According to the questionnaire survey of 500 graduate students on mental health, spiritual belief and self-harmony, through mathematical statistical analysis, it was found that :(1) overall, the psychological status of graduate students was unhealthy, and there were significant differences in some demographic variables; (2) self-flexibility has a significant positive predictive effect on political belief, nationalism, life pursuit and family pursuit; (3) the rigidity of ego has significant negative and positive predictive effect on nationalism and money pursuit respectively; (4) the disharmony between self and experience has a significant positive predictive effect on religious belief and god worship.

Metal–organic frameworks (MOFs) have been finding increasing involvements in the capture of environmentally unfriendly compounds including volatile organosulfides contained in a wide range of energy sources owing to their editable structures. In this study, modulation of interaction and diffusion for sulfide adsorption on Cu-BTC frameworks was achieved via doping a series of transition-metal ions (Ni, Co, Fe, Zn, and Cr) at a low content through post-synthesis in an ethanol system. Synthesized samples were characterized, and dimethyl disulfide (DMDS) adsorption on different metal-doped structures were carefully studied through adsorption measurements combined with computational simulation. The results indicate that the transition-metal doping into the Cu-BTC structure at low content not only enhances the guest–host interaction via altering the cation compositions (introducing external ions along with reduction of Cu­(II) to Cu­(I)) but also promotes pore diffusion of DMDS through modifying porosities of the porous architectures. The present study highlights the tunable modification of the metal–organic framework structures via low metal doping and provides insights into the function-oriented structural optimization of their infrastructures.

Reveal the Relation between Self consistency and congruence and Mental Health of Postgraduates. Adopt selfconsistency and congruence questionnaire, mental health questionnaire to carry out questionnaire investigation on 500 postgraduates of four Nanjing colleges and universities. Mental health of postgraduates has extremely negative notable relevance with the disharmony of oneself and experience and it has extremely negative notable relevance with self-flexibility. The degree of self consistency and congruence and self-flexibility of postgraduates with better psychological health situation is higher than that of postgraduates with poor mental health situation. Disharmony of oneself and experience, flexibility function of oneself forecast mentality symptom dissociation amounts to a certain extent. The degree of self-consistency and congruence has a significant influence on mental health.

Machine learning and computer-aided approaches significantly accelerate molecular design and discovery in scientific and industrial fields increasingly relying on data science for efficiency. The typical method used is supervised learning which needs huge datasets. Semi-supervised machine learning approaches are effective to train unlabeled data with improved modeling performance, whereas they are limited by the accumulation of prediction errors. Here, to screen solvents for removal of methyl mercaptan, a type of organosulfur impurities in natural gas, we constructed a computational framework by integrating molecular similarity search and active learning methods, namely, molecular active selection machine learning (MASML). This new model framework identifies the optimal molecules set by molecular similarity search and iterative addition to the training dataset. Among all 126,068 compounds in the initial dataset, 3 molecules were identified to be promising for methyl mercaptan (MeSH) capture, including benzylamine (BZA), p-methoxybenzylamine (PZM), and N,N-diethyltrimethylenediamine (DEAPA). Further experiments confirmed the effectiveness of our modeling framework in efficient molecular design and identification for capturing methyl mercaptan, in which DEAPA presents a Henry's law constant 89.4% lower than that of methyl diethanolamine (MDEA).

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