Mitomycin C and decarbamoyl mitomycin C induce p53-independent p21WAF1/CIP1 activation

PubMed Central

Cheng, Shu-Yuan; Seo, Jiwon; Huang, Bik Tzu; Napolitano, Tanya; Champeil, Elise

2016-01-01

Mitomycin C (MC), a commonly used anticancer drug, induces DNA damage via DNA alkylation. Decarbamoyl mitomycin C (DMC), another mitomycin lacking the carbamate at C10, generates similar lesions as MC. Interstrand cross-links (ICLs) are believed to be the lesions primarily responsible for the cytotoxicity of MC and DMC. The major ICL generated by MC (α-ICL) has a trans stereochemistry at the guanine-drug linkage whereas the major ICL from DMC (β-ICL) has the opposite, cis, stereochemistry. In addition, DMC can provoke strong p53-independent cell death. Our hypothesis is that the stereochemistry of the major unique β-ICL generated by DMC is responsible for this p53-independent cell death signaling. p53 gene is inactively mutated in more than half of human cancers. p21WAF1/CIP1 known as a major effector of p53 is involved in p53-dependent and -independent control of cell proliferation and death. This study revealed the role of p21WAF1/CIP1 on MC and DMC triggered cell damage. MCF-7 (p53-proficient) and K562 (p53-deficient) cells were used. Cell cycle distributions were shifted to the G1/S phase in MCF-7 treated with MC and DMC, but were shifted to the S phase in K562. p21WAF1/CIP1 activation was observed in both cells treated with MC and DMC, and DMC triggered more significant activation. Knocking down p53 in MCF-7 did not attenuate MC and DMC induced p21WAF1/CIP1 activation. The α-ICL itself was enough to cause p21WAF1/CIP1 activation. PMID:27666201

SSTL UK-DMC SLIM-6 data quality assessment

USGS Publications Warehouse

Chander, G.; Saunier, S.; Choate, M.J.; Scaramuzza, P.L.

2009-01-01

Satellite data from the Surrey Satellite Technology Limited (SSTL) United Kingdom (UK) Disaster Monitoring Constellation (DMC) were assessed for geometric and radiometric quality. The UK-DMC Surrey Linear Imager 6 (SLIM-6) sensor has a 32-m spatial resolution and a ground swath width of 640 km. The UK-DMC SLIM-6 design consists of a three-band imager with green, red, and near-infrared bands that are set to similar bandpass as Landsat bands 2, 3, and 4. The UK-DMC data consisted of imagery registered to Landsat orthorectified imagery produced from the GeoCover program. Relief displacements within the UK-DMC SLIM-6 imagery were accounted for by using global 1-km digital elevation models available through the Global Land One-km Base Elevation (GLOBE) Project. Positional accuracy and relative band-to-band accuracy were measured. Positional accuracy of the UK-DMC SLIM-6 imagery was assessed by measuring the imagery against digital orthophoto quadrangles (DOQs), which are designed to meet national map accuracy standards at 1 : 24 000 scales; this corresponds to a horizontal root-mean-square accuracy of about 6 m. The UK-DMC SLIM-6 images were typically registered to within 1.0-1.5 pixels to the DOQ mosaic images. Several radiometric artifacts like striping, coherent noise, and flat detector were discovered and studied. Indications are that the SSTL UK-DMC SLIM-6 data have few artifacts and calibration challenges, and these can be adjusted or corrected via calibration and processing algorithms. The cross-calibration of the UK-DMC SLIM-6 and Landsat 7 Enhanced Thematic Mapper Plus was performed using image statistics derived from large common areas observed by the two sensors.

Spectroscopic Analysis of Temporal Changes in Leaf Moisture and Dry Matter Content

NASA Astrophysics Data System (ADS)

Qi, Y.; Dennison, P. E.; Brewer, S.; Jolly, W. M.; Kropp, R.

2013-12-01

Live fuel moisture (LFM), the ratio of water content to dry matter content (DMC) in live fuel, is critical for determining fire danger and behavior. Remote sensing estimation of LFM often relies on an assumption of changing water content and stable DMC over time. In order to advance understanding of temporal variation in LFM and DMC, we collected field samples and spectroscopic data for two species, lodgepole pine (Pinus contorta) and big sagebrush (Artemisia tridentata), to explore seasonal trends and spectral expression of these trends. New and old needles were measured separately for lodgepole pine. All samples were measured using a visible/NIR/SWIR spectrometer, and coincident samples were processed to provide LFM, DMC, water content and chemical components including structural and non-structural carbohydrates. New needles initially exhibited higher LFM and a smaller proportion of DMC, but differences between new and old needles converged as the new needles hardened. DMC explained more variation in LFM than water content for new pine needles and sagebrush leaves. Old pine needles transported non-structural carbohydrates to new needles to accumulate DMC during the growth season, resulting decreasing LFM in new needles. DMC and water content co-varied with vegetation chemical components and physical structure. Spectral variation in response to changing DMC is difficulty to isolate from the spectral signatures of multiple chemical components. Partial least square regression combined with hyperspectral data may increase modeling performance in LFM estimation.

Dmc1 catalyzes interhomolog joint molecule formation in meiosis with Rad51 and Mei5-Sae3 as accessory factors

PubMed Central

Cloud, Veronica; Chan, Yuen-Ling; Grubb, Jennifer; Budke, Brian; Bishop, Douglas K.

2014-01-01

Meiotic recombination in budding yeast requires two RecA-related proteins, Rad51 and Dmc1, both of which form filaments on DNA capable of directing homology search and catalyzing formation of homologous joint molecules (JMs) and strand exchange. Using a separation-of-function mutant form of Rad51, that retains filament-forming but not JM forming activity, we show that the JM activity of Rad51 is fully dispensable for meiotic recombination. The corresponding mutation in Dmc1 causes a profound recombination defect, demonstrating Dmc1’s JM activity alone is responsible for meiotic recombination. We further provide biochemical evidence that Rad51 acts with Mei5-Sae3 as a Dmc1 accessory factor. Thus, Rad51 is a multifunctional protein that catalyzes recombination directly in mitosis and indirectly, via Dmc1, during meiosis. PMID:22955832

Rad51 is an accessory factor for Dmc1-mediated joint molecule formation during meiosis.

PubMed

Cloud, Veronica; Chan, Yuen-Ling; Grubb, Jennifer; Budke, Brian; Bishop, Douglas K

2012-09-07

Meiotic recombination in budding yeast requires two RecA-related proteins, Rad51 and Dmc1, both of which form filaments on DNA capable of directing homology search and catalyzing formation of homologous joint molecules (JMs) and strand exchange. With use of a separation-of-function mutant form of Rad51 that retains filament-forming but not JM-forming activity, we show that the JM activity of Rad51 is fully dispensable for meiotic recombination. The corresponding mutation in Dmc1 causes a profound recombination defect, demonstrating Dmc1's JM activity alone is responsible for meiotic recombination. We further provide biochemical evidence that Rad51 acts with Mei5-Sae3 as a Dmc1 accessory factor. Thus, Rad51 is a multifunctional protein that catalyzes recombination directly in mitosis and indirectly, via Dmc1, during meiosis.

Tolerance of DNA Mismatches in Dmc1 Recombinase-mediated DNA Strand Exchange.

