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Cover Image, Volume 39, Issue 2
Journal of Computational Chemistry ( IF 3 ) Pub Date : 2017-11-20 , DOI: 10.1002/jcc.25116


Although Cisplatin has been used in the treatment of cancer for over 30 years, low bioavailability and poor solubility have hindered its affectivity. The use of nanomaterials for efficient delivery of the drug to a target molecule could mitigate these limitations. Given its square planar geometry and low water solubility, Massimiliano Bartolomei and colleagues test the use graphene nano structures to effectively adsorb Cisplatin. In the article on page 71, first‐principles calculations are used to investigate noncovalent interactions between the Cisplatin drug and graphene prototypes. These interactions can lead to a strong physio adsorption of the anticancer molecule on graphene‐based supports with large sp2 areas on the basal plane. (DOI: 10.1002/jcc.24920)
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中文翻译:

封面图片,第39卷,第2期

尽管顺铂已用于治疗癌症超过30年,但生物利用度低和溶解度差阻碍了它的有效性。使用纳米材料有效地将药物递送至靶分子可以减轻这些局限性。鉴于其正方形的平面几何形状和低水溶性,Massimiliano Bartolomei及其同事测试了使用石墨烯纳米结构有效吸附顺铂的方法。在第71页的文章中,第一性原理计算用于研究顺铂药物与石墨烯原型之间的非共价相互作用。这些相互作用可导致抗癌分子在石墨烯基支撑物上具有强烈的生理吸附,而石墨烯基支撑物在基面上具有较大的sp 2面积。(DOI:10.1002 / jcc.24920)
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更新日期:2017-11-20
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