58 research outputs found
A Randomized Clinical Trial in Comparing the Effectiveness of Acceptance and Commitment Therapy and Metacognitive Therapy on Mind-Wandering Index in Adolescents
Introduction: Acceptance and commitment and metacognitive therapies are considered as third wave therapies. This study aimed to compare the effectiveness of acceptance and commitment therapy (ACT) and Metacognitive therapy (MCT) on the mind-wandering index in adolescents.Methods: In a randomized clinical trial, 45 female adolescents in Karaj were estimated using a Cloninger sample volume estimation method and were selected through purposive screening sampling. They were randomly assigned into three groups. Two ACT and MCT were presented to the experimental groups in the form of ten sessions of 1 hour. The data were collected at three time intervals through a demographic checklist, a structured clinical interview and a mind-wandering questionnaire. Analysis of covariance and Bonferroni analysis tests were used.Results: The primary outcomes showed that both ACT and MCT had a significant effect on the mind-wandering index (p<0.01), although this effectiveness was more favorable in the MCT group (P<0.05). The secondary outcomes also showed the stability of the results in the follow-up stage (p<0.05).Conclusion: The results of this study suggest the effectiveness of third wave therapies on psychological indices. These findings can be combined with clinical applications in planning new therapeutic and educational perspectives.Declaration of Interest: Non
Theoretical study of HF elimination kinetics of ethane fluorides and derivatives [C<sub>2</sub>H<sub>6<i>-n</i></sub>F<i><sub>n</sub></i> (<i>n </i>= 1- 4)]
1579-1585A theoretical study of the
thermal decomposition kinetics of ethane fluorides, viz., ethyl fluoride, 1,1-difluoroethane,
1,1,1-trifluoroethane and 1,1,2,2-tetrafluoroethane, has been carried out at the B3LYP/6-31++G**,
B3PW91/6-31++G** and MP2/6-31++G** levels of theory.
Among these methods, data for activation parameters obtained with the B3PW91/
6-31++G** method is in good agreement with the experimental data. The calculated data demonstrate that in the HF elimination
reaction of the studied compounds, the polarization of the C1-F3
bond is rate determining. Analysis of bond order, NBO charges, bond indexes and
synchronicity parameters suggest the HF elimination occurs through a concerted and asynchronous
four-membered cyclic transition state type of mechanism
Predicting marital commitment based on Internal religious orientation with the mediation of sexual satisfaction and self-control
Background and Aim: The present study was conducted with the aim of predicting marital commitment based on Internal religious orientation with the mediation of sexual satisfaction and self-control. Methods: The research method was correlational and structural equations type. The statistical population is all women who referred to counseling centers and health homes in Tehran in 2020-21 and 380 people were selected as a sample using a simple random sampling method. The data collection tool was Adams and Jones' Marital Commitment Questionnaire (1997), Allport Religious Orientation Questionnaire (1950), Larson et al.'s Sexual Satisfaction Questionnaire (1998), and Tanji et al.'s Self-Control Questionnaire (2004). For data analysis, structural equation modeling was used using AMOS 14 and SPSS 24 software. Results: The results showed that the direct effect of Internal religious orientation on sexual satisfaction (Ī²=-0.31), self-control (Ī²=-0.40) and marital commitment (Ī²=-0.28) is significant. The direct effect of sexual satisfaction on marital commitment (Ī²=0.17) and self-control on marital commitment (Ī²=0.64) is also positive and significant. Meanwhile, self-control can play a mediating role in the relationship between Internal religious orientation and marital commitment (Pā„0.001). Conclusion: Internal religious orientation, communication patterns, sexual satisfaction and self-control, if formed in positive and efficient dimensions, can increase and maintain couples' commitments
Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
