Browsing by Subject "CHARACTER"

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  • Bartkowski, Krzysztof; Dimitroya, Maria; Chmielewski, Piotr J.; Sundholm, Dage; Pawlicki, Milosz (2019)
    It is important to understand the aromatic properties and magnetically induced current densities of highly conjugated chromophores when one designs molecules with strongly delocalized electronic structure. The aromatic character can be modified by linearly extending the electron delocalization pathway of the triphyrin(2.1.1) skeleton with an annelated benzo[b]heterocycle fragment. Two-electron reduction of the extended triphyrin leads to an antiaromatic triphyrin(2.1.1) ring and an aromatic benzo[b]heterocycle subunit. Detailed information about the observed pathways and their strengths are obtained by performing current-density calculation.
  • Benkyi, Isaac; Sundholm, Dage (2019)
    Magnetically induced current densities are reported for porphycenes at the density functional theory level using gauge-including atomic orbitals, which ensure gauge-origin independence and a fast basis-set convergence of the current densities. We have analyzed the current densities by using the gauge-including magnetically induced current (GIMIC) method. The porphycenes are found to be aromatic. They sustain strong diatropic ring currents. The ring-current pathways have been obtained by integrating the strength of the current density passing selected bonds. The calculations show that the ring current of the porphycenes divides into an outer and inner pathways at the pyrrolic rings. Thus, the ring current involves all 26 pi electrons of the porphycenes, which is similar to the ring current of porphin. No significant local ring currents are sustained by the pyrrolic rings. Dihydroporphycene with four inner hydrogens is found to be antiaromatic with weakly aromatic pyrrolic rings. The six-membered rings in benzoporphycene sustain local paratropic ring currents. The global ring current of dibenzoporphycene divides into an outer and inner pathway at the benzoic rings. Interactions between the inner hydrogen and the neighbor nitrogen are found to be more significant for differences in the H-1 NMR shieldings than variations in global ring-current strengths. We found that the antiaromatic dihydroporphycene has a larger HOMO-LUMO gap but a smaller optical gap than the aromatic porphycene.
  • Saarinen, Aino I. L.; Keltikangas-Järvinen, Liisa; Honda, Yukiko; Oksman, Elli; Raitakari, Olli; Pulkki-Råback, Laura; Hintsanen, Mirka (2020)
    This study investigated whether breastfeeding predicts offspring’s dispositional compassion and empathy from early adulthood to middle age. The parents of the participants (N = 1,394) of the Young Finns study answered questions about breastfeeding in 1983, and the participants’ compassion and empathy were evaluated in 1997‒2012 (participants were aged 20‒50 years). Breastfeeding did not predict the course of compassion or empathy in adulthood at the age of 20‒50 years. The associations remained non‐significant, when adjusted for age, gender, socioeconomic factors, and a wide range of characteristics of the family environment (including mother’s gestational age; premature birth; birth weight; number of other children at home; parental mental disorder; parental relationship status; parental postnatal smoking; parental postnatal alcohol use; parenting behavior; and child’s externalizing behavior). In conclusion, breastfeeding seems not to predict offspring’s compassion or empathy in adulthood. The findings may present a hopeful perspective for children growing up with non‐breastfeeding caregivers.
  • Savelieva, Kateryna; Pulkki-Råback, Laura; Jokela, Markus; Hintsanen, Mirka; Merjonen, Päivi; Hutri-Kähönen, Nina; Juonala, Markus; Viikari, Jorma; Raitakari, Olli T.; Keltikangas-Järvinen, Liisa (2017)
    Intergenerational continuity in parenting quality has been demonstrated but the mechanisms underlying this continuity are less understood. This study investigated whether the offspring personality and years of education mediate the continuity in qualities of the parent-child relationship and whether offspring personality moderates this association. The sample comprised 1308 Finnish offspring (G2; 62% female) and their mothers (G1). G1 (Mean age = 37.7) reported self-perceived qualities of the parent-child relationship in terms of emotional warmth and acceptance towards G2 aged 3-18 years in 1980. Thirty-two years later, once having become parents themselves, G2 (Mean age = 42.9) self-rated their own qualities of the parent-child relationship towards their children using the same scales. Between these follow-ups, G2 self-rated their personality (consisting of temperament and character traits) using the Temperament and Character Inventory and reported years of education. Results indicated that G2 character traits-Self-directedness and Cooperativeness-partially mediated the intergenerational continuity in self-perceived emotional warmth and explained 16% of this association. No mediating role of G2 temperament traits was found (all ps > .240). Character traits accounted for the indirect association better than education in a multiple mediator model. Moreover, no moderating role of either temperament or character traits was found (all psaEuroe.064). Study findings show that warm and accepting qualities of the parent-child relationship in childhood are related to offspring character traits that reflect personality maturity in adulthood, which in turn would predict their own positive parent-child relationship later in life.
