Exact factorization of the time-dependent electron-nuclear wavefunction

We present an exact decomposition of the complete wavefunction for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equations for the nuclear and electronic wavefunctions that lead to rigorous definitions of a time-dependent potential energy surface (TDPES) and a time-dependent geometric phase. For the $H_2^+$ molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.Comment: 4 pages, 2 figure

WISE J064336.71-022315.4: A Thick Disk L8 Gaia DR2-Discovered Brown Dwarf at 13.9 Parsecs

While spectroscopically characterizing nearby ultracool dwarfs discovered in the Gaia Second Data Release with the TripleSpec spectrograph on the Palomar 200'' telescope, we encountered a particularly cool, nearby, new member of the solar neighborhood: Gaia DR2 3106548406384807680 = WISE J064336.71-022315.4 = 2MASS J06433670-0223130. The $\it{Gaia}$ parallax corresponds to a distance of 13.9 $\pm$ 0.3 pc. Using our TripleSpec spectrum we classify W0643 as spectral type L8, and measured a heliocentric radial velocity of 142 $\pm$ 12 km s$^{-1}$. When combined with $\it{Gaia}$ astrometry, we determine a Galactic velocity (heliocentric; $U$ towards Galactic center) of $U, V, W$ = -109, -91, -12 ($\pm$10, 5, 3) km s$^{-1}$. We estimate that W0643 passed within $\sim$1.4 pc away from the Sun $\sim$100,000 years ago

Dose-response of sodium bicarbonate ingestion highlights individuality in time course of blood analyte responses

To defend against hydrogen cation accumulation and muscle fatigue during exercise, sodium 20 bicarbonate (NaHCO3) ingestion is commonplace. The individualised dose-response relationship 21 between NaHCO3 ingestion and blood biochemistry is unclear. The present study investigated the 22 bicarbonate, pH, base excess and sodium responses to NaHCO3 ingestion. Sixteen healthy males (23±2 23 years; 78.6±15.1 kg) attended three randomised order-balanced, non-blinded sessions, ingesting a single 24 dose of either 0.1, 0.2 or 0.3 g.kg-1BM of NaHCO3 (Intralabs, UK). Fingertip capillary blood was 25 obtained at baseline and every 10 min for 1 h, then every 15 min for a further 2 h. There was a significant 26 main effect of both time and condition for all assessed blood analytes (P≤0.001). Blood analyte 27 responses were significantly lower following 0.1 g.kg-1BM compared with 0.2 g.kg-1BM; bicarbonate 28 concentrations and base excess were highest following ingestion of 0.3 g.kg-1BM (P≤0.01). Bicarbonate 29 concentrations and pH significantly increased from baseline following all doses; the higher the dose the 30 greater the increase. Large inter-individual variability was shown in the magnitude of the increase in 31 bicarbonate concentrations following each dose (+2.0-5; +5.1-8.1; and +6.0-12.3 mmol·L-1 for 0.1, 0.2 32 and 0.3 g.kg-1BM) and in the range of time to peak concentrations (30-150; 40-165; and 75-180 min for 33 0.1, 0.2 and 0.3 g.kg-1BM). The variability in bicarbonate responses was not affected by normalisation 34 to body mass. These results challenge current practices relating to NaHCO3 supplementation and clearly 35 show the need for athletes to individualise their ingestion protocol and trial varying dosages prior to 36 competition

Sustained Exposure to the Widely Used Herbicide Atrazine: Altered Function and Loss of Neurons in Brain Monoamine Systems

The widespread use of atrazine (ATR) and its persistence in the environment have resulted in documented human exposure. Alterations in hypothalamic catecholamines have been suggested as the mechanistic basis of the toxicity of ATR to hormonal systems in females and the reproductive tract in males. Because multiple catecholamine systems are present in the brain, however, ATR could have far broader effects than are currently understood. Catecholaminergic systems such as the two major long-length dopaminergic tracts of the central nervous system play key roles in mediating a wide array of critical behavioral functions. In this study we examined the hypothesis that ATR would adversely affect these brain dopaminergic systems. Male rats chronically exposed to 5 or 10 mg/kg ATR in the diet for 6 months exhibited persistent hyperactivity and altered behavioral responsivity to amphetamine. Moreover, when measured 2 weeks after the end of exposure, the levels of various monoamines and the numbers of tyrosine hydroxylase-positive (TH(+)) and -negative (TH(−)) cells measured using unbiased stereology were reduced in both dopaminergic tracts. Acute exposures to 100 or 200 mg/kg ATR given intraperitoneally to evaluate potential mechanisms reduced both basal and potassium-evoked striatal dopamine release. Collectively, these studies demonstrate that ATR can produce neurotoxicity in dopaminergic systems that are critical to the mediation of movement as well as cognition and executive function. Therefore, ATR may be an environmental risk factor contributing to dopaminergic system disorders, underscoring the need for further investigation of its mechanism(s) of action and corresponding assessment of its associated human health risks