Global reactivity descriptors of Isopropyl acetate (IPA) and thermo-kinetics aspects of its oxidation via the ground state (X2Ī ) and the first excited state (A2Ī£+) ā¢OH radicals have been studied computationally using the moderate ab initio composite method, restricted open-shell complete basis setquadratic Becke3 (ROCBSQB3), the accurate thermo-kinetic density functional method (DFT) M06-2X/cc-pVTZ and the time-dependent density functional TDDFT-M06-2X/cc-pVTZ//M06-2X/cc-pVTZ levels. Ten oxidation pathways have been investigated all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reactions. Rate constants calculations were obtained directly by connecting the separated reactants with different transition states and via an effective approach using the unimolecular Rice-Ramsperger-Kassel-Marcus (RRKM) and the transition state (TST) theories. The results indicate that the reaction of IPA with ā¢OH radicals occurs in the ground state rather than the excited state and the rate constants obtained directly and from the effective approach are the same which confirmed the accuracy of the estimated pre-reactive complexes and the reaction mechanism. Rate constants and branching ratios show that H- atom abstraction from iso C-H (C2 atom) bond is the most kinetically preferable route up to 1000 K, while at higher temperature H-atom abstraction from the out-plane CH3 group (C3 atom) became the most dominant route with the high competition with that of in-plane CH3 group (C4 atom)
Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The H Abstraction Pathway
Reaction
mechanisms for the initial stages of naphthalene oxidation
at high temperatures (<i>T</i> ā„ 600 K) have been
studied theoretically using density functional theory along with various
exchange-correlation functionals, as well as the benchmark CBS-QB3
quantum chemical approach. These stages correspond to the removal
of hydrogen atoms by hydroxyl radical and the formation thereby of
1- and 2-naphthyl radicals. Bimolecular kinetic rate constants were
estimated by means of transition state theory. The excellent agreement
with the available experimental kinetic rate constants demonstrates
that a two-step reaction scheme prevails. Comparison with results
obtained with density functional theory in conjunction with various
exchange-correlation functionals also shows that DFT remains unsuited
for quantitative insights into kinetic rate constants. Analysis of
the computed structures, bond orders, and free energy profiles demonstrates
that the reaction steps involved in the removal of hydrogen atoms
by OH radicals satisfy Hammondās principle. Computations of
branching ratios also show that these reactions do not exhibit a particularly
pronounced site-selectivity
Following the Molecular Mechanism of Decarbonylation of Unsaturated Cyclic Ketones Using Bonding Evolution Theory Coupled with NCI Analysis
The synergetic use
of bonding evolution theory (BET) and noncovalent
interaction (NCI) analysis allows to obtain new insight into the bond
breaking/forming processes and electron redistribution along the reaction
path to understand the molecular mechanism of a reaction and recognize
regions of strong and weak electron pairing. This viewpoint has been
considered for cheletropic extrusion of CO from unsaturated cyclic
ketones cyclohepta-3,5-dien-1-one <b>CHD</b>, cyclopentā3-en-1-one <b>CPE</b>, and bicyclo[2.2.1]Āhept-2-en-7-one <b>BCH</b> by
using hybrid functional MPWB1K in conjugation with aug-cc-pVTZ basis
set. Decarbonylation of <b>CHD</b>, <b>CPE</b>, and <b>BCH</b> are nonpolar cyclo-elimination reactions that are characterized
by the sequence of turning points (TPs) as <b>CHD</b>, 1ā11-CĀ[CC]ĀC<sup>ā </sup>C<sup>ā </sup>FFF<sup>TS</sup>C<sup>ā </sup>C<sup>ā </sup>C<sup>ā </sup>ā0:<b>HT</b> + CO; <b>CPE</b>, 1ā8-CCĀ[C<sup>ā </sup>C<sup>ā </sup>F<sup>ā </sup>]Ā[FF]Ā[FF]ĀF<sup>TS</sup>[C<sup>ā </sup>C<sup>ā </sup>]ā0:<b>BD</b> + CO; and <b>BCH</b>, 1ā8-CCĀ[C<sup>ā </sup>C<sup>ā </sup>]ĀFĀ[FF]ĀF<sup>TS</sup>[C<sup>ā </sup>C<sup>ā </sup>]ā0:<b>CD</b> + CO. Breaking of CāC bond between the terminal
carbon atoms of diene/triene framework and carbon atom of CO fragment
starts at a distance of ca. 1.9ā2.0 Ć
in the vicinity
of the transition structure where the transition states are not reached
yet. NCI analysis explains that the noncovalent interactions between
two fragments appeared after the breaking of CāC bonds
The Effectiveness of Communication Imagery Training (Imago Therapy) Approach on Post-Traumatic Growth and Development in Couples with Spouse Infidelity: The Effectiveness of Communication Imagery Training (Imago Therapy) Approach on Post-Traumatic Growth and Development in Couples with Spouse Infidelity
Background and Aim:Marital infidelity is a shocking issue for couples and families and a common phenomenon for counselors and therapists. This study aimed to examine the effectiveness of the communication imagery (imago therapy) training approach on post-traumatic growth and development in couples with marital infidelity.
Materials and Methods:This semi-experimental study was carried out on two experimental and control groups with a pretest and posttest design. The statistical population of the study included all the women referring to one of the counseling centers in Tehran, during 2018-2019 due to marital conflicts, problems related to satisfaction, and the need for the improvement of marital relationships. They were selected by convenient sampling method. Imago therapy treatment was performed in 10 weekly sessions (90 minutes) for participants in experimental group. The control group was placed on a waiting list. Data were collected based on post-traumatic growth and development questionnaire and descriptive and inferential statistical methods and multivariate analysis of covariance were used using SPSS.22 software.
Results:The results showed that communication imagery training (imago therapy) was effective on post-traumatic growth and development (F=92.17, P<0.001) in couples with infidelity.
Conclusion:It can be concluded that communication imagery training (imago therapy) helps couples to acquire skills to heal past wounds and separate marital relationships from past influences by understanding their unconscious processes
Theoretical Study of the Oxidation Mechanisms of Naphthalene Initiated by Hydroxyl Radicals: The OH-Addition Pathway
The oxidation mechanisms of naphthalene
by OH radicals under inert (He) conditions have been studied using
density functional theory along with various exchangeācorrelation
functionals. Comparison has been made with benchmark CBS-QB3 theoretical
results. Kinetic rate constants were correspondingly estimated by
means of transition state theory and statistical RiceāRamspergerāKasselāMarcus
(RRKM) theory. Comparison with experiment confirms that, on the OH-addition
reaction pathway leading to 1-naphthol, the first bimolecular reaction
step has an effective negative activation energy around ā1.5
kcal mol<sup>ā1</sup>, whereas this step is characterized by
an activation energy around 1 kcal mol<sup>ā1</sup> on the
OH-addition reaction pathway leading to 2-naphthol. Effective rate
constants have been calculated according to a steady state analysis
upon a two-step model reaction mechanism. In line with experiment,
the correspondingly obtained branching ratios indicate that, at temperatures
lower than 410 K, the most abundant product resulting from the oxidation
of naphthalene by OH radicals must be 1-naphthol.
The regioselectivity of the OH<sup>ā¢</sup>-addition onto naphthalene
decreases with increasing temperatures and decreasing pressures. Because
of slightly positive or even negative activation energies, the RRKM
calculations demonstrate that the transition state approximation breaks
down at ambient pressure (1 bar) for the first bimolecular reaction
steps. Overwhelmingly high pressures, larger than 10<sup>5</sup> bar,
would be required for restoring to some extent (within ā¼5%
accuracy) the validity of this approximation for all the reaction
channels that are involved in the OH-addition pathway. Analysis of
the computed structures, bond orders, and free energy profiles demonstrate
that all reaction steps involved in the oxidation of naphthalene by
OH radicals satisfy LefflerāHammondās principle. Nucleus
independent chemical shift indices and natural bond orbital analysis
also show that the computed activation and reaction energies are largely
dictated by alterations of aromaticity, and, to a lesser extent, by
anomeric and hyperconjugative effects
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