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https://www.readbyqxmd.com/read/29665176/interplay-between-microwave-spectroscopy-and-x-ray-diffraction-the-molecular-structure-and-large-amplitude-motions-of-2-3-dimethylanisole
#1
Lynn Ferres, Khai-Nghi Truong, Wolfgang Stahl, Ha Vinh Lam Nguyen
To determine the structural properties of 2,3-dimethyl-anisole, a multidisciplinary approach was carried out where gas phase rotational spectroscopy recorded from 2 to 26.5 GHz using a pulsed molecular jet Fourier transform microwave spectrometer was combined with solid state X-ray diffraction. Both methods revealed that only one conformer with a heavy-atom planar structure exists. In the solid state, the packing in the monoclinic space group is P21/n with Z = 4. In the gas phase spectrum, torsional splittings due to the internal rotations of two methyl groups attached on the phenyl ring were resolved and analyzed, providing an estimate of the barriers to methyl internal rotation of V3 = 26...
April 17, 2018: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/29665115/attachment-security-values-and-prosocial-attitudes
#2
Adelaida Monteoliva, J Miguel A García-Martínez, Emilio Sánchez Santa-Bárbara, Antonia Calvo-Salguero
The objective of this study was to determine whether individuals with different attachment styles held different prosocial values and attitudes given their different models of self and of others. A sample of 717 university students completed the ECR-S (Experiences in Close Relationships-Spanish) and the PVQ (Portrait Values Questionnaire), and evaluated different prosocial attitudes. The results showed that secure individuals reported higher scores on self-transcendence and in the value self-directions of the dimension openness to change, whereas insecure individuals had higher scores on conservation and self-enhancement...
April 17, 2018: Scandinavian Journal of Psychology
https://www.readbyqxmd.com/read/29656475/hydrogenation-of-multiple-bonds-by-geminal-aminoborane-based-frustrated-lewis-pairs
#3
Diana Yepes, Pablo Jaque, Israel Fernandez
By means of Density Functional Theory calculations, the hydrogenation reaction of multiple bonds mediated by geminal aminoborane-based frustrated Lewis pairs (FLPs) has been explored. It is found that the release of the activated dihydrogen occurs in a concerted, yet highly asynchronous, manner. The physical factors controlling the transformation are quantitatively described in detail by means of the Activation Strain Model of reactivity in combination with the Energy Decomposition Analysis method. This approach suggests a cooperative double hydrogen transfer mechanism which is initiated by the migration of the protic (N)H and followed by the nucleophilic attack of the hydride (B)H to the carbon atom of the multiple bond...
April 14, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29656079/theory-and-practice-of-using-solvent-paramagnetic-relaxation-enhancement-to-characterize-protein-conformational-dynamics
#4
Zhou Gong, Charles D Schwieters, Chun Tang
Paramagnetic relaxation enhancement (PRE) has been established as a powerful tool in NMR for investigating protein structure and dynamics. The PRE is usually measured with a paramagnetic probe covalently attached at a specific site of an otherwise diamagnetic protein. The present work provides the numerical formulation for probing protein structure and conformational dynamics based on the solvent PRE (sPRE) measurement, using two alternative approaches. An inert paramagnetic cosolute randomly collides with the protein, and the resulting sPRE manifests the relative solvent exposure of protein nuclei...
April 12, 2018: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/29649258/clinician-ratings-of-the-comprehensive-assessment-of-psychopathic-personality-capp-in-a-representative-sample-of-spanish-prison-inmates-new-validity-evidence
#5
Gerardo Flórez, Ventura Ferrer, Luis S García, María R Crespo, Manuel Pérez, Pilar A Saíz, David J Cooke
The Comprehensive Assessment of Psychopathic Personality (CAPP) is a concept map of psychopathic personality disorder (PPD). The CAPP- Institutional Rating Scale (IRS) is a tool designed to assess CAPP symptoms in institutional settings. The CAPP contains 33 personality traits organized in six domains: attachment, behavioural, cognitive, dominance, emotional and self. Until now, much of the CAPP research has been conducted out of clinical, forensic and correctional settings using self-ratings. In the current study, the psychometric properties and construct validity of the CAPP-IRS were evaluated in a non-convenience sample of 204 Spanish convicts...