Quality of Life and Menopause in Women with Physical Disabilities

Objective: The goal of this cross-sectional study was to explore quality of life (QOL) in a sample of postmenopausal women with physical disabilities due to polio contracted in childhood. A structural equation model was used to confirm that menopause symptoms will have a minimal effect on QOL when disability-related variables are taken into account. Methods: A sample of 752 women who were postmenopausal completed a written survey. The structural equation model contained two measured predictors (age, severity of postpolio sequelae) and one latent predictor (menopause symptoms defined by four measured indicators). Functional status (defined by two measured indicators) was included as a mediator, with QOL (defined by three measured indicators) as the outcome. Results: The original model yielded acceptable fit indices (CFI = 0.96, RMSEA = 0.055) but resulted in a number of unexpected relationships that proved to be artifacts after model respecification. The respecified model yielded a nonsignificant chi-square value, which indicated no significant discrepancy between the proposed model and the observed data (chisquare = 18.5, dƒ = 13, p = 0.138). All fit indices indicated a good fit: CFI = 0.997, NNFI = 0.987, chi-square/dƒ = 1.43, and RMSEA = 0.024. Conclusions: When the effects of postpolio sequelae and functional status are included in the structural equation model, only the psychological symptoms of menopause play a prominent role in explaining QOL in this sample. The clinical implications of these findings suggest that attention to psychological symptoms and an exclusive focus on the physical aspects of menopause to the exclusion of other midlife life stressors and influences on a woman’s psychological well-being ignore the larger context of life in which they live. In particular, many women with disabilities may contend with additional or exacerbated stressors related to their disability.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/63153/1/jwh.2006.15.1014.pd

Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage.

The synthesis of a new porous organic cage decorated with isopropyl moieties (CC21) was achieved from the reaction of triformylbenzene and an isopropyl functionalised diamine. Unlike structurally analogous porous organic cages, its synthesis proved challenging due to competitive aminal formation, rationalised using control experiments and computational modelling. The use of an additional amine was found to increase conversion to the desired cage

From concept to crystals via prediction: multi‐component organic cage pots by social self‐sorting

We describe the a priori computational prediction and realization of multi‐component cage pots, starting with molecular predictions based on candidate precursors through to crystal structure prediction and synthesis using robotic screening. The molecules were formed by the social self‐sorting of a tri‐topic aldehyde with both a tri‐topic amine and di‐topic amine, without using orthogonal reactivity or precursors of the same topicity. Crystal structure prediction suggested a rich polymorphic landscape, where there was an overall preference for chiral recognition to form heterochiral rather than homochiral packings, with heterochiral pairs being more likely to pack window‐to‐window to form two‐component capsules. These crystal packing preferences were then observed in experimental crystal structures

The diagnosis of mental disorders: the problem of reification

A pressing need for interrater reliability in the diagnosis of mental disorders emerged during the mid-twentieth century, prompted in part by the development of diverse new treatments. The Diagnostic and Statistical Manual of Mental Disorders (DSM), third edition answered this need by introducing operationalized diagnostic criteria that were field-tested for interrater reliability. Unfortunately, the focus on reliability came at a time when the scientific understanding of mental disorders was embryonic and could not yield valid disease definitions. Based on accreting problems with the current DSM-fourth edition (DSM-IV) classification, it is apparent that validity will not be achieved simply by refining criteria for existing disorders or by the addition of new disorders. Yet DSM-IV diagnostic criteria dominate thinking about mental disorders in clinical practice, research, treatment development, and law. As a result, the modernDSMsystem, intended to create a shared language, also creates epistemic blinders that impede progress toward valid diagnoses. Insights that are beginning to emerge from psychology, neuroscience, and genetics suggest possible strategies for moving forward

Letters and records of the dissenting congregations: David Crosley, Cripplegate and Baptist Church life

The original publication is available at www.springerlink.comInternational audienceThis chapter examines the status and function of letters in manuscript records of dissenting Churches of the post-Toleration years, concentrating on the correspondence of the Baptist Church of Cripplegate. The letters are placed in the context of controversies about Church government and discipline and the rhetoric used during the scandal caused by the excommunication of its Northern minister David Crosley for drinking, lying and adultery is assessed. In doing so, the chapter pays particular attention to the epistolary exchanges between metropolitan and provincial congregations and to what they reveal about conceptions of the Baptist ministry