下面是JACS审稿修改全记录：

2010.7.29  投稿到JACS

2010.8.19 第一次修改意见返回，四个审稿人，其中前两个审稿人建议小修改发表，后两个大修改后再审

2010.10.17第一次修改稿发出去（没办法，根据审稿人的意见又算了将近两个月）

2010.11.7第二次修改意见返回，第四审稿人完全同意，第三审稿人却认为我们的回复没有重视他的意见

2010.12.12第二次修改稿发出（又算了一个月，教训啊：审稿人的意见再怎么重视都不过分，谨记啊）

2011.1.6 第三次修改意见返回，（在经历了一个漫长的焦虑等待后忐忑的心总算有了点慰藉了，全是TOP5）

2011.1.9第三次修改稿发出

2011.1.10JACS接收

回顾整个拉锯战过程，我必须向这四位审稿人致以最崇高的敬意，他们都是这个领域最最顶尖的科学家（其中至少有三位可以确定是我推荐审稿人里的六位牛人中的，推荐审稿人也是一门学问，呵呵，要知道，我极不情愿把这些德高望重的牛人们与国内很多披着学术外衣的商人们放在一起，那样是对这些科学良知的人的亵渎），而我这个小菜鸟，能得到他们的指点，从而使得文章更加Perfect（尽管多算了好几个月，尽管提心吊胆战战兢兢了好几个月）。

以下是JACS的总的评审结论汇总：

以下是JACS的总的评审意见汇总：

审稿人一：

This paper reports the results of a density functional computational study of the mechanism of phosphate diester cleavage catalyzed by a dinuclear Zn(II) complex. These calculations use a polarizable continuum model to estimate solvation energies for the charged catalyst and reactants. I am not qualified to comment on the quality of the calculations. However, the computational modeling of this metal-ion complex catalyzed reaction presents a very difficult challenge, and I suspect that the author's apparent success is a significant achievement. In addition, the authors have an excellent understanding of earlier experimental studies on these metal ion complexcatalyzed reactions. The agreement between the calculated and observed barrier for the catalyzed cleavage of 2-hydroxypropyl-4-nitrophenyl phosphate is evidence that these calculations provide a true structure for the reaction transition state. In addition, the computational results provide an interesting structure for the Michaelis complex and insight into the reaction mechanism not obtained in experimental studies. This work will attract the attention of computational, organic and inorganic chemists interested in reaction mechanisms.

Publication in JACS is recommended, subject to the author's considerations of the following comments and questions.
 

审稿人二：

This manuscript reports a DFT computational study of the hydrolysis of the phosphodiester HpPNP by a binuclear zinc catalyst for which a series of physical organic experimental studies provided data suggestive of a concerted mechanism. The authors’ calculations support that conclusion, as well as the proposals regarding the protonation state of the active species. The abundance of experimental data make this a good system for a computational analysis, and the calculations reproduce the experimental results reasonably well. New insight comes from the nucleophile 18O KIE, which supports the idea that HpPNP binds to the catalyst with the nucleophile hydroxyl group coordinated to one of the zinc ions, and is subsequently deprotonated. This study thus gives a more concrete picture of the binding mode of the substrate to the catalyst than could be determined from experimental results. The binding mode of substrates to dinuclear metallophosphatases, and even to their small molecule model systems, remains an area of considerable uncertainty.

Publication is recommended after minor revisions are made.

审稿人三：

第一次审稿意见：