PubMed

Borgogno, María V; Monti, Mariela R; Zhao, Weixing; Sung, Patrick; Argaraña, Carlos E; Pezza, Roberto J

2016-03-04

Recombination between homologous chromosomes is required for the faithful meiotic segregation of chromosomes and leads to the generation of genetic diversity. The conserved meiosis-specific Dmc1 recombinase catalyzes homologous recombination triggered by DNA double strand breaks through the exchange of parental DNA sequences. Although providing an efficient rate of DNA strand exchange between polymorphic alleles, Dmc1 must also guard against recombination between divergent sequences. How DNA mismatches affect Dmc1-mediated DNA strand exchange is not understood. We have used fluorescence resonance energy transfer to study the mechanism of Dmc1-mediated strand exchange between DNA oligonucleotides with different degrees of heterology. The efficiency of strand exchange is highly sensitive to the location, type, and distribution of mismatches. Mismatches near the 3' end of the initiating DNA strand have a small effect, whereas most mismatches near the 5' end impede strand exchange dramatically. The Hop2-Mnd1 protein complex stimulates Dmc1-catalyzed strand exchange on homologous DNA or containing a single mismatch. We observed that Dmc1 can reject divergent DNA sequences while bypassing a few mismatches in the DNA sequence. Our findings have important implications in understanding meiotic recombination. First, Dmc1 acts as an initial barrier for heterologous recombination, with the mismatch repair system providing a second level of proofreading, to ensure that ectopic sequences are not recombined. Second, Dmc1 stepping over infrequent mismatches is likely critical for allowing recombination between the polymorphic sequences of homologous chromosomes, thus contributing to gene conversion and genetic diversity. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Tolerance of DNA Mismatches in Dmc1 Recombinase-mediated DNA Strand Exchange*

PubMed Central

Borgogno, María V.; Monti, Mariela R.; Zhao, Weixing; Sung, Patrick; Argaraña, Carlos E.; Pezza, Roberto J.

2016-01-01

Recombination between homologous chromosomes is required for the faithful meiotic segregation of chromosomes and leads to the generation of genetic diversity. The conserved meiosis-specific Dmc1 recombinase catalyzes homologous recombination triggered by DNA double strand breaks through the exchange of parental DNA sequences. Although providing an efficient rate of DNA strand exchange between polymorphic alleles, Dmc1 must also guard against recombination between divergent sequences. How DNA mismatches affect Dmc1-mediated DNA strand exchange is not understood. We have used fluorescence resonance energy transfer to study the mechanism of Dmc1-mediated strand exchange between DNA oligonucleotides with different degrees of heterology. The efficiency of strand exchange is highly sensitive to the location, type, and distribution of mismatches. Mismatches near the 3′ end of the initiating DNA strand have a small effect, whereas most mismatches near the 5′ end impede strand exchange dramatically. The Hop2-Mnd1 protein complex stimulates Dmc1-catalyzed strand exchange on homologous DNA or containing a single mismatch. We observed that Dmc1 can reject divergent DNA sequences while bypassing a few mismatches in the DNA sequence. Our findings have important implications in understanding meiotic recombination. First, Dmc1 acts as an initial barrier for heterologous recombination, with the mismatch repair system providing a second level of proofreading, to ensure that ectopic sequences are not recombined. Second, Dmc1 stepping over infrequent mismatches is likely critical for allowing recombination between the polymorphic sequences of homologous chromosomes, thus contributing to gene conversion and genetic diversity. PMID:26709229

Quantitative trait loci controlling cyanogenic glucoside and dry matter content in cassava (Manihot esculenta Crantz) roots.

PubMed

Balyejusa Kizito, Elizabeth; Rönnberg-Wästljung, Ann-Christin; Egwang, Thomas; Gullberg, Urban; Fregene, Martin; Westerbergh, Anna

2007-09-01

Cassava (Manihot esculenta Crantz) is a starchy root crop grown in the tropics mainly by small-scale farmers even though agro-industrial processing is rapidly increasing. For this processing market improved varieties with high dry matter root content (DMC) is required. Potentially toxic cyanogenic glucosides are synthesized in the leaves and translocated to the roots. Selection for varieties with low cyanogenic glucoside potential (CNP) and high DMC is among the principal objectives in cassava breeding programs. However, these traits are highly influenced by the environmental conditions and the genetic control of these traits is not well understood. An S(1) population derived from a cross between two bred cassava varieties (MCOL 1684 and Rayong 1) that differ in CNP and DMC was used to study the heritability and genetic basis of these traits. A broad-sense heritability of 0.43 and 0.42 was found for CNP and DMC, respectively. The moderate heritabilities for DMC and CNP indicate that the phenotypic variation of these traits is explained by a genetic component. We found two quantitative trait loci (QTL) on two different linkage groups controlling CNP and six QTL on four different linkage groups controlling DMC. One QTL for CNP and one QTL for DMC mapped near each other, suggesting pleiotrophy and/or linkage of QTL. The two QTL for CNP showed additive effects while the six QTL for DMC showed additive effect, dominance or overdominance. This study is a first step towards developing molecular marker tools for efficient breeding of CNP and DMC in cassava.

Construction and development of IGP DMC of China National Seismological Network

NASA Astrophysics Data System (ADS)

Zheng, X.; Zheng, J.; Lin, P.; Yao, Z.; Liang, J.

2011-12-01

In 2003, CEA (China Earthquake Administration) commenced the construction of China Digital Seismological Observation Network. By the end of 2007, a new-generation digital seismological observation system had been established, which consists of 1 National Seismic Network, 32 regional seismic networks, 2 small-aperture seismic arrays, 6 volcano monitoring networks and 19 mobile seismic networks, as well as CENC (China Earthquake Network Center) DMC (Data Management Centre) and IGP (Institute of Geophysics) DMC. Since then, the seismological observation system of China has completely entered a digital time. For operational, data backup and data security considerations, the DMC at the Institute of Geophysics (IGP), CEA was established at the end of 2007. IGP DMC now receives and archives waveform data from more than 1000 permanent seismic stations around China in real-time. After the great Wenchuan and Yushu earthquakes, the real-time waveform data from 56 and 8 portable seismic stations deployed in the aftershock area are added to IGP DMC. The technical system of IGP DMC is designed to conduct data management, processing and service through the network of CEA. We developed and integrated a hardware system with high-performance servers, large-capacity disc arrays, tape library and other facilities, as well as software packages for real-time waveform data receiving, storage, quality control, processing and service. Considering the demands from researchers for large quantities of seismic event waveform data, IGP DMC adopts an innovative "user order" method to extract event waveform data. Users can specify seismic stations, epicenter distance and record length. In a short period of 3 years, IGP DMC has supplied about 350 Terabytes waveform data to over 200 researches of more than 40 academic institutions. According to incomplete statistics, over 40 papers have been published in professional journals, in which 30 papers were indexed by SCI. Now, IGP DMC has become an important platform of promoting seismological researches in China. In the future, IGP DMC will continue to improve its technical system with powerful ability of waveform data processing, management and service, and to provide better and more data service to the research community. We expect IGP DMC to become an exchange and collaboration platform for geo-scientific researchers around the world.

Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene

NASA Astrophysics Data System (ADS)

Kadioglu, Yelda; Santana, Juan A.; Özaydin, H. Duygu; Ersan, Fatih; Aktürk, O. Üzengi; Aktürk, Ethem; Reboredo, Fernando A.

2018-06-01

We have studied the structural stability of monolayer and bilayer arsenene (As) in the buckled (b) and washboard (w) phases with diffusion quantum Monte Carlo (DMC) and density functional theory (DFT) calculations. DMC yields cohesive energies of 2.826(2) eV/atom for monolayer b-As and 2.792(3) eV/atom for w-As. In the case of bilayer As, DMC and DFT predict that AA-stacking is the more stable form of b-As, while AB is the most stable form of w-As. The DMC layer-layer binding energies for b-As-AA and w-As-AB are 30(1) and 53(1) meV/atom, respectively. The interlayer separations were estimated with DMC at 3.521(1) Å for b-As-AA and 3.145(1) Å for w-As-AB. A comparison of DMC and DFT results shows that the van der Waals density functional method yields energetic properties of arsenene close to DMC, while the DFT + D3 method closely reproduced the geometric properties from DMC. The electronic properties of monolayer and bilayer arsenene were explored with various DFT methods. The bandgap values vary significantly with the DFT method, but the results are generally qualitatively consistent. We expect the present work to be useful for future experiments attempting to prepare multilayer arsenene and for further development of DFT methods for weakly bonded systems.

