Negative effects of intra-molecular hydrogen securities with the balance of one’s radicals

Negative effects of intra-molecular hydrogen securities with the balance of one’s radicals

Considering that hydrogen bonds play an important role in the stability of the studied parent phenolic compounds and their corresponding hydrogen atom-abstracted radicals, we comparably calculated hydrogen bonds between the phenol-O • and the meta OH of both the radicals and their parent molecules. The energies of the optimized 7 parent molecules (Fig. A in S1 File) with hydrogen bond(s) between the phenol-OH and the meta OH are reduced by 3.1–8.7 kcal/mol relative to those of 7 parent molecules without hydrogen bond(s) between the phenol-OH and the meta OH. The corresponding radicals derived from 7 parent compounds display that a 4-O • ···H-O-3 hydrogen bond is formed between the 4-O • center and its neighboring OH group (Fig. 1), demonstrating an important contribution to the stability of the radicals. The energy difference (Fig. 2) of the radicals optimized at the B3LYP/6-311++G(d,p) level shows that among 4 different reaction conditions, the relative energies of the 4-O • centers forming a hydrogen bond with the meta OH are less than those of the 4-O • centers without any hydrogen bond. This supported hydrogen bond(s) could help to stabilize these radicals and be beneficial to the radical scavenging capacity of the parent molecules. Thus, in comparison to vanillic acid (02), an O-H···O hydrogen bond between the O • center and the meta OH in protocatechuic acid (10) was formed, thereby to stabilize the corresponding phenoxy radical, which could partly explain why the former has a low radical scavenging activity (pICfifty = 2.44) relative to the latter (pIC50 = 4.25). More importantly, the largest energy differences between the radicals with hydrogen bonds and without hydrogen bonds derived from one same compound were found in the gas phase, whereas the smallest ones in water (Fig. 2). We speculated that water molecules are likely to form strong hydrogen bonds with the corresponding 4-O • , thereby to conductively stabilize the corresponding radicals.

(left: a great hydrogen bond is created between the cuatro-O • cardio therefore the meta OH. right: zero hydrogen thread is formed amongst the 4-O • center in addition to meta OH.)

Area of the purpose associated with the data would be to speak about the new connections away from family relations relationship and you will negative lifetime events having depressive periods among Chinese teens.


A combination-sectional study of 3081 secondary school people was presented inside the Ganzhou Area, Jiangxi Province, Asia. Children was in fact requested accomplish forms from friends relationships, bad lifestyle incidents, and you can depressive episodes. A mediation analysis was accomplished playing with a multiple regression study plus the Process macro strategy.


Of the many professionals, 19.9% stated experience depressive symptoms. The new frequency away from depressive symptoms are thirteen.0% and you will 31.2% from inside the players with an effective and you can bad adult relationship, while the frequency regarding depressive attacks is 11.4% and you will 31.9% for the players which have closed and you can alienated adult-kid relationship, respectively. Adult relationships, parental-kid relationship, and you may bad existence occurrences was indeed definitely correlated having depressive episodes. The result from adult dating to your depressive periods are completely mediated by bad life occurrences (Perception = 0.052, 95% CI = [0.023, 0.082]), as effect of mother-kid dating towards adolescent depressive symptoms is actually partially mediated of the bad lives incidents (Feeling = 0.075, 95% CI = [0.048, 0.104]).


Our show exhibited a top frequency out-of depressive episodes when you look at the Chinese kids. Poor household members relationships have the potential to improve the risk out of depressive symptoms, and additionally they can impact depressive symptoms because of negative existence situations.

Citation: Ren Z, Zhou Grams, Wang Q, Xiong W, Ma J, The guy Yards, ainsi que al. (2019) Connections away from family unit members relationship and you will bad lifetime situations which have depressive attacks among Chinese teens: A corner-sectional analysis. PLoS One fourteen(7): e0219939.