  • Dobewall, Henrik; Hintsanen, Mirka; Savelieva, Kateryna; Hakulinen, Christian; Merjonen, Päivi; Gluschkoff, Kia; Keltikangas-Järvinen, Liisa (2019)
    Intergenerational transmission of life satisfaction has been empirically established, but less is known about the continuity of satisfaction as being reflected across multiple life domains, unique effects of parental domain-specific satisfaction on offspring overall life satisfaction, and potential gender effects. In this population-based prospective study, the association between the life satisfaction of parents (G1) (2191 mothers and 2156 fathers) and their children (G2) (921 sons and 1277 daughters) was examined. In both generations, satisfaction as a parent, as a spouse, and at work was assessed in about the same developmental stage (mean age for G1 38--42 years, and for G2 38--43 years at the times when LS was measured). When both parents were considered jointly, only mothers' overall life satisfaction had an independent effect on their adult children's overall life satisfaction, with the effect diminishing over time. However, we also found a robust effect of paternal satisfaction at work on offspring's overall life satisfaction in adulthood. Gender of the offspring did not significantly moderate the strength of the associations between generations. The current findings emphasize the high interdependence of life satisfaction within families long after children have moved out of the parental home.
  • Rauhalahti, Markus; Sundholm, Dage; Johansson, Mikael P. (2021)
    The magnetically induced current density of an intriguing naphthalene-fused heteroporphyrin has been studied, using the quantum-chemical, gauge-including magnetically induced currents (GIMIC) method. The ring-current strengths and current-density pathways for the heteroporphyrin, its Pd complex, and the analogous quinoline-fused heteroporphyrin provide detailed information about their aromatic properties. The three porphyrinoids have similar current-density pathways and are almost as aromatic as free-base porphyrin. Notably, we show that the global ring current makes a branch at three specific points. Thus, the global current is composed of a total of eight pathways that include 22 pi-electrons, with no contributions from 18-electron pathways.
  • Raymond, Ivan J.; Raymond, Christopher M. (2019)
    Despite the increasing interest in the intersections among values, well-being and environmental outcomes in sustainability science, few studies have considered these relationships by drawing on well-established theories and methods from positive psychology. The aim of this paper is to review three approaches conceptually related to positive psychology (self-determination theory, SDT; character strengths and virtues, CSV; acceptancy and commitment therapy, ACT) and compare these to sustainability approaches to well-being and values. First, we critically compare how values are understood, constructed and operationalised within the positive psychology and environmental values literatures. We offer a summary table to detail key concepts (and articles) which sustainability scientists may draw upon in their work against the dimensions of (1) elicitation process, (2) value provider (3) value concept and (4) value indicators. Second, we critically compare how the positive psychology and environmental values literature have considered the intersections between values and well-being. We identify the positive psychology pathways of 'value activation' and 'healthy-values' as alternative methods for sustainability scientists to consider. Third, we offer future options for the integration of positive psychology and environmental values literatures to deliver interventions which may lead to well-being and sustainability outcomes. We suggest that mindfulness could be applied as a method to clarify and activate values within a nature exposure context, which harnesses the qualities of both disciplines. To demonstrate integrative possibilities, a case example is offered which brings focus to well-being and sustainability outcomes, the intersection of value pathways, and intervention components drawn from both disciplines.
  • Fliegel, Helke; Dimitrova, Maria; Berger, Raphael J. F.; Sundholm, Dage (2021)
    A recently developed methodology for calculating, analyzing, and visualizing nuclear magnetic shielding densities is used for studying spatial contributions including ring-current contributions to 1H nuclear magnetic resonance (NMR) chemical shifts of aromatic and anti-aromatic free-base porphyrinoids. Our approach allows a visual inspection of the spatial origin of the positive (shielding) and negative (deshielding) contributions to the nuclear magnetic shielding constants. Diatropic and paratropic current-density fluxes yield both shielding and deshielding contributions implying that not merely the tropicity of the current density determines whether the contribution has a shielding or deshielding character. Instead the shielding or deshielding contribution is determined by the direction of the current-density flux with respect to the studied nucleus.