Demethoxycurcumin, a Natural Derivative of Curcumin Abrogates Rotenone-induced Dopamine Depletion and Motor Deficits by Its Antioxidative and Anti-inflammatory Properties in Parkinsonian Rats

PubMed Central

Ramkumar, Muthu; Rajasankar, Srinivasagam; Gobi, Veerapan Venkatesh; Janakiraman, Udaiyappan; Manivasagam, Thamilarasan; Thenmozhi, Arokiasamy Justin; Essa, Musthafa Mohamed; Chidambaram, Ranganathan; Chidambaram, Saravana Babu; Guillemin, Giles J.

2018-01-01

Background: Parkinson's disease (PD) is a progressive neurodegenerative disorder (NDD) associated with the loss of dopaminergic neurons in the substantia nigra and subsequently has an effect on motor function and coordination. The pathology of PD is multifactorial, in which neuroinflammation and oxidative damage are the two of the main protagonists. Objectives: The present study aims to assess the potential antioxidant and anti-inflammatory effects of demethoxycurcumin (DMC), a natural derivative of curcumin, against rotenone-induced PD in rats. Materials and Methods: Rats were randomized and divided into six groups: control, rotenone (0.5 mg/kg/day, intraperitoneal in sunflower oil) treated for 7 days, rotenone and DMC (5, 10, and 20 mg/kg b.w) cotreated, and DMC (20 mg/kg b.w) alone treated groups. Results: Based on the dopamine concentration and biochemical estimations, the effective dose of DMC was selected and the chronic study was performed. At the end of the experimental period, behavioral studies and protein expression patterns of inflammatory markers were analyzed. Rotenone treatment led to motor dysfunctions, neurochemical deficits, and oxidative stress and enhanced expressions of inflammatory markers, whereas oral administration of DMC attenuated all the above. Conclusion: Even though further research is needed to prove its efficacy in clinical trial, the results of our study showed that DMC may offer a promising and new therapeutic lead for the treatment of NDDs including PD. SUMMARY Curcumin and their derivatives have been shown to be potent neuroprotective effectDemethoxycurcumin (DMC) amolerated the rotenone induced behavioural alterationsDMC abrogated the rotenone induced dopamine deficitsDMC attenuated the rotenone induced oxidative stressDMC diminished the rotenone mediated inflammation. Abbreviations used: COX-2: Cyclooxygenase-2; DA: Dopamine; DMC: Demethoxycurcumin; DMRT: Duncan's multiple range test; GSH: Reduced glutathione; GPx: Glutathione peroxidase; IL-1 β: Interleukin-1 β; IL-6: Interleukin-6; iNOS: Inducible nitric oxide synthase; PD: Parkinson's disease; SN: Substantia nigra; SOD: Superoxide dismutase; TBARS: Thiobarbituric acid reactive substances; TNF-α: Tumor necrosis factor-α. PMID:29576695

Capacity in vacuo: an audit of decision-making capacity assessments in a liaison psychiatry service

PubMed Central

Spencer, Benjamin W. J.; Wilson, Gareth; Okon-Rocha, Ewa; Owen, Gareth S.; Wilson Jones, Charlotte

2017-01-01

Aims and method We aimed to audit the documentation of decision-making capacity (DMC) assessments by our liaison psychiatry service against the legal criteria set out in the Mental Capacity Act 2005. We audited 3 months split over a 2-year period occurring before, during and after an educational intervention to staff. Results There were 21 assessments of DMC in month 1 (6.9% of all referrals), 27 (9.7%) in month 16, and 24 (6.6%) in month 21. Only during the intervention (month 16) did any meet our gold-standard (n = 2). Severity of consequences of the decision (odds ratio (OR) 24.4) and not agreeing to the intervention (OR = 21.8) were highly likely to result in lacking DMC. Clinical implications Our audit demonstrated that DMC assessments were infrequent and poorly documented, with no effect of our legally focused educational intervention demonstrated. Our findings of factors associated with the outcome of the assessment of DMC confirm the anecdotal beliefs in this area. Clinicians and service leads need to carefully consider how to make the legal model of DMC more meaningful to clinicians when striving to improve documentation of DMC assessments. PMID:28184310

Capacity in vacuo: an audit of decision-making capacity assessments in a liaison psychiatry service.

PubMed

Spencer, Benjamin W J; Wilson, Gareth; Okon-Rocha, Ewa; Owen, Gareth S; Wilson Jones, Charlotte

2017-02-01

Aims and method We aimed to audit the documentation of decision-making capacity (DMC) assessments by our liaison psychiatry service against the legal criteria set out in the Mental Capacity Act 2005. We audited 3 months split over a 2-year period occurring before, during and after an educational intervention to staff. Results There were 21 assessments of DMC in month 1 (6.9% of all referrals), 27 (9.7%) in month 16, and 24 (6.6%) in month 21. Only during the intervention (month 16) did any meet our gold-standard ( n = 2). Severity of consequences of the decision (odds ratio (OR) 24.4) and not agreeing to the intervention (OR = 21.8) were highly likely to result in lacking DMC. Clinical implications Our audit demonstrated that DMC assessments were infrequent and poorly documented, with no effect of our legally focused educational intervention demonstrated. Our findings of factors associated with the outcome of the assessment of DMC confirm the anecdotal beliefs in this area. Clinicians and service leads need to carefully consider how to make the legal model of DMC more meaningful to clinicians when striving to improve documentation of DMC assessments.

Selective effect of 2',6'-dihydroxy-4'-methoxychalcone isolated from Piper aduncum on Leishmania amazonensis.

PubMed

Torres-Santos, E C; Moreira, D L; Kaplan, M A; Meirelles, M N; Rossi-Bergmann, B

1999-05-01

2',6'-Dihydroxy-4'-methoxychalcone (DMC) was purified from the dichloromethane extract of Piper aduncum inflorescences. DMC showed significant activity in vitro against promastigotes and intracellular amastigotes of Leishmania amazonensis, with 50% effective doses of 0.5 and 24 micrograms/ml, respectively. Its inhibitory effect on amastigotes is apparently a direct effect on the parasites and is not due to activation of the nitrogen oxidative metabolism of macrophages, since the production of nitric oxide by both unstimulated and recombinant gamma interferon-stimulated macrophages was decreased rather than increased with DMC. The phagocytic activity of macrophages was functioning normally even with DMC concentrations as high as 80 micrograms/ml, as seen by electron microscopy and by the uptake of fluorescein isothiocyanate-labeled beads. Ultrastructural studies also showed that in the presence of DMC the mitochondria of promastigotes were enlarged and disorganized. Despite destruction of intracellular amastigotes, no disarrangement of macrophage organelles were observed, even at 80 micrograms of DMC/ml. These observations suggest that DMC is selectively toxic to the parasites. Its simple structure may well enable it to serve as a new lead compound for the synthesis of novel antileishmanial drugs.

p53 Protein interacts specifically with the meiosis-specific mammalian RecA-like protein DMC1 in meiosis.

PubMed

Habu, Toshiyuki; Wakabayashi, Nobunao; Yoshida, Kayo; Yomogida, Kenntaro; Nishimune, Yoshitake; Morita, Takashi

2004-06-01

The tumor suppressor protein p53 is specifically expressed during meiosis in spermatocytes. Subsets of p53 knockout mice exhibit testicular giant cell degenerative syndrome, which suggests p53 may be associated with meiotic cell cycle and/or DNA metabolism. Here, we show that p53 binds to the mouse meiosis-specific RecA-like protein Mus musculus DMC1 (MmDMC1). The C-terminal domain (amino acid 234-340) of MmDMC1 binds to DNA-binding domain of p53 protein. p53 might be involved in homologous recombination and/or checkpoint function by directly binding to DMC1 protein to repress genomic instability in meiotic germ cells.

