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Attachment theory

Xiaojun Li, Shuna Li, Hongjiang Ren, Juxiang Yang, Yongqiang Tang
A new series of alkali-based complexes, AM@GenAu (AM = Li, Na, and K), have been theoretically designed and investigated by means of the density functional theory calculations. The geometric structures and electronic properties of the species are systematically analyzed. The adsorption of alkali metals maintains the structural framework of the gold-germanium bimetallic clusters, and the alkali metals prefer energetically to be attached on clusters' surfaces or edges. The high chemical stability of Li@Ge12Au is revealed by the spherical aromaticity, the hybridization between the Ge atoms and Au-4d states, and delocalized multi-center bonds, as well as large binding energies...
July 17, 2017: Nanomaterials
Katherine Berry, Filippo Varese, Sandra Bucci
There is a robust association between hearing voices and exposure to traumatic events. Identifying mediating mechanisms for this relationship is key to theories of voice hearing and the development of therapies for distressing voices. This paper outlines the Cognitive Attachment model of Voices (CAV), a theoretical model to understand the relationship between earlier interpersonal trauma and distressing voice hearing. The model builds on attachment theory and well-established cognitive models of voices and argues that attachment and dissociative processes are key psychological mechanisms that explain how trauma influences voice hearing...
2017: Frontiers in Psychiatry
Sonia Masciantonio, Susan R Hemer, Anna Chur-Hansen
This paper is an ethnographic exploration of how attachment theory underpins therapeutic practices in an Australian institutional context where mothers of infants have been diagnosed and are undergoing treatment for mental illness. We argue that attachment theory in this particular context rests on a series of principles or assumptions: that attachment theory is universally applicable; that attachment is dyadic and gendered; that there is an attachment template formed which can be transferred across generations and shapes future social interactions; that there is understood to be a mental health risk to the infant when attachment is characterised as problematic; and that this risk can be mitigated through the therapeutic practices advocated by the institution...
July 15, 2017: Culture, Medicine and Psychiatry
Mariachiara Pastore, Xavier Assfeld, Edoardo Mosconi, Antonio Monari, Thibaud Etienne
We report a theoretical study on the analysis of the relaxed one-particle difference density matrix characterizing the passage from the ground to the excited state of a molecular system, as obtained from time-dependent density functional theory. In particular, this work aims at using the physics contained in the so-called Z-vector, which differentiates between unrelaxed and relaxed difference density matrices to analyze excited states' nature. For this purpose, we introduce novel quantum-mechanical quantities, based on the detachment/attachment methodology, for analysing the Z-vector transformation for different molecules and density functional theory functionals...
July 14, 2017: Journal of Chemical Physics
Ignacijo Biluš, Benjamin Bizjan, Luka Lešnik, Brane Širok, Boštjan Pečnik, Matevž Dular
This paper presents a novel non-contact method for simultaneous analysis of pressure and velocity conditions in cavitating flows. The method (implemented in our software ADMflow) is based on high-speed camera flow visualization and was evaluated in an experiment with ultrasonically induced acoustic cavitation of different intensities. Attached cavitation with clearly visible cavitation structures occurred on the tip of an ultrasonic probe immersed in distilled water. Using the high-speed imaging data, pressure fluctuations were calculated by a computer-aided algorithm based on the Brennen's theory of cavitation cloud kinematics and a modified version of the Rayleigh-Plesset equation...
March 16, 2017: Ultrasonics
Kiran Sapkota, Mark W Irvine, Guangyu Fang, Erica S Burnell, Neil Bannister, Arturas Volianskis, Georgia R Culley, Shashank M Dravid, Graham L Collingridge, David E Jane, Daniel T Monaghan
The theory that N-methyl-d-aspartate receptor (NMDAR) hypofunction is responsible for the symptoms of schizophrenia is well supported by many pharmacological and genetic studies. Accordingly, positive allosteric modulators (PAMs) that augment NMDAR signaling may be useful for treating schizophrenia. Previously we have identified several NMDAR PAMs containing a carboxylic acid attached to naphthalene, phenanthrene, or coumarin ring systems. In this study, we describe several functional and mechanistic properties of UBP684, a 2-naphthoic acid derivative, which robustly potentiates agonist responses at each of the four GluN1a/GluN2 receptors and at neuronal NMDARs...
July 11, 2017: Neuropharmacology
William Ko, Sookkyung Lim, Wanho Lee, Yongsam Kim, Howard C Berg, Charles S Peskin
The helical flagella that are attached to the cell body of bacteria such as Escherichia coli and Salmonella typhimurium allow the cell to swim in a fluid environment. These flagella are capable of polymorphic transformation in that they take on various helical shapes that differ in helical pitch, radius, and chirality. We present a mathematical model of a single flagellum described by Kirchhoff rod theory that is immersed in a fluid governed by Stokes equations. We perform numerical simulations to demonstrate two mechanisms by which polymorphic transformation can occur, as observed in experiments...
