium catalyst. The method described is scalable and adaptable to a three-component reaction with in situ generation of the hydrazone group. Preliminary mechanistic investigations have been conducted.Hydrazone assists Pd(ii)/(iv) oxidative addition and is the methylene synthon in a palladium-catalyzed, norbornene-mediated regioselective synthesis of fluorenes. 相似文献
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Yiming Mo Yanfei Guan Pritha Verma Jiang Guo Mike E. Fortunato Zhaohong Lu Connor W. Coley Klavs F. Jensen 《Chemical science》2021,12(4):1469
With recent advances in the computer-aided synthesis planning (CASP) powered by data science and machine learning, modern CASP programs can rapidly identify thousands of potential pathways for a given target molecule. However, the lack of a holistic pathway evaluation mechanism makes it challenging to systematically prioritize strategic pathways except for using some simple heuristics. Herein, we introduce a data-driven approach to evaluate the relative strategic levels of retrosynthesis pathways using a dynamic tree-structured long short-term memory (tree-LSTM) model. We first curated a retrosynthesis pathway database, containing 238k patent-extracted pathways along with ∼55 M artificial pathways generated from an open-source CASP program, ASKCOS. The tree-LSTM model was trained to differentiate patent-extracted and artificial pathways with the same target molecule in order to learn the strategic relationship among single-step reactions within the patent-extracted pathways. The model achieved a top-1 ranking accuracy of 79.1% to recognize patent-extracted pathways. In addition, the trained tree-LSTM model learned to encode pathway-level information into a representative latent vector, which can facilitate clustering similar pathways to help illustrate strategically diverse pathways generated from CASP programs.Tree-structured long short-term memory neural model learns to understand the retrosynthesis design strategies from patent-extracted retrosynthetic pathway data. 相似文献
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Protonation of acylferrocenes (FeCOR) in FSO3H-SO2CIF(SO2) solution was studied by PMR spectroscopy. The site of protonation is found to be at the carbonyl oxygen atom. Temperature dependent PMR spectra of protonated acylferrocenes FeCROH+ (R = CH3, C2H5, C6H5, OCH3) were observed indicating intermolecular hydrogen exchange with the acid solvent system. In addition the PMR spectra of acylferrocenes in FSO3 H-SO2 CIF(SO2) were found to be dependent upon the acid concentration. 相似文献
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In this paper, we give a construction of partial difference sets in p
2 x p
2 x ... x p
2using some finite local rings.Dedicated to Hanfried Lenz on the occasion of his 80th birthdayThe work of this paper was done when the authors visited the University of Hong Kong. 相似文献