Decision-making capacity for treatment in psychiatric and medical in-patients: cross-sectional, comparative study†

PubMed Central

Owen, Gareth S.; Szmukler, George; Richardson, Genevra; David, Anthony S.; Raymont, Vanessa; Freyenhagen, Fabian; Martin, Wayne; Hotopf, Matthew

2013-01-01

Background Is the nature of decision-making capacity (DMC) for treatment significantly different in medical and psychiatric patients? Aims To compare the abilities relevant to DMC for treatment in medical and psychiatric patients who are able to communicate a treatment choice. Method A secondary analysis of two cross-sectional studies of consecutive admissions: 125 to a psychiatric hospital and 164 to a medical hospital. The MacArthur Competence Assessment Tool - Treatment and a clinical interview were used to assess decision-making abilities (understanding, appreciating and reasoning) and judgements of DMC. We limited analysis to patients able to express a choice about treatment and stratified the analysis by low and high understanding ability. Results Most people scoring low on understanding were judged to lack DMC and there was no difference by hospital (P = 0.14). In both hospitals there were patients who were able to understand yet lacked DMC (39% psychiatric v. 13% medical in-patients, P<0.001). Appreciation was a better ‘test’ of DMC in the psychiatric hospital (where psychotic and severe affective disorders predominated) (P<0.001), whereas reasoning was a better test of DMC in the medical hospital (where cognitive impairment was common) (P = 0.02). Conclusions Among those with good understanding, the appreciation ability had more salience to DMC for treatment in a psychiatric setting and the reasoning ability had more salience in a medical setting. PMID:23969482

Multi-scale curvature for automated identification of glaciated mountain landscapes

NASA Astrophysics Data System (ADS)

Prasicek, Günther; Otto, Jan-Christoph; Montgomery, David R.; Schrott, Lothar

2014-03-01

Erosion by glacial and fluvial processes shapes mountain landscapes in a long-recognized and characteristic way. Upland valleys incised by fluvial processes typically have a V-shaped cross-section with uniform and moderately steep slopes, whereas glacial valleys tend to have a U-shaped profile with a changing slope gradient. We present a novel regional approach to automatically differentiate between fluvial and glacial mountain landscapes based on the relation of multi-scale curvature and drainage area. Sample catchments are delineated and multiple moving window sizes are used to calculate per-cell curvature over a variety of scales ranging from the vicinity of the flow path at the valley bottom to catchment sections fully including valley sides. Single-scale curvature can take similar values for glaciated and non-glaciated catchments but a comparison of multi-scale curvature leads to different results according to the typical cross-sectional shapes. To adapt these differences for automated classification of mountain landscapes into areas with V- and U-shaped valleys, curvature values are correlated with drainage area and a new and simple morphometric parameter, the Difference of Minimum Curvature (DMC), is developed. At three study sites in the western United States the DMC thresholds determined from catchment analysis are used to automatically identify 5 × 5 km quadrats of glaciated and non-glaciated landscapes and the distinctions are validated by field-based geological and geomorphological maps. Our results demonstrate that DMC is a good predictor of glacial imprint, allowing automated delineation of glacially and fluvially incised mountain landscapes.

Demographics.

PubMed

Gillis, Artha J; Bath, Eraka

2016-01-01

There is a large proportion of minority youth involved in the juvenile justice system. Disproportionate minority contact (DMC) occurs when the proportion of any ethnic group is higher at any given stage in the juvenile justice process than the proportion of this group in the general population. There are several theories explaining the presence and persistence of DMC. This article reviews the history of DMC and the theories and implications of this problem. It discusses several targets for interventions designed to reduce DMC and offer resources in this area. Copyright © 2016 Elsevier Inc. All rights reserved.

A Novel Battery Cathode Material Based on intercalation Chemistry: Redox Reactions of the 2,5-Dimercapto-1,3,4-Thiadiazole/V2O5 Xerogel System

DTIC Science & Technology

1998-06-29

of some interstitial water during intercalation of the disulfide polymer of DMcT. Elemental analysis gives a composition for the intercalation...the disulfide polymer of DMcT. Elemental analysis gives a composition for the intercalation material of [(polyDMcT)o25*V205𔃻.4H20]. The cyclic...13.5 A). This change is consistent with loss of some interstitial water during intercalation of the disulfide polymer of DMcT. Elemental analysis

Selective Effect of 2′,6′-Dihydroxy-4′-Methoxychalcone Isolated from Piper aduncum on Leishmania amazonensis

PubMed Central

Torres-Santos, Eduardo Caio; Moreira, Davyson Lima; Kaplan, Maria Auxiliadora C.; Meirelles, Maria Nazareth; Rossi-Bergmann, Bartira

1999-01-01

2′,6′-Dihydroxy-4′-methoxychalcone (DMC) was purified from the dichloromethane extract of Piper aduncum inflorescences. DMC showed significant activity in vitro against promastigotes and intracellular amastigotes of Leishmania amazonensis, with 50% effective doses of 0.5 and 24 μg/ml, respectively. Its inhibitory effect on amastigotes is apparently a direct effect on the parasites and is not due to activation of the nitrogen oxidative metabolism of macrophages, since the production of nitric oxide by both unstimulated and recombinant gamma interferon-stimulated macrophages was decreased rather than increased with DMC. The phagocytic activity of macrophages was functioning normally even with DMC concentrations as high as 80 μg/ml, as seen by electron microscopy and by the uptake of fluorescein isothiocyanate-labeled beads. Ultrastructural studies also showed that in the presence of DMC the mitochondria of promastigotes were enlarged and disorganized. Despite destruction of intracellular amastigotes, no disarrangement of macrophage organelles were observed, even at 80 μg of DMC/ml. These observations suggest that DMC is selectively toxic to the parasites. Its simple structure may well enable it to serve as a new lead compound for the synthesis of novel antileishmanial drugs. PMID:10223942

Protective effect of the daming capsule on impaired baroreflexes in STZ-induced diabetic rats with hyperlipoidemia.

PubMed

Ai, Jing; Wang, Li-Hong; Zhang, Rong; Qiao, Guo-Fen; Wang, Ning; Sun, Li-Hua; Lu, Guan-Yi; Sun, Chao; Yang, Bao-Feng

2010-12-22

The Daming capsule (DMC) is a traditional Chinese medicine used to treat hyperlipoidemia. Both clinic trials and studies on animal models have demonstrated that DMC is beneficial against diabetic symptoms. Impairment of the baroreflex can cause life-threatening arrhythmias and sudden cardiac death in patients with diabetes mellitus (DM). This study was designed to elucidate the effects of DMC on baroreflexes in streptozocin (STZ)-induced diabetic rats with hyperlipoidemia. Wistar rats were randomly divided into three groups: untreated controls, rats pretreated STZ and high lipids (a diabetes model or DM rats), and DM rats treated with DMC. The baroreflex sensitivity was examined during intravenous injection of phenylephrine (PE) or sodium nitroprusside (SNP) and quantified by the change in heart rate over the change in mean arterial blood pressure (ΔHR/ΔMABP). Morphological remodeling of baroreceptors was analyzed by transmission electron microscopy (TEM). The mRNA levels and expression of GluR2 and a GABAA receptor subunit were measured by quantitative RT-PCR and Western blotting. Compared to untreated DM rats, DMC significantly elevated the ratio of ΔHR/ΔMABP by enhancing the compensatory reduction in HR (-ΔHR) in response to PE-induced hypertension (+ΔMABP) (P < 0.05). In the presence of SNP, DMC increased the ΔMABP (P < 0.05). In addition, DMC markedly shortened the duration of blood pressure changes elicited by PE or SNP in DM rats compared to the untreated DM group (P < 0.05). Electron microscopy revealed disrupted myelin sheaths, swollen ER, and lysed mitochondria in the nucleus ambiguous (NAm) DM rats. These signs of neuropathology were largely prevented by treatment with DMC for 30 days. Treatment with DMC elevated both mRNA and protein level of GluR2 in the NAm of DM rats, but had no effect on GABAA receptor expression. The Daming capsule partially reversed the parasympathetic baroreflex impairment observed in STZ-induced diabetic rats with hyperlipoidemia. Treatment with DMC also prevented the degeneration of neurons and myelinated axons in the brain stem NAm and reversed the down-regulation of GluR2 mRNA. Rescue of NAm function may contribute to the medicinal properties of DMC in diabetic rats.