2018: PloS One
https://www.readbyqxmd.com/read/29621692/attachment-across-the-lifespan-insights-from-adoptive-families
#6
REVIEW
Kenneth Lee Raby, Mary Dozier
Research with adoptive families offers novel insights into longstanding questions about the significance of attachment across the lifespan. We illustrate this by reviewing adoption research addressing two of attachment theory's central ideas. First, studies of children who were adopted after experiencing severe adversity offer powerful tests of the unique consequences of experiences in early attachment relationships. Although children who experience early maltreatment or institutionalization show remarkable recovery in the quality of their attachments after being placed with their adoptive families, experiencing pre-adoptive adversity also has long-lasting repercussions for these individuals' later attachment representations...
March 26, 2018: Current Opinion in Psychology
https://www.readbyqxmd.com/read/29614226/electronic-resonances-of-nucleobases-using-stabilization-methods
#7
Mark A Fennimore, Spiridoula Matsika
The interaction of low energy electrons with nucleobases is important because of their potential to damage nucleic acids. In this work we investigate several low lying resonances of nucleobases using quantum chemical methods including static and dynamical correlation coupled with orbital stabilization methods. Specifically, the equation of motion for electron affinities via couple cluster singles and doubles (EOM-EA-CCSD) and multireference perturbation theory (XMCQDPT2) methods were used and their performance explored...
April 3, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29609747/the-american-muslim-voter-community-belonging-and-political-participation
#8
Angela X Ocampo, Karam Dana, Matt A Barreto
The past few election cycles have brought increased attention on voting rates among racial and ethnic minorities in the United States, focusing on African Americans, Asian Americans and Latinos. Building on theories of in-group identity, we assess whether or not American Muslims are similarly mobilized to vote consonant with other ethnic minorities in the U.S. whereby in-group attachment and group-level resources encourage participation. Using a national sample of American Muslims, we find that those who live around more co-ethnics and those who actively engage their religious identity are more likely to report they voted, and more likely to vote Democratic...
May 2018: Social Science Research
https://www.readbyqxmd.com/read/29605735/attachment-reorganization-following-divorce-normative-processes-and-individual-differences
#9
REVIEW
David A Sbarra, Jessica L Borelli
This paper uses attachment theory as a lens for reviewing contemporary research on how adults cope with marital separation and loss. The first section of the paper discusses the process of normative attachment reorganization, or the psychology of adaptive grief responses following relationship transitions. We argue that changes two processes, in particular, can be uses to track changes in this normative reorganization process: narrative coherence and self-concept clarity. The second section of the paper suggest that individual differences in attachment anxiety and avoidance shape the variability in this normative reorganization process, largely as a result of the characteristic ways in which these styles organize emotion-regulatory tendencies...
March 21, 2018: Current Opinion in Psychology
https://www.readbyqxmd.com/read/29603550/the-links-between-adult-attachment-and-post-traumatic-stress-a-systematic-review
#10
REVIEW
Natalie Barazzone, Ines Santos, John McGowan, Eloise Donaghay-Spire
PURPOSE: The theory of attachment has informed our understanding of survival and well-being throughout the lifespan. There is a growing interest in the relationship between attachment and symptoms of post-traumatic stress (PTS). Emerging evidence points to important links between attachment and PTS, yet current theoretical and clinical understandings of PTS symptoms and attachment remain relatively disparate. The current systematic review aimed to synthesize, describe, and critique evidence demonstrating the links between attachment and PTS in adults...
