Computational Analysis of Structural Characteristics and Spectral Properties of the Non-Prodrug-Type Third-Generation Cephalosporins

YU De-guan; CHEN Xu-lei; WENG Yue-yue; LIAO Ying-yi; WANG Chao-jie

doi:10.3964/j.issn.1000-0593(2023)10-3211-12

[2] Nascimento P A D, Kogawa A C, Salgado H R N. Journal of AOAC International, 2021, 104(6): 1593.

[3] Joshi B D, Srivastava A, Tandon P, et al. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2018, 191: 249.

[4] Boettger J D, Kubicki J D. Journal of Chemical Information and Modeling, 2019, 59(11): 4663.

[5] Kostjukova L O, Leontieva S V, Kostjukov V V. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 249: 119302.

[7] Cheng L Y, Xia W, Zhang X, et al. Journal of Molecular Liquids, 2017, 248: 168.

[8] Dittrich B, Schürmann C, Christian B, et al. Zeitschrift für Kristallographie-Crystalline Materials, 2016, 231(12): 725.

[9] Chaudhary M K, Karthick T, Joshi B D, et al. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 246: 118976.

[10] Versporten A, Bruyndonckx R, Adriaenssens N, et al. Journal of Antimicrobial Chemotherapy, 2021, 76(Supplement_2): ii22.

[11] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 16, Revision B. 01. Gaussian, Inc., Wallingford CT, 2016.

[12] Teixeira F, Melo A, Cordeiro M N. The Journal of Chemical Physics, 2010, 133(11): 114109.

[13] Lu T, Chen F. Journal of Computational Chemistry, 2012, 33(5): 580.

[14] Yu J, Zhou Y, Tanaka I, et al. Bioinformatics, 2010, 26(1): 46.

[15] Miyamae A, Koda S, Morimoto Y. Chemical and Pharmaceutical Bulletin, 1986, 34(9): 3539.

[16] National Institute of Advanced Industrial Science and Technology (AIST), Japan. Spectral Database for Organic Compounds SDBS ［EB/OL］. ［2022-06-01］. https://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi.