24 research outputs found
The low-lying excitations of polydiacetylene
The Pariser-Parr-Pople Hamiltonian is used to calculate and identify the
nature of the low-lying vertical transition energies of polydiacetylene. The
model is solved using the density matrix renormalisation group method for a
fixed acetylenic geometry for chains of up to 102 atoms. The non-linear optical
properties of polydiacetylene are considered, which are determined by the
third-order susceptibility. The experimental 1Bu data of Giesa and Schultz are
used as the geometric model for the calculation. For short chains, the
calculated E(1Bu) agrees with the experimental value, within solvation effects
(ca. 0.3 eV). The charge gap is used to characterise bound and unbound states.
The nBu is above the charge gap and hence a continuum state; the 1Bu, 2Ag and
mAg are not and hence are bound excitons. For large chain lengths, the nBu
tends towards the charge gap as expected, strongly suggesting that the nBu is
the conduction band edge. The conduction band edge for PDA is agreed in the
literature to be ca. 3.0 eV. Accounting for the strong polarisation effects of
the medium and polaron formation gives our calculated E(nBu) ca. 3.6 eV, with
an exciton binding energy of ca. 1.0 eV. The 2Ag state is found to be above the
1Bu, which does not agree with relaxed transition experimental data. However,
this could be resolved by including explicit lattice relaxation in the Pariser-
Parr-Pople-Peierls model. Particle-hole separation data further suggest that
the 1Bu, 2Ag and mAg are bound excitons, and that the nBu is an unbound
exciton.Comment: LaTeX, 23 pages, 4 postscript tables and 8 postscript figure
Analytical solutions to the third-harmonic generation in trans-polyacetylene: Application of dipole-dipole correlation on the single electron models
The analytical solutions for the third-harmonic generation (THG) on infinite
chains in both Su-Shrieffer-Heeger (SSH) and Takayama-Lin-Liu-Maki (TLM) models
of trans-polyacetylene are obtained through the scheme of dipole-dipole ()
correlation. They are not equivalent to the results obtained through static
current-current () correlation or under polarization operator
. The van Hove singularity disappears exactly in the analytical forms,
showing that the experimentally observed two-photon absorption peak (TPA) in
THG may not be directly explained by the single electron models.Comment: 10 pages, 4 figures, submitted to Phys. Rev.
What are the experimentally observable effects of vertex corrections in superconductors?
We calculate the effects of vertex corrections, of non-constant density of
states and of a (self-consistently determined) phonon self-energy for the
Holstein model on a 3D cubic lattice. We replace vertex corrections with a
Coulomb pseudopotential, mu*, adjusted to give the same Tc, and repeat the
calculations, to see which effects are a distinct feature of vertex
corrections. This allows us to determine directly observable effects ofvertex
corrections on a variety of thermodynamic properties of superconductors. To
this end, we employ conserving approximations (in the local approximation) to
calculate the superconducting critical temperatures, isotope coefficients,
superconducting gaps, free-energy differences and thermodynamic critical fields
for a range of parameters. We find that the dressed value of lambda is
significantly larger than the bare value. While vertex corrections can cause
significant changes in all the above quantities (even whenthe bare
electron-phonon coupling is small), the changes can usually be well-modeled by
an appropriate Coulomb pseudopotential. The isotope coefficient proves to be
the quantity that most clearly shows effects of vertex corrections that can not
be mimicked by a mu*.Comment: 28 pages, 12 figure
Attention training for infants at familial risk of ADHD (INTERSTAARS): study protocol for a randomised controlled trial
Background: Attention deficit hyperactivity disorder (ADHD) is a prevalent neurodevelopmental disorder that can
negatively impact on an individual’s quality of life. It is pathophysiologically complex and heterogeneous with
different neuropsychological processes being impaired in different individuals. Executive function deficits, including
those affecting attention, working memory and inhibitory control, are common. Cognitive training has been promoted
as a treatment option, based on the notion that by strengthening the neurocognitive networks underlying these
executive processes, ADHD symptoms will also be reduced. However, if implemented in childhood or later, when the
full disorder has become well-established, cognitive training has only limited value. INTERSTAARS is a trial designed to
test a novel approach to intervention, in which cognitive training is implemented early in development, before the
emergence of the disorder. The aim of INTERSTAARS is to train early executive skills, thereby increasing resilience and
reducing later ADHD symptoms and associated impairment.