March 30, 2018: Psychology and Psychotherapy
https://www.readbyqxmd.com/read/29599732/functions-of-autobiographical-memory-in-younger-and-older-adults
#11
Andrea Vranić, Margareta Jelić, Mirjana Tonković
Functional approach to autobiographical memory (AM) posits its three broad functions: directive, self, and social. Although these functions are probably universal, life stage and gender variations are expected. This research builds on previous studies investigating the validity of Thinking About Life Experiences Questionnaire (TALE; Bluck and Alea, 2011). A sample of 365 adults (56% female, mean age 43.3 years), divided in 2 age cohorts (young: 18-45 years, old: 46-90 years), used TALE, to rate their tendency of using AM for three different purposes, and measures of self-concept clarity, attachment in close relationships and time perspective...
2018: Frontiers in Psychology
https://www.readbyqxmd.com/read/29596074/psychological-impact-of-pregnancy-loss-best-practice-for-obstetric-providers
#12
Deborah Rich
Three overlapping areas of study form the foundation of the psychological impact of pregnancy loss: (1) transition to parenthood and the development of attachment, (2) perinatal mental health disorders, and (3) complicated grief. This article integrates findings from prominent lineages of theory to offer the obstetric provider an evidence-based framework for patient care. Current consensus across fields of study is that preexisting depression and anxiety are the strongest predictors of psychological functioning after loss and through the subsequent pregnancy...
March 28, 2018: Clinical Obstetrics and Gynecology
https://www.readbyqxmd.com/read/29595300/-narrowing-the-transmission-gap-a-synthesis-of-three-decades-of-research-on-intergenerational-transmission-of-attachment-correction
#13
(no author information available yet)
Reports an error in "Narrowing the transmission gap: A synthesis of three decades of research on intergenerational transmission of attachment" by Marije L. Verhage, Carlo Schuengel, Sheri Madigan, R. M. Pasco Fearon, Mirjam Oosterman, Rosalinda Cassibba, Marian J. Bakermans-Kranenburg and Marinus H. van IJzendoorn ( Psychological Bulletin , 2016[Apr], Vol 142[4], 337-366). In the article, there are errors in Table 7. The percentages of the attachment classifications do not add up to 100%. The corrected version of Table 7 is provided in the erratum...
April 2018: Psychological Bulletin
https://www.readbyqxmd.com/read/29593609/early-life-stressors-personality-development-and-fast-life-strategies-an-evolutionary-perspective-on-malevolent-personality-features
#14
REVIEW
Árpád Csathó, Béla Birkás
Life history theory posits that behavioral adaptation to various environmental (ecological and/or social) conditions encountered during childhood is regulated by a wide variety of different traits resulting in various behavioral strategies. Unpredictable and harsh conditions tend to produce fast life history strategies, characterized by early maturation, a higher number of sexual partners to whom one is less attached, and less parenting of offspring. Unpredictability and harshness not only affects dispositional social and emotional functioning, but may also promote the development of personality traits linked to higher rates of instability in social relationships or more self-interested behavior...
2018: Frontiers in Psychology
https://www.readbyqxmd.com/read/29589173/do-dihydroxymagnesium-carboxylates-form-grignard-type-reagents-a-theoretical-investigation-on-decarboxylative-fragmentation
#15
Alexander Ruf, Basem Kanawati, Philippe Schmitt-Kopplin
Dihydroxymagnesium carboxylates [(OH)2 MgO2 CR] were probed for decarboxylation on a theoretical level, by utilizing both Møller-Plesset perturbation theory (MP2) and density functional theory (B3LYP-DFT) computations. This study is connected to the question of whether this recently introduced, astrobiologically relevant chemical class may form Grignard-type reagent molecules. To extract trends for a broad molecular mass range, different linear alkyl chain lengths between C4 and C11 were computed. The forward energy barrier for decarboxylation reactions increases linearly as a function of the ligand's chain length...
