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Outcomes of intra-unit hydrogen bonds on balances of radicals

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Outcomes of intra-unit hydrogen bonds on balances of 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: an effective hydrogen bond is formed between your cuatro-O • cardiovascular system as well as the meta OH. right: zero hydrogen thread is made between the cuatro-O • center in addition to meta OH.)

The main goal associated with the investigation were to discuss brand new connections regarding family dating and negative lifestyle events which have depressive periods one of Chinese teens.


A corner-sectional examination of 3081 secondary school people are conducted inside the Ganzhou Town, Jiangxi Province, China. Pupils was questioned to do questionnaires away from family relations relationships, bad existence situations, and you may depressive periods. A good mediation investigation is actually carried out having fun with a simultaneous regression data together with Process macro means.


Of all the players, 19.9% claimed experience depressive symptoms. The latest frequency out of depressive symptoms was thirteen.0% and you may 31.2% during the members with a and you will poor adult relationships, while the prevalence away from depressive symptoms try eleven.4% and you can 31.9% inside professionals that have closed and you will alienated parental-boy matchmaking, respectively. Parental dating, parental-guy relationships, and you can negative life occurrences was seriously correlated having depressive symptoms. The end result off parental relationship with the depressive periods are completely mediated because of the bad existence occurrences (Impression = 0.052, 95% CI = [0.023, 0.082]), given that aftereffect of mother or father-son dating into teenage depressive episodes is actually partially mediated of the bad lifetime occurrences (Feeling = 0.075, 95% CI = [0.048, 0.104]).


Our overall performance shown a leading incidence regarding depressive attacks when you look at the Chinese teens. Worst family dating may have the possibility to boost the danger from depressive episodes, in addition they make a difference depressive episodes courtesy negative lifetime occurrences.

Citation: Ren Z, Zhou Grams, Wang Q, Xiong W, Ma J, He M, mais aussi al. (2019) Contacts away from relatives relationships and you will bad lifestyle occurrences with depressive attacks certainly Chinese teens: A mix-sectional investigation. PLoS One to 14(7): e0219939.

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