New data products available at the IRIS DMC

NASA Astrophysics Data System (ADS)

Trabant, C. M.; Bahavar, M.; Hutko, A.; Karstens, R.

2010-12-01

The research supported by the raw data from the observatories of NSF's EarthScope project are having tremendous impact on our understanding of the structure and geologic history of North America, how and why earthquakes occur and many other areas of modern geophysics. The IRIS Data Management Center (DMC) is the primary access point for EarthScope/USArray data and has embarked on a new effort to produce higher-level data products beyond raw time series in order to assist the community in extracting the highest value possible from these data. These new products will serve many purposes: stepping-stones for future research projects, data visualizations, research result comparisons and compilation of unique data sets as well as outreach material. To ensure community involvement in the development of new products the requirements and priorities are reviewed and approved by the IRIS Data Products Working Group (DPWG). Many new products are now available at the IRIS DMC. These include two event based products generated in near real time. 1) USArray Ground Motion Visualizations, routinely generated animations showing the both the vertical and horizontal seismic wavefields sweeping across the USArray Transportable Array from earthquakes around the world. 2) Event Plots, a suite of figures automatically generated following all M6.0+ events which include phase aligned record sections, global body wave envelope stacks, regional network vespagrams and source-time functions. 3) Earth Model Collaboration, a new web repository for community-supplied regional and global tomography models with the ability to preview, request and compare models. 4) EARS, the EarthScope Automated Receiver Survey, developed at the University of South Carolina, aims to calculate crustal thickness and bulk crustal properties beneath USArray stations as well as many other broadband stations whose data are archived at the IRIS DMC. 5) Archiving and distribution of Princeton 3D SEM and 1D synthetic seismograms generated for all Global CMT events. 6) Archiving and distribution of GPS displacement time series produced by the Plate Boundary Observatory. Other data products are under consideration and will be moved to the development pipeline once approved by the IRIS DPWG. Feedback on existing products and ideas for new products are welcome at any time.

EPR studies of free radicals in A-2058 human melanoma cells treated by valproic acid and 5,7-dimethoxycoumarin.

PubMed

Zdybel, Magdalena; Chodurek, Ewa; Pilawa, Barbara

2014-01-01

Free radicals in A-2058 human melanoma cells were studied by the use of electron paramagnetic resonance (EPR) spectroscopy. The aim of this work was to determine the changes in relative free radical concentrations in tumor A-2058 cells after treatment by valproic acid (VPA) and 5,7-dimethoxycoumarin (DMC). The influences of VPA and DMC on free radicals in A-2058 cells were compared with those for human melanoma malignum A-375 and G-361 cells, which were tested by us earlier. Human malignant melanoma A-2058 cells were exposed to interactions with VPA, DMC, and both VPA and DMC. The tumor cells A-2058 were purchased from LGC Standards (Lomianki, Poland), and they were grown in the standard conditions: at 37°C and in an atmosphere containing 95% air and 5% CO2, in the Minimum Essential Medium Eagle (MEM, Sigma-Aldrich). The A-2058 cells were incubated with VPA (1 mM) and DMC (10 μM) for 4 days. The first-derivative EPR spectra of the control A-2058 cells, and the cells treated with VPA, DMC, and both VPA and DMC, were measured by the electron paramagnetic resonance spectrometer of Radiopan (Poznań, Poland) with microwaves from an X-band (9.3 GHz). The parameters of the EPR lines: amplitudes (A), integral intensities (I), line widths (ΔBpp), and g-factors, were analyzed. The changes of amplitudes and line widths with microwave power increasing from 2.2 to 70 mW were drawn evaluated, o-Semiquinone free radicals of melanin biopolymer are mainly responsible for the EPR lines of A-2058 melanoma malignum cells. The amounts of free radicals in A-2058 cells treated with VPA, and both VPA and DMC, were lower than in the untreated control cells. Application of the tested substances (VPA, and both VPA and DMC) as the antitumor compounds was discussed. DMC without VPA did not decrease free radicals concentration in A-2058 cells. The studies con-firmed that EPR spectroscopy may be used to examine interactions of free radicals with antitumor compounds.

Immunotoxicity and allergic potential induced by topical application of dimethyl carbonate (DMC) in a murine model

PubMed Central

Anderson, Stacey E.; Franko, Jennifer; Anderson, Katie L.; Munson, Albert E.; Lukomska, Ewa; Meade, B. Jean

2015-01-01

Dimethyl carbonate (DMC) is an industrial chemical, used as a paint and adhesive solvent, with the potential for significant increases in production. Using select immune function assays, the purpose of these studies was to evaluate the immunotoxicity of DMC following dermal exposure using a murine model. Following a 28-day exposure, DMC produced a significant decrease in thymus weight at concentrations of 75% and greater. No effects on body weight, hematological parameters (erythrocytes, leukocytes, and their differentials), or immune cell phenotyping (B-cells, T-cells, and T-cell sub-sets) were identified. The IgM antibody response to sheep red blood cell (SRBC) was significantly reduced in the spleen but not the serum. DMC was not identified to be an irritant and evaluation of the sensitization potential, conducted using the local lymph node assay (LLNA) at concentrations ranging from 50–100%, did not identify increases in lymphocyte proliferation. These results demonstrate that dermal exposure to DMC induces immune suppression in a murine model and raise concern about potential human exposure and the need for occupational exposure regulations. PMID:22953780

Altered sterol profile induced in Leishmania amazonensis by a natural dihydroxymethoxylated chalcone

PubMed Central

Torres-Santos, Eduardo Caio; Sampaio-Santos, Maria Isabel; Buckner, Frederick S.; Yokoyama, Kohei; Gelb, Michael; Urbina, Julio A.; Rossi-Bergmann, Bartira

2009-01-01

Objectives The effects of the antileishmanial chalcone 2′,6′-dihydroxy-4′-methoxychalcone (DMC) on Leishmania amazonensis sterol composition and biosynthesis were investigated to obtain information about the mechanism of growth inhibition by DMC on this parasite. Methods The interference of sterol biosynthesis by DMC was studied in drug-treated promastigotes by two different methods. (i) Newly synthesized sterols from parasites grown in the presence of [3H]mevalonate were analysed by thin layer chromatography (TLC)/fluorography. (ii) Total sterols extracted from the parasites grown with or without DMC were characterized by gas chromatography coupled to mass spectroscopy (GC/MS). Results TLC and GC/MS analyses of sterols extracted from DMC-treated promastigotes revealed the accumulation of early precursors and a reduction in the levels of C-14 demethylated and C-24 alkylated sterols, as well as a reduction in exogenous cholesterol uptake. Conclusions This study demonstrates that the natural chalcone DMC alters the sterol composition of L. amazonensis and suggests that the parasite target is different from other known sterol inhibitors. PMID:19176591

Enhanced Cognitive Effects of Demethoxycurcumin, a Natural Derivative of Curcumin on Scopolamine-Induced Memory Impairment in Mice.

PubMed

Lim, Dong Wook; Son, Hyun Jung; Um, Min Young; Kim, In-Ho; Han, Daeseok; Cho, Suengmok; Lee, Chang-Ho

2016-08-05

In the present study, we examined the ameliorating effects of demethoxycurcumin (DMC) on memory impairment induced by scopolamine using passive avoidance and Morris water maze tests in mice. Moreover, to determine the neurobiological effects underlying the ameliorating effects of the DMC, choline acetyltransferase (ChAT) immunoreactivity was evaluated in mice exposed to scopolamine. Our results demonstrated that chronic oral administration (28 days) of DMC (10 mg/kg) improved scopolamine-induced learning impairment in the passive avoidance task and memory impairment in the Morris water maze. Moreover, Choline acetyltransferase (ChAT) activity in the DMC-treated group was significantly increased to 33.03% compared with the control group. Our present finding suggests that DMC ameliorates memory impairments induced by scopolamine treatment through reversing the reduction of hippocampal ChAT expression in mice.