March 27, 2018: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29587169/attachment-within-life-history-theory-an-evolutionary-perspective-on-individual-differences-in-attachment
#16
REVIEW
Ohad Szepsenwol, Jeffry A Simpson
In this article, we discuss theory and research on how individual differences in adult attachment mediate the adaptive calibration of reproductive strategies, cognitive schemas, and emotional expression and regulation. We first present an integration of attachment theory and life history theory. Then, we discuss how early harsh and/or unpredictable environments may promote insecure attachment by hampering parents' ability to provide sensitive and reliable care to their children. Finally, we discuss how, in the context of harsh and/or unpredictable environments, different types of insecure attachment (i...
March 15, 2018: Current Opinion in Psychology
https://www.readbyqxmd.com/read/29582656/investigating-and-modeling-the-transport-of-the-new-horizon-reduced-graphene-oxide-metal-oxide-nanohybrids-in-water-saturated-porous-media
#17
Dengjun Wang, Yan Jin, Chang Min Park, Jiyong Heo, Xue Bai, Nirupam Aich, Chunming Su
Little is known about the fate and transport of the 'new-horizon' multifunctional nanohybrids in the environment. Saturated sand-packed column experiments (n=66) were therefore performed to investigate the transport and retention of reduced graphene oxide (RGO)-metal oxide (Fe3O4, TiO2, and ZnO) nanohybrids under environmentally-relevant conditions (mono- and di-valent electrolytes and natural organic matter). Classical colloid science principles (Derjaguin-Landau-Verwey-Overbeek (DLVO) theory and colloid filtration theory (CFT)) and mathematical models based on the one-dimensional convection-dispersion equation were employed to describe and predict the mobility of RGO-Fe3O4, RGO-TiO2, and RGO-ZnO nanohybrids in porous media...
March 27, 2018: Environmental Science & Technology
https://www.readbyqxmd.com/read/29579723/attachment-and-eating-disorders-a-research-update
#18
REVIEW
Giorgio A Tasca
Prominent models of eating disorders tend to focus on cognitive and behavioral features, but tend not to consider important developmental issues related to affect regulation, interpersonal style, self concept, and mentalization-all of which are well conceptualized within attachment theory. Higher levels of attachment insecurity across diagnoses are related to greater eating disorder symptoms. Low parental care and early trauma may lead to attachment insecurity that then might lead to greater eating disorder symptoms...
March 16, 2018: Current Opinion in Psychology
https://www.readbyqxmd.com/read/29578817/a-dyadic-approach-to-pornography-use-and-relationship-satisfaction-among-heterosexual-couples-the-role-of-pornography-acceptance-and-anxious-attachment
#19
Megan K Maas, Sara A Vasilenko, Brian J Willoughby
The majority of research on pornography use within committed relationships has found such use to be associated with negative outcomes. However, given the variability in pornography use among couples, the current study sought to examine moderators in the association between pornography use and relationship satisfaction in a large sample of heterosexual matched-paired couples (N = 6,626). Actor-partner interdependence models (APIMs) revealed that for men who are more anxiously attached, more pornography use is associated with higher relationship satisfaction; whereas for women who are more anxiously attached, more pornography use is associated with lower relationship satisfaction...
March 26, 2018: Journal of Sex Research
https://www.readbyqxmd.com/read/29574047/psychoanalysis-in-modern-mental-health-practice
#20
REVIEW
Jessica Yakeley
Like any discipline, psychoanalysis has evolved considerably since its inception by Freud over a century ago, and a multitude of different psychoanalytic traditions and schools of theory and practice now exist. However, some of Freud's original ideas, such as the dynamic unconscious, a developmental approach, defence mechanisms, and transference and countertransference remain essential tenets of psychoanalytic thinking to this day. This Review outlines several areas within modern mental health practice in which contemporary adaptations and applications of these psychoanalytic concepts might offer helpful insights and improvements in patient care and management, and concludes with an overview of evidence-based psychoanalytically informed treatments and the links between psychoanalysis, attachment research, and neuroscience...
March 21, 2018: Lancet Psychiatry
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