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Aftereffects of intra-unit hydrogen bonds for the stability of the radicals

Aftereffects of intra-unit hydrogen bonds for the stability of the 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 (pIC50 = 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 hydrogen bond is created amongst the 4-O • cardio and also the meta OH. right: no hydrogen bond is created amongst the 4-O • heart plus the meta OH.)

Part of the purpose of this studies were to talk about the brand new relationships off family members relationships and you can negative lives events having depressive attacks certainly one of Chinese kids.


A combination-sectional study of 3081 secondary school children are held within the Ganzhou Urban area, Jiangxi State, Asia. College students was in fact expected to accomplish forms regarding family relations relationship, bad lifetime occurrences, and you may depressive episodes. An excellent mediation research are accomplished playing with a parallel regression studies and also the Procedure macro approach.


Of the many members, 19.9% said feeling depressive attacks. The new frequency out of depressive attacks is thirteen.0% and 31.2% in the professionals that have a good and terrible parental relationships, additionally the incidence of depressive attacks are eleven.4% and you can 31.9% inside the users with Arizona sugar daddies dating website finalized and alienated parental-kid relationships, correspondingly. Adult dating, parental-guy relationship, and you can negative lifetime situations were absolutely correlated that have depressive symptoms. The effect from parental relationship for the depressive periods was totally mediated by bad lifetime incidents (Impression = 0.052, 95% CI = [0.023, 0.082]), while the aftereffect of parent-boy matchmaking into adolescent depressive attacks try partly mediated from the bad lifestyle occurrences (Feeling = 0.075, 95% CI = [0.048, 0.104]).


All of our overall performance shown a leading incidence from depressive attacks for the Chinese teenagers. Terrible nearest and dearest relationships have the possibility to increase the risk from depressive periods, and so they make a difference to depressive attacks thanks to negative life situations.

Citation: Ren Z, Zhou G, Wang Q, Xiong W, Ma J, He M, ainsi que al. (2019) Connections of loved ones relationships and you can bad existence incidents which have depressive attacks certainly Chinese teens: A combination-sectional studies. PLoS You to fourteen(7): e0219939.

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