CMOS Imaging Sensor Technology for Aerial Mapping Cameras

NASA Astrophysics Data System (ADS)

Neumann, Klaus; Welzenbach, Martin; Timm, Martin

2016-06-01

In June 2015 Leica Geosystems launched the first large format aerial mapping camera using CMOS sensor technology, the Leica DMC III. This paper describes the motivation to change from CCD sensor technology to CMOS for the development of this new aerial mapping camera. In 2002 the DMC first generation was developed by Z/I Imaging. It was the first large format digital frame sensor designed for mapping applications. In 2009 Z/I Imaging designed the DMC II which was the first digital aerial mapping camera using a single ultra large CCD sensor to avoid stitching of smaller CCDs. The DMC III is now the third generation of large format frame sensor developed by Z/I Imaging and Leica Geosystems for the DMC camera family. It is an evolution of the DMC II using the same system design with one large monolithic PAN sensor and four multi spectral camera heads for R,G, B and NIR. For the first time a 391 Megapixel large CMOS sensor had been used as PAN chromatic sensor, which is an industry record. Along with CMOS technology goes a range of technical benefits. The dynamic range of the CMOS sensor is approx. twice the range of a comparable CCD sensor and the signal to noise ratio is significantly better than with CCDs. Finally results from the first DMC III customer installations and test flights will be presented and compared with other CCD based aerial sensors.

Neuroprotective effect of Demethoxycurcumin, a natural derivative of Curcumin on rotenone induced neurotoxicity in SH-SY 5Y Neuroblastoma cells.

PubMed

Ramkumar, Muthu; Rajasankar, Srinivasagam; Gobi, Veerappan Venkatesh; Dhanalakshmi, Chinnasamy; Manivasagam, Thamilarasan; Justin Thenmozhi, Arokiasamy; Essa, Musthafa Mohamed; Kalandar, Ameer; Chidambaram, Ranganathan

2017-04-18

Mitochondrial dysfunction and oxidative stress are the main toxic events leading to dopaminergic neuronal death in Parkinson's disease (PD) and identified as vital objective for therapeutic intercession. This study investigated the neuro-protective effects of the demethoxycurcumin (DMC), a derivative of curcumin against rotenone induced neurotoxicity. SH-SY5Y neuroblastoma cells are divided into four experimental groups: untreated cells, cells incubated with rotenone (100 nM), cells treated with DMC (50 nM) + rotenone (100 nM) and DMC alone treated. 24 h after treatment with rotenone and 28 h after treatment with DMC, cell viability was assessed using the MTT assay, and levels of ROS and MMP, plus expression of apoptotic protein were analysed. Rotenone induced cell death in SH-SY5Y cells was significantly reduced by DMC pretreatment in a dose-dependent manner, indicating the potent neuroprotective effects of DMC. Rotenone treatment significantly increases the levels of ROS, loss of MMP, release of Cyt-c and expression of pro-apoptotic markers and decreases the expression of anti-apoptotic markers. Even though the results of the present study indicated that the DMC may serve as a potent therapeutic agent particularly for the treatment of neurodegenerative diseases like PD, further pre-clinical and clinical studies are required.

Psychometric Properties of the Deep Muscle Contraction Scale for Assessment of the Drawing-in Maneuver in Patients With Chronic Nonspecific Low Back Pain.

PubMed

Oliveira, Crystian B; Negrão Filho, Ruben F; Franco, Márcia R; Morelhão, Priscila K; Araujo, Amanda C; Pinto, Rafael Z

2017-06-01

Study Design A prospective cohort study. Background Motor control dysfunctions have been commonly reported in patients with chronic nonspecific low back pain (LBP). Physical therapists need clinical tools with adequate psychometric properties to assess such patients in clinical practice. The deep muscle contraction (DMC) scale is a clinical rating scale for assessing patients' ability to voluntarily contract deep abdominal muscles. Objectives To investigate the intrarater reliability, floor and ceiling effects, internal and external responsiveness, and correlation analysis (with ultrasound measures) of the DMC scale in patients with chronic nonspecific LBP undergoing a lumbar stabilization exercise program. Methods Sixty-two patients with chronic nonspecific LBP were included. At baseline, self-report questionnaires were administered to patients and a trained assessor evaluated abdominal muscle recruitment with the DMC scale and ultrasound imaging. Four ratios of the change in abdominal muscle thickness between the resting and contracted states were calculated through the ultrasound measures. After 1 week, the same ultrasound measures and DMC scale were collected again for the reliability analysis. The proportions of patients with the lowest and highest scores on the DMC scale were calculated to investigate floor and ceiling effects. All patients underwent a lumbar stabilization program, administered twice a week for 8 weeks. After the treatment period, all measures were collected again, with the addition of the global perceived effect scale, to assess the internal and external responsiveness of the measures. Correlation coefficients between ultrasound ratios and DMC scale total and subscale scores were also calculated. Results The intrarater reliability of the DMC scale and the 4 ratios of abdominal muscle thickness varied from moderate to excellent. The DMC scale showed no floor or ceiling effects. Results for internal responsiveness of the DMC scale showed large effect sizes (2.26; 84% confidence interval [CI]: 2.06, 2.45), whereas the external responsiveness was below the proposed threshold (area under the curve = 0.54; 95% CI: 0.39, 0.68). Fair and significant correlations between some ultrasound ratios and DMC subscales were found. Conclusion The DMC scale was demonstrated to be a reliable tool, with no ceiling and floor effects, and to detect change in the ability to contract the deep abdominal muscles after a lumbar stabilization exercise program, but with low accuracy for estimating patient-perceived clinical outcome. J Orthop Sports Phys Ther 2017;47(6):432-441. doi:10.2519/jospt.2017.7140.

In vitro additive antitumor effects of dimethoxycurcumin and 5-fluorouracil in colon cancer cells.

PubMed

Zhao, Huiying; Liu, Qingchun; Wang, Saisai; Dai, Fang; Cheng, Xiaofei; Cheng, Xiaobin; Chen, Wenbin; Zhang, Min; Chen, Dong

2017-07-01

Dimethoxycurcumin (DMC) is a lipophilic analog of curcumin, an effective treatment for colon cancer, which has greater chemical and metabolic stability. Chemotherapy treatments, such as 5-fluorouracil (5-Fu), play a key role in the current management of colon cancer. In this study, we investigated the antitumor efficacy of DMC in combination with 5-Fu in SW480 and SW620 colon cancer cells. CCK-8 assay was used to evaluate the inhibitory effect of DMC and 5-Fu on cancer cells proliferation, and the combination index was calculated. The influence of DMC and 5-Fu on cell cycle, apoptosis, reactive oxygen species (ROS) production, and mitochondrial membrane potential in SW480 and SW620 cells was determined using flow cytometry, and the related signaling pathways were detected by western blot. Transmission electron microscopy was used to observe endoplasmic reticulum expansion. DMC- and/or 5-Fu-induced apoptosis, stimulated G0/G1 phase arrest, increased ROS levels, decreased mitochondrial membrane potential, and enhanced endoplasmic reticulum expansion. The induction of apoptosis is involved in the increasing of Bax and cytochrome c and decreasing of Bcl2 expressions. Increased production of ROS was accompanied by upregulation of CHOP and Noxa. Combination therapy of DMC and 5-Fu had increased efficacy on the above pathways compared with either drug alone. Based on the calculated IC 50 , combination treatment with DMC and 5-Fu had an additive antitumor effect in both cell lines. Combined treatment with DMC and 5-Fu led to an additive antitumor effect in colon cancer cells that was related to apoptosis induction, G0/G1 phase arrest, increased ROS production, decreased mitochondrial membrane potential, and enhanced endoplasmic reticulum expansion. © 2017 The Authors. Cancer Medicine published by John Wiley & Sons Ltd.