June 2017: Physical Review. E
Partha P Bera, Tamar Stein, Martin Head-Gordon, Timothy J Lee
We investigated the formation mechanisms of the nucleobases adenine and guanine and the nucleobase analogues hypoxanthine, xanthine, isoguanine, and 2,6-diaminopurine in a UV-irradiated mixed 10:1 H2O:NH3 ice seeded with precursor purine by using ab initio and density functional theory computations. Our quantum chemical investigations suggest that a multistep reaction mechanism involving purine cation, hydroxyl and amino radicals, together with water and ammonia, explains the experimentally obtained products in an independent study...
July 14, 2017: Astrobiology
Anning Hu
The comprehensive social reform and relaxation of religious regulation in mainland China have encouraged scholars to propose a revival thesis of religion, predicting a rising prevalence of religious adherence in the Reform Era. This study extends the revival thesis by focusing attention on people's subjective religiosity, and investigates age, period, and cohort effects on the transition in perceived importance of religion from 1990 to 2012. Capitalizing on the repeated cross-sectional data of the China sample in the World Values Survey, this study shows that (1) The senior population, relative to the younger counterpart, attaches greater importance to religion...
August 2017: Social Science Research
Kanupriya Verma, K S Viswanathan
Dimers of borazine were studied using matrix isolation infrared spectroscopy and ab initio quantum chemical calculations. Computations were performed at the MP2 and M06-2X levels of theory using the 6-311++G(d,p) and aug-cc-pVDZ basis sets for the various homodimers. At both levels of theory, an aligned stacked structure was found to be the global minimum, which was nearly isoenergetic to a parallel displaced structure. A T-shaped structure, where the N-H of one borazine pointed towards the N of the second borazine, was found to be a local minimum...
July 12, 2017: Physical Chemistry Chemical Physics: PCCP
Tomasz Klemens, Katarzyna Czerwińska, Agata Szlapa-Kula, Slawomir Kula, Anna Switlicka, Sonia Kotowicz, Mariola Siwy, Katarzyna Bednarczyk, Stanisław Krompiec, Karolina Smolarek, Sebastian Maćkowski, Witold Danikiewicz, Ewa Schab-Balcerzak, Barbara Machura
Nine rhenium(i) complexes possessing three carbonyl groups together with a bidentate coordinated 2,6-di(thiazol-2-yl)pyridine derivative were synthesized to examine the impact of structure modification of the triimine ligand on the photophysical, thermal and electrochemical properties of [ReCl(CO)3(4-R(n)-dtpy-κ(2)N)]. The Re(i) complexes were fully characterized using IR, (1)H and (13)C, HRMS-ESI and single crystal X-ray analysis. Their thermal properties were evaluated using DSC and TGA measurements. Photoluminescence spectra of [ReCl(CO)3(4-R(n)-dtpy-κ(2)N)] were investigated in solution and in the solid state, at 298 and 77 K...
July 13, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Saswati Santra, Nirmalya Sankar Das, Subrata Senapati, Dipayan Sen, Kalyan Kumar Chattopadhyay, Karuna Kar Nanda
Cold emission properties of carbon nanodots (CNDs) evaluated using "ANSYS Maxwell' software, are predicted to be size-dependent and then verified experimentally. In order to correlate the electron emission properties with the size of CNDs, the work function values were determined using ultraviolet photoelectron spectroscopy. This is the first report on theoretical calculations based on density functional theory and experimental results that confirm the work function dependency on the charge state of the functional group attached on the particle surface...
July 11, 2017: Nanotechnology
Benedikt Ómarsson, Ragnar Bjornsson, Oddur Ingolfsson
Here we present a combined experimental and theoretical study on the fragmentation of ortho- and para-tetrafluorohydroquinone upon low energy electron attachment. Despite an identical ring-skeleton and identical functional groups in these constitutional isomers, they show distinctly different fragmentation patterns, a phenomenon that cannot be explained by distinct resonances or different thermochemistry. Using high-level quantum chemical calculations with the computationally affordable domain localized pair natural orbital approach, DLPNO-CCSD(T), we are able to provide a complete and accurate description of the respective reaction dynamics, revealing proton shuttling and transition states for competing channels as the explanation for this different behavior of the isomers...
