Initial-state dependence in time-dependent density functional theory

Time-dependent density functionals in principle depend on the initial state of the system, but this is ignored in functional approximations presently in use. For one electron it is shown there is no initial-state dependence: for any density, only one initial state produces a well-behaved potential. For two non-interacting electrons with the same spin in one-dimension, an initial potential that makes an alternative initial wavefunction evolve with the same density and current as a ground state is calculated. This potential is well-behaved and can be made arbitrarily different from the original potential

Spin currents and spin dynamics in time-dependent density-functional theory

We derive and analyse the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). Results are (i) a prescription for obtaining many-body corrections to the single-particle spin currents from the Kohn-Sham equation of TD-SDFT, (ii) the existence of an exchange-correlation (xc) torque within TD-SDFT, (iii) a prescription for calculating, from TD-SDFT, the torque exerted by spin currents on the spin magnetization, (iv) a novel exact constraint on approximate xc functionals, and (v) the discovery of serious deficiencies of popular approximations to TD-SDFT when applied to spin dynamics.Comment: now includes discussion of OEP and GGA; to appear in Phys. Rev. Let

Design and Implementation of a Studio-Based General Chemistry Course

Most students taking general chemistry courses do not intend to pursue careers in chemistry; in fact, they are more likely to end up in positions where they fund, write, or vote for chemical research and policies. Our profession continues to ask how we can teach students scientific reasoning skills and chemical understanding in general chemistry that they are able to take beyond the classroom into their everyday lives. The emerging answer at this university is the studio teaching method, which incorporates the “best teaching and learning practices†recommended by chemical education research within an integrated lecture–lab technology-intensive environment. The design, implementation, and pedagogical rationale of studio general chemistry are described

Diabetes Distress but Not Clinical Depression or Depressive Symptoms Is Associated With Glycemic Control in Both Cross-Sectional and Longitudinal Analyses

ObjectiveTo determine the concurrent, prospective, and time-concordant relationships among major depressive disorder (MDD), depressive symptoms, and diabetes distress with glycemic control.Research design and methodsIn a noninterventional study, we assessed 506 type 2 diabetic patients for MDD (Composite International Diagnostic Interview), for depressive symptoms (Center for Epidemiological Studies-Depression), and for diabetes distress (Diabetes Distress Scale), along with self-management, stress, demographics, and diabetes status, at baseline and 9 and 18 months later. Using multilevel modeling (MLM), we explored the cross-sectional relationships of the three affective variables with A1C, the prospective relationships of baseline variables with change in A1C over time, and the time-concordant relationships with A1C.ResultsAll three affective variables were moderately intercorrelated, although the relationship between depressive symptoms and diabetes distress was greater than the relationship of either with MDD. In the cross-sectional MLM, only diabetes distress but not MDD or depressive symptoms was significantly associated with A1C. None of the three affective variables were linked with A1C in prospective analyses. Only diabetes distress displayed significant time-concordant relationships with A1C.ConclusionsWe found no concurrent or longitudinal association between MDD or depressive symptoms with A1C, whereas both concurrent and time-concordant relationships were found between diabetes distress and A1C. What has been called "depression" among type 2 diabetic patients may really be two conditions, MDD and diabetes distress, with only the latter displaying significant associations with A1C. Ongoing evaluation of both diabetes distress and MDD may be helpful in clinical settings

2020 APTA Combined Sections Meeting Scientific Poster Presentation: How Well Do Clinical Walking Measures Predict Natural Walking Behavior In Parkinson Disease?

Declines in the amount and intensity of natural walking behavior in people with Parkinson disease (PD) may precede declines in motor behavior, gait, and balance. Physical interventions targeting walking behavior in PD may have the greatest impact on slowing the progression of disability. Despite a lack of supporting evidence, however, clinicians may be more likely to rely on quick performance measures of walking speed, capacity, and balance to make inferences about a patient’s walking health, rather than direct measures of natural walking behavior. Our primary purpose, therefore, was to examine the extent to which clinical walking measures might predict natural walking behavior in early to mid-stage PD. Secondarily we sought to explore differences in the predictive capability of clinical measures between relatively less active and more active participants.https://dune.une.edu/pt_facpost/1006/thumbnail.jp

Updated Poster Presentation Abstract (n = 58) From 2020 Combined Sections Meeting Of The American Physical Therapy Association: How Well Do Clinical Walking Measures Predict Natural Walking Behavior In Parkinson Disease?

Declines in the amount and intensity of natural walking behavior in people with Parkinson disease (PD) may precede declines in motor behavior, gait, and balance. Physical interventions targeting walking behavior in PD may have the greatest impact on slowing the progression of disability. Despite a lack of supporting evidence, however, clinicians may be more likely to rely on quick performance measures of walking speed, capacity, and balance to make inferences about a patient’s walking health, rather than direct measures of natural walking behavior. Our primary purpose, therefore, was to examine the extent to which clinical walking measures might predict natural walking behavior in early to mid-stage PD. Secondarily we sought to explore differences in the predictive capability of clinical measures between relatively less active and more active participants

Aspects of the breeding biology of Janaira gracilis Moreira & Pires (Crustacea, Isopoda, Asellota)

The biological aspects of incubating females of Janaira gracilis Mbreira & Pires, are described. The marsupium is formed by 4 pairs of oostegites arising from pereopods I-IV. The oostegites appear for the first time at the post-marsupial stage 7 (preparatory stage 1), growing successively at each moult until stage 9 (brooding stage 1), when they reach fully development. The sizes of the eggs increase with the body size of the females. The number of eggs, per female, is a linear function of the body volume, i.e., the fecundity increases with the female's body size. The number of eggs, embryos and juveniles decrease during the marsupial development. This decrease in brood number is higher between the last two marsupial stages, i.e., from stage C to D, than between the preceding marsupial stages. The average and overall brood mortality rate is of 38.95%.São descritos, no presente trabalho, vários aspectos relacionados à biologia de fêmeas grávidas de Janaira gracilis Moreira & Pires. O marsúpio é formado por 4 pares de oostégitos, que partem dos pereópodos I-IV. Os oostégitos, que surgem pela primeira vez no estádio 7 do desenvolvimento pós-marsupial (estágio preparatório 1), crescem nas sucessivas mudas, atingindo no estágio 9 (estágio reprodutor 1) seu pleno desenvolvimento. O tamanho dos ovos é proporcional ao tamanho das fêmeas. O número de ovos, por fêmeas, e proporcional ao volume das fêmeas, isto é, a fecundidade é mais elevada nos exemplares de maior comprimento. O número de ovos, embriões e jovens decresce com o desenvolvimento marsupial, sendo este decréscimo maior entre os dois últimos estágios marsupials (i.é., entre os estágios C e D) do que entre os estágios precedentes. A taxa média de mortalidade marsupial é de 38.95%