Gas-Phase Synthesis of Dimethyl Carbonate from Methanol and Carbon Dioxide Over Co1.5pw12o40 Keggin-Type Heteropolyanion

PubMed Central

Aouissi, Ahmed; Al-Othman, Zeid Abdullah; Al-Amro, Amro

2010-01-01

The reactivity of Co1.5PW12O40 in the direct synthesis of dimethyl carbonate (DMC) from CO2 and CH3OH was investigated. The synthesized catalyst has been characterized by means of FTIR, XRD, TG, and DTA and tested in gas phase under atmospheric pressure. The effects of the reaction temperature, time on stream, and methanol weight hourly space velocity (MWHSV) on the conversion and DMC selectivity were investigated. The highest conversion (7.6%) and highest DMC selectivity (86.5%) were obtained at the lowest temperature used (200 °C). Increasing the space velocity MWHSV increased the selectivity of DMC, but decreased the conversion. A gain of 18.4% of DMC selectivity was obtained when the MWHSV was increased from 0.65 h−1 to 3.2 h−1. PMID:20480023

Operationa1 Logistics 2010.

DTIC Science & Technology

1997-04-02

movements control center (MCC) which is co-located with a material management center (MMC) forming a distribution management center (DMC). The MMC...missions by a section in Support Operations called the Distribution Management Center (DMC)29. The DMC executes the distribution management (also...restructured organizations are the formula for making theater distribution a reality and the locus of these changes is the Distribution Management Center

Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo

DOE PAGES

Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R. C.; ...

2016-05-03

We have applied the diffusion quantum Monte Carlo (DMC) method to calculate the cohesive energy and the structural parameters of the binary oxides CaO, SrO, BaO, Sc 2O 3, Y 2O 3 and La 2O 3. The aim of our calculations is to systematically quantify the accuracy of the DMC method to study this type of metal oxides. The DMC results were compared with local and semi-local Density Functional Theory (DFT) approximations as well as with experimental measurements. The DMC method yields cohesive energies for these oxides with a mean absolute deviation from experimental measurements of 0.18(2) eV, while withmore » local and semi-local DFT approximations the deviation is 3.06 and 0.94 eV, respectively. For lattice constants, the mean absolute deviation in DMC, local and semi-local DFT approximations, are 0.017(1), 0.07 and 0.05 , respectively. In conclusion, DMC is highly accurate method, outperforming the local and semi-local DFT approximations in describing the cohesive energies and structural parameters of these binary oxides.« less

Multi-scale curvature for automated identification of glaciated mountain landscapes☆

PubMed Central

Prasicek, Günther; Otto, Jan-Christoph; Montgomery, David R.; Schrott, Lothar

2014-01-01

Erosion by glacial and fluvial processes shapes mountain landscapes in a long-recognized and characteristic way. Upland valleys incised by fluvial processes typically have a V-shaped cross-section with uniform and moderately steep slopes, whereas glacial valleys tend to have a U-shaped profile with a changing slope gradient. We present a novel regional approach to automatically differentiate between fluvial and glacial mountain landscapes based on the relation of multi-scale curvature and drainage area. Sample catchments are delineated and multiple moving window sizes are used to calculate per-cell curvature over a variety of scales ranging from the vicinity of the flow path at the valley bottom to catchment sections fully including valley sides. Single-scale curvature can take similar values for glaciated and non-glaciated catchments but a comparison of multi-scale curvature leads to different results according to the typical cross-sectional shapes. To adapt these differences for automated classification of mountain landscapes into areas with V- and U-shaped valleys, curvature values are correlated with drainage area and a new and simple morphometric parameter, the Difference of Minimum Curvature (DMC), is developed. At three study sites in the western United States the DMC thresholds determined from catchment analysis are used to automatically identify 5 × 5 km quadrats of glaciated and non-glaciated landscapes and the distinctions are validated by field-based geological and geomorphological maps. Our results demonstrate that DMC is a good predictor of glacial imprint, allowing automated delineation of glacially and fluvially incised mountain landscapes. PMID:24748703

The fission yeast meiosis-specific Dmc1 recombinase mediates formation and branch migration of Holliday junctions by preferentially promoting strand exchange in a direction opposite to that of Rad51

PubMed Central

Murayama, Yasuto; Tsutsui, Yasuhiro; Iwasaki, Hiroshi

2011-01-01

Homologous recombination proceeds via the formation of several intermediates including Holliday junctions (HJs), which are important for creating crossover products. DNA strand exchange is a core reaction that produces these intermediates that is directly catalyzed by RecA family recombinases, of which there are two types in eukaryotes: universal Rad51 and meiosis-specific Dmc1. We demonstrated previously that Rad51 promotes four-strand exchange, mimicking the formation and branch migration of HJs. Here we show that Dmc1 from fission yeast has a similar activity, which requires ATP hydrolysis and is independent of an absolute requirement for the Swi5–Sfr1 complex. These features are critically different from three-strand exchange mediated by Dmc1, but similar to those of four-strand exchange mediated by Rad51, suggesting that strand exchange reactions between duplex–duplex and single-duplex DNAs are mechanistically different. Interestingly, despite similarities in protein structure and in reaction features, the preferential polarities of Dmc1 and Rad51 strand exchange are different (Dmc1 promotes exchange in the 5′-to-3′ direction and Rad51 promotes exchange in the 3′-to-5′ direction relative to the ssDNA region of the DNA substrate). The significance of the Dmc1 polarity is discussed within the context of the necessity for crossover production. PMID:21363965

Depression and decision-making capacity for treatment or research: a systematic review

PubMed Central

2013-01-01

Background Psychiatric disorders can pose problems in the assessment of decision-making capacity (DMC). This is so particularly where psychopathology is seen as the extreme end of a dimension that includes normality. Depression is an example of such a psychiatric disorder. Four abilities (understanding, appreciating, reasoning and ability to express a choice) are commonly assessed when determining DMC in psychiatry and uncertainty exists about the extent to which depression impacts capacity to make treatment or research participation decisions. Methods A systematic review of the medical ethical and empirical literature concerning depression and DMC was conducted. Medline, EMBASE and PsycInfo databases were searched for studies of depression and consent and DMC. Empirical studies and papers containing ethical analysis were extracted and analysed. Results 17 publications were identified. The clinical ethics studies highlighted appreciation of information as the ability that can be impaired in depression, indicating that emotional factors can impact on DMC. The empirical studies reporting decision-making ability scores also highlighted impairment of appreciation but without evidence of strong impact. Measurement problems, however, looked likely. The frequency of clinical judgements of lack of DMC in people with depression varied greatly according to acuity of illness and whether judgements are structured or unstructured. Conclusions Depression can impair DMC especially if severe. Most evidence indicates appreciation as the ability primarily impaired by depressive illness. Understanding and measuring the appreciation ability in depression remains a problem in need of further research. PMID:24330745

Effects of demethoxycurcumin on the viability and apoptosis of skin cancer cells.

PubMed

Wu, Yaoqun; Zhang, Pei; Yang, Hongyun; Ge, Yong; Xin, Yong

2017-07-01

The present study investigated the effects and mechanisms of demethoxycurcumin (DMC) on a human skin squamous cell carcinoma cell line, A431, and a human keratinocyte cell line, HaCaT. A431 and HaCaT cells were cultured in vitro. The effects of DMC treatment on cell viability were analyzed using the Cell Counting kit‑8 (CCK‑8) assay; cell cycle distribution was analyzed by flow cytometry; apoptosis was assessed by flow cytometry and Hoechst 33258 staining; and the protein expression levels of cytochrome c, B‑cell lymphoma 2 (Bcl‑2), Bcl‑2‑associated X protein (BAX), caspase‑9 and caspase‑3 were evaluated by western blotting. CCK‑8 assay results demonstrated that DMC treatment significantly inhibited viability of A431 and HaCaT cells in a dose‑dependent manner. Flow cytometric analysis confirmed that DMC treatment induced apoptosis in a dose‑dependent manner, and significantly increased the proportion of cells in G2/M phase. Western blot analysis indicated that the protein expression levels of Bcl‑2 were decreased, whereas the expression levels of BAX, caspase‑9, caspase‑3 and cytochrome c were increased following DMC treatment compared with in untreated cells. In conclusion, DMC treatment significantly inhibited viability of A431 and HaCaT cells, and induced cell cycle arrest in G2/M phase. The present study indicated that DMC may induce apoptosis of skin cancer cells through a caspase‑dependent pathway.

Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo

DOE PAGES

Santana Palacio, Juan A.; Krogel, Jaron T.; Kim, Jeongnim; ...

2015-04-28

We have applied the many-body ab-initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure, and the energetics of the oxygen vacancy, zinc interstitial and hydrogen impurities in ZnO. We show that DMC is an accurate and practical method that can be used to characterize multiple properties of materials that are challenging for density functional theory approximations. DMC agrees with experimental measurements to within 0.3 eV, including the band-gap of ZnO, the ionization potential of O and Zn, and the atomization energy of O2, ZnO dimer, and wurtzite ZnO. DMC predicts the oxygen vacancy asmore » a deep donor with a formation energy of 5.0(2) eV under O-rich conditions and thermodynamic transition levels located between 1.8 and 2.5 eV from the valence band maximum. Our DMC results indicate that the concentration of zinc interstitial and hydrogen impurities in ZnO should be low under n-type, and Zn- and H-rich conditions because these defects have formation energies above 1.4 eV under these conditions. Comparison of DMC and hybrid functionals shows that these DFT approximations can be parameterized to yield a general correct qualitative description of ZnO. However, the formation energy of defects in ZnO evaluated with DMC and hybrid functionals can differ by more than 0.5 eV.« less

ASC Distribution Management Center (DMC) Provides Materiel Management Capability

DTIC Science & Technology

2008-09-01

Distribution Management Center (DMC) is the single interface for the synchronization and integration of logistical functions among active Army units in CONUS...with an integrated team of Soldiers, government service employees, and contractors assigned to Rock Island, as well as forward-positioned Distribution ... Management Teams (DMTs) at 15 major Army installations throughout CONUS, Alaska, and Hawaii. The current DMC structure provides the benefit of

Improvement of in vitro and in vivo antileishmanial activities of 2', 6'-dihydroxy-4'-methoxychalcone by entrapment in poly(D,L-lactide) nanoparticles.

PubMed

Torres-Santos, E C; Rodrigues, J M; Moreira, D L; Kaplan, M A; Rossi-Bergmann, B

1999-07-01

The inhibition of intracellular Leishmania amazonensis growth by 2', 6'-dihydroxy-4'-methoxychalcone (DMC) isolated from Piper aduncum was further enhanced after encapsulation of DMC in polymeric nanoparticles. Encapsulated DMC also showed increased antileishmanial activity in infected BALB/c mice, as evidenced by significantly smaller lesions and fewer parasites in the lesions.

Meiotic Crossover Control by Concerted Action of Rad51-Dmc1 in Homolog Template Bias and Robust Homeostatic Regulation

PubMed Central

Huang, Chu-Chun; Grubb, Jennifer; Thacker, Drew; Lee, Chih-Ying; Dresser, Michael E.; Hunter, Neil; Bishop, Douglas K.

2013-01-01

During meiosis, repair of programmed DNA double-strand breaks (DSBs) by recombination promotes pairing of homologous chromosomes and their connection by crossovers. Two DNA strand-exchange proteins, Rad51 and Dmc1, are required for meiotic recombination in many organisms. Studies in budding yeast imply that Rad51 acts to regulate Dmc1's strand exchange activity, while its own exchange activity is inhibited. However, in a dmc1 mutant, elimination of inhibitory factor, Hed1, activates Rad51's strand exchange activity and results in high levels of recombination without participation of Dmc1. Here we show that Rad51-mediated meiotic recombination is not subject to regulatory processes associated with high-fidelity chromosome segregation. These include homolog bias, a process that directs strand exchange between homologs rather than sister chromatids. Furthermore, activation of Rad51 does not effectively substitute for Dmc1's chromosome pairing activity, nor does it ensure formation of the obligate crossovers required for accurate homolog segregation. We further show that Dmc1's dominance in promoting strand exchange between homologs involves repression of Rad51's strand-exchange activity. This function of Dmc1 is independent of Hed1, but requires the meiotic kinase, Mek1. Hed1 makes a relatively minor contribution to homolog bias, but nonetheless this is important for normal morphogenesis of synaptonemal complexes and efficient crossing-over especially when DSB numbers are decreased. Super-resolution microscopy shows that Dmc1 also acts to organize discrete complexes of a Mek1 partner protein, Red1, into clusters along lateral elements of synaptonemal complexes; this activity may also contribute to homolog bias. Finally, we show that when interhomolog bias is defective, recombination is buffered by two feedback processes, one that increases the fraction of events that yields crossovers, and a second that we propose involves additional DSB formation in response to defective homolog interactions. Thus, robust crossover homeostasis is conferred by integrated regulation at initiation, strand-exchange and maturation steps of meiotic recombination. PMID:24367271

Tools for Integrating Data Access from the IRIS DMC into Research Workflows

NASA Astrophysics Data System (ADS)

Reyes, C. G.; Suleiman, Y. Y.; Trabant, C.; Karstens, R.; Weertman, B. R.

2012-12-01

Web service interfaces at the IRIS Data Management Center (DMC) provide access to a vast archive of seismological and related geophysical data. These interfaces are designed to easily incorporate data access into data processing workflows. Examples of data that may be accessed include: time series data, related metadata, and earthquake information. The DMC has developed command line scripts, MATLAB® interfaces and a Java library to support a wide variety of data access needs. Users of these interfaces do not need to concern themselves with web service details, networking, or even (in most cases) data conversion. Fetch scripts allow access to the DMC archive and are a comfortable fit for command line users. These scripts are written in Perl and are well suited for automation and integration into existing workflows on most operating systems. For metdata and event information, the Fetch scripts even parse the returned data into simple text summaries. The IRIS Java Web Services Library (IRIS-WS Library) allows Java developers the ability to create programs that access the DMC archives seamlessly. By returning the data and information as native Java objects the Library insulates the developer from data formats, network programming and web service details. The MATLAB interfaces leverage this library to allow users access to the DMC archive directly from within MATLAB (r2009b or newer), returning data into variables for immediate use. Data users and research groups are developing other toolkits that use the DMC's web services. Notably, the ObsPy framework developed at LMU Munich is a Python Toolbox that allows seamless access to data and information via the DMC services. Another example is the MATLAB-based GISMO and Waveform Suite developments that can now access data via web services. In summary, there now exist a host of ways that researchers can bring IRIS DMC data directly into their workflows. MATLAB users can use irisFetch.m, command line users can use the various Fetch scripts, Java users can use the IRIS-WS library, and Python users may request data through ObsPy. To learn more about any of these clients see http://www.iris.edu/ws/wsclients/.

Solvent dependent photophysical properties of dimethoxy curcumin

NASA Astrophysics Data System (ADS)

Barik, Atanu; Indira Priyadarsini, K.

2013-03-01

Dimethoxy curcumin (DMC) is a methylated derivative of curcumin. In order to know the effect of ring substitution on photophysical properties of curcumin, steady state absorption and fluorescence spectra of DMC were recorded in organic solvents with different polarity and compared with those of curcumin. The absorption and fluorescence spectra of DMC, like curcumin, are strongly dependent on solvent polarity and the maxima of DMC showed red shift with increase in solvent polarity function (Δf), but the above effect is prominently observed in case of fluorescence maxima. From the dependence of Stokes' shift on solvent polarity function the difference between the excited state and ground state dipole moment was estimated as 4.9 D. Fluorescence quantum yield (ϕf) and fluorescence lifetime (τf) of DMC were also measured in different solvents at room temperature. The results indicated that with increasing solvent polarity, ϕf increased linearly, which has been accounted for the decrease in non-radiative rate by intersystem crossing (ISC) processes.

Small Rad51 and Dmc1 Complexes Often Co-occupy Both Ends of a Meiotic DNA Double Strand Break

PubMed Central

Brown, M. Scott; Grubb, Jennifer; Zhang, Annie; Rust, Michael J.; Bishop, Douglas K.

2015-01-01

The Eukaryotic RecA-like proteins