July 11, 2017: Journal of Physical Chemistry. A
Patricia M Crittenden
Attachment theory has developed over many decades - and continues to develop. Its roots lie in several seminal publications of John Bowlby (the basis of attachment theory) and Mary D. S. Ainsworth (the notion of individual differences in attachment). This paper identifies the prescient contributions of these early publications and two processes (a long-term dialogue and reflection on discrepancy) that underlay emergent theory. Because I was a student of Ainsworth when both attachment theory and individual differences in attachment organization were becoming better known, I offer some of my recollections of that period, suggesting how that period may have affected current work in attachment...
July 2017: Clinical Child Psychology and Psychiatry
Zhongfei Ren, Xing Xu, Baoyu Gao, Yanwei Li, Jian Kong, Yanan Shang, Wen Song, Qingzhu Zhang
A magnetic amine-crosslinked reed (MACR) was synthesized by an insitu precipitation method and used for perchlorate uptake. The morphological properties of clean MACR, perchlorate-saturated MACR and bio-regenerated MACR samples were determined using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and zeta potential measurements. The adsorption capacities of perchlorate by clean and bio-regenerated MACRs were determined. The density functional theory (DFT) method was employed to evaluate the binding free energies between various anions and ammonium/hydroxy groups...
July 3, 2017: Chemosphere
Chidambar Kulkarni, E W Meijer, Anja R A Palmans
The self-assembly of small and well-defined molecules using noncovalent interactions to generate various nano- and microarchitectures has been extensively studied. Among various architectures, one-dimensional (1-D) nano-objects have garnered significant attention. It has become increasingly evident that a cooperative or nucleation-elongation mechanism of polymerization leads to highly ordered 1-D supramolecular polymers, analogous to shape-persistent biopolymers such as actin. With this in mind, achieving cooperativity in self-assembled structures has been actively pursued with significant success...
July 10, 2017: Accounts of Chemical Research
EunYoung Kim, Inhyo Cho, Eun Joo Kim
PURPOSE: This study investigated the mediating effects of loneliness and depression on the relationship between adult attachment and smartphone addiction in university students. METHODS: A total of 200 university students participated in this study. The data was analysed using descriptive statistics, correlation analysis, and structural equation modeling. RESULTS: There were significant positive relationships between attachment anxiety, loneliness, depression, and smartphone addiction...
June 2017: Asian Nursing Research
Yerbolat Dauletyarov, Andrew R Dixon, Adam A Wallace, Andrei Sanov
Using photoelectron imaging spectroscopy, we characterized the anion of methylglyoxal (X(2)A″ electronic state) and three lowest electronic states of the neutral methylglyoxal molecule: the closed-shell singlet ground state (X(1)A'), the lowest triplet state (a(3)A″), and the open-shell singlet state (A(1)A″). The adiabatic electron affinity (EA) of the ground state, EA(X(1)A') = 0.87(1) eV, spectroscopically determined for the first time, compares to 1.10(2) eV for unsubstituted glyoxal. The EAs (adiabatic attachment energies) of two excited states of methylglyoxal were also determined: EA(a(3)A″) = 3...
July 7, 2017: Journal of Chemical Physics
Nóra Rejtô, Gábor Papp, Judit Molnár
BACKGROUND AND AIMS: The focus of our study was the etiology of obsessive-compulsive disorder from attachment aspects. Our aim was to examine the representations of perceived parental treatment, attachment patterns and the level of emotion regulation of people who suffer from obsessive-compulsive disorder. METHOD: 223 people participated in our study. The clinical group consisted of 92 persons with obsessive-compulsive symptoms, while the control group involved 131 people without OC symptoms...
2017: Psychiatria Hungarica: A Magyar Pszichiátriai Társaság Tudományos Folyóirata
Oday A Al-Owaedi, Sören Bock, David C Milan, Marie-Christine Oerthel, Michael S Inkpen, Dmitry S Yufit, Alexandre N Sobolev, Nicholas J Long, Tim Albrecht, Simon J Higgins, Martin R Bryce, Richard J Nichols, Colin J Lambert, Paul J Low
Metal complexes are receiving increased attention as molecular wires in fundamental studies of the transport properties of metal|molecule|metal junctions. In this context we report the single-molecule conductance of a systematic series of d(8) square-planar platinum(ii) trans-bis(alkynyl) complexes with terminal trimethylsilylethynyl (C[triple bond, length as m-dash]CSiMe3) contacting groups, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H4C[triple bond, length as m-dash]CSiMe3}2(PR3)2 (R = Ph or Et), using a combination of scanning tunneling microscopy (STM) experiments in solution and theoretical calculations using density functional theory and non-equilibrium Green's function formalism...
July 5, 2017: Nanoscale
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