Methods/design: Fifty 10–14-month-old infants at familial risk of ADHD will participate in INTERSTAARS. Infants
will be randomised to an intervention or a control group. The intervention aims to train early attention skills
by using novel eye-tracking technology and gaze-contingent training paradigms. Infants view animated games
on a screen and different events take place contingent on where on the screen the infant is looking. Infants
allocated to the intervention will receive nine weekly home-based attention training sessions. Control group
infants will also receive nine weekly home visits, but instead of viewing the training games during these visits
they will view non-gaze-contingent age-appropriate videos. At baseline and post treatment, infant attention
control will be assessed using a range of eye-tracking, observational, parent-report and neurophysiological
measures. The primary outcome will be a composite of eye-tracking tasks used to assess infant attention skills.
Follow-up data will be collected on emerging ADHD symptoms when the infants are 2 and 3 years old.
Discussion: This is the first randomised controlled trial to assess the potential efficacy of cognitive training as
a prevention measure for infants at familial risk of ADHD. If successful, INTERSTAARS could offer a promising
new approach for developing early interventions for ADHD.
Trial registration: International Standard Randomised Controlled Trial registry: ISRCTN37683928. Registered on
22 June 2015
The study of women, infant feeding and type 2 diabetes after GDM pregnancy and growth of their offspring (SWIFT Offspring study): prospective design, methodology and baseline characteristics
Abstract Background Breastfeeding is associated with reduced risk of becoming overweight or obese later in life. Breastfed babies grow more slowly during infancy than formula-fed babies. Among offspring exposed in utero to maternal glucose intolerance, prospective data on growth during infancy have been unavailable. Thus, scientific evidence is insufficient to conclude that breastfeeding reduces the risk of obesity among the offspring of diabetic mothers (ODM). To address this gap, we devised the Study of Women, Infant Feeding and Type 2 Diabetes after GDM Pregnancy and Growth of their Offspring, also known as the SWIFT Offspring Study. This prospective, longitudinal study recruited mother-infant pairs from the SWIFT Study, a prospective study of women with recent gestational diabetes mellitus (GDM). The goal of the SWIFT Offspring Study is to determine whether breastfeeding intensity and duration, compared with formula feeding, are related to slower growth of GDM offspring during the first year life. This article details the study design, participant eligibility, data collection, and methodologies. We also describe the baseline characteristics of the GDM mother-infant pairs. Methods The study enrolled 466 mother-infant pairs among GDM deliveries in northern California from 2009–2011. Participants attended three in-person study exams at 6–9 weeks, 6 months and 12 months after delivery for infant anthropometry (head circumference, body weight, length, abdominal circumference and skinfold thicknesses), as well as maternal anthropometry (body weight, waist circumference and percent body fat). Mothers also completed questionnaires on health and lifestyle behaviors, including infant diet, sleep and temperament. Breastfeeding intensity and duration were assessed via several sources (diaries, telephone interviews, monthly mailings and in-person exams) from birth through the first year of life. Pregnancy course, clinical perinatal and newborn outcomes were obtained from health plan electronic medical records. Infant saliva samples were collected and stored for genetics studies. Discussion This large, racially and ethnically diverse cohort of GDM offspring will enable evaluation of the relationship of infant feeding to growth during infancy independent of perinatal characteristics, sociodemographics and other risk factors. The longitudinal design provides the first quantitative measures of breastfeeding intensity and duration among GDM offspring during early life
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Caregivers' depressive symptoms and parent-report of child executive function among young children in Uganda
Maternal mental health (particularly depression) may influence how they report on their child’s behavior. Few research studies have focused on Sub-Saharan countries where pediatric HIV concentrates and impacts child neuropsychological development and caregiver mental health. We investigated the associations between caregivers’ depressive symptoms and neuropsychological outcomes in HIV-infected (n=118) and HIV-exposed (n=164) Ugandan children aged 2–5 years. We compared performance-based tests of development (Mullen Scales of Early Learning, Color Object Association Test), to a caregiver report of executive function (Behavior Rating Inventory of Executive Function, BRIEF). Caregivers were assessed with Hopkins Symptom Checklist-25 depression subscale. The associations between all BRIEF indices and caregiver’s depression symptoms were differential according to child’s HIV status. Caregivers with greater depressive symptoms reported their HIV-infected children as having more behavioral problems related to executive functioning. Assessment of behavior of HIV-infected children should incorporate a variety of sources of information and screening of caregiver mental health