Literature DB >> 15669847

A new polymorph of 5-fluorouracil found following computational crystal structure predictions.

Ashley T Hulme1, Sarah L Price, Derek A Tocher.   

Abstract

A new polymorph of 5-fluorouracil has been obtained following a manual polymorph screen inspired by a computational crystal structure prediction search. It corresponds to the structure that was predicted to be the global minimum in lattice energy. The difficulty of crystallizing this simple structure with a rational hydrogen-bonding motif can be rationalized from the differential solvation of the functional groups.

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Year:  2005        PMID： 15669847     DOI： 10.1021/ja044336a

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  9 in total

1.  The Potential Anticancer Activity of 5-Fluorouracil Loaded in Cellulose Fibers Isolated from Rice Straw.

Authors:  Mostafa Yusefi; Kamyar Shameli; Hossein Jahangirian; Sin-Yeang Teow; Hiroshi Umakoshi; Bahram Saleh; Roshanak Rafiee-Moghaddam; Thomas J Webster
Journal:  Int J Nanomedicine       Date:  2020-07-29

2.  Aloe vera induced biomimetic assemblage of nucleobase into nanosized particles.

Authors:  Arun Chauhan; Swaleha Zubair; Asif Sherwani; Mohammad Owais
Journal:  PLoS One       Date:  2012-03-05       Impact factor: 3.240

3.  Theoretical evaluation of the performance of IRMOFs and M-MOF-74 in the formation of 5-fluorouracil@MOF.

Authors:  Nailton M Rodrigues; João B L Martins
Journal:  RSC Adv       Date:  2021-09-20       Impact factor: 4.036

Review 4.  5-Fluorouracil: mechanisms of resistance and reversal strategies.

Authors:  Ning Zhang; Ying Yin; Sheng-Jie Xu; Wei-Shan Chen
Journal:  Molecules       Date:  2008-08-05       Impact factor: 4.411

Review 5.  The Role of Ionic Liquids in the Pharmaceutical Field: An Overview of Relevant Applications.

Authors:  Sónia N Pedro; Carmen S R Freire; Armando J D Silvestre; Mara G Freire
Journal:  Int J Mol Sci       Date:  2020-11-05       Impact factor: 5.923

6.  On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes by Diffusion NMR.

Authors:  Daria L Melnikova; Zilya F Badrieva; Mikhail A Kostin; Corina Maller; Monika Stas; Aneta Buczek; Malgorzata A Broda; Teobald Kupka; Anne-Marie Kelterer; Peter M Tolstoy; Vladimir D Skirda
Journal:  Molecules       Date:  2020-12-03       Impact factor: 4.411

7.  Ab initio determination of crystal stability of di-p-tolyl disulfide.

Authors:  Xuan Hao; Jinfeng Liu; Imran Ali; Hongyuan Luo; Yanqiang Han; Wenxin Hu; Jinyun Liu; Xiao He; Jinjin Li
Journal:  Sci Rep       Date:  2021-03-29       Impact factor: 4.379

8.  A new G-triplex-based strategy for sensitivity enhancement of the detection of endonuclease activity and inhibition.

Authors:  Congcong Gao; Baoquan Che; Hong Dai
Journal:  RSC Adv       Date:  2021-08-19       Impact factor: 4.036

9.  Combined Use of Structure Analysis, Studies of Molecular Association in Solution, and Molecular Modelling to Understand the Different Propensities of Dihydroxybenzoic Acids to Form Solid Phases.

Authors:  Aija Trimdale; Anatoly Mishnev; Agris Bērziņš
Journal:  Pharmaceutics       Date:  2021-05-16       Impact factor: 6.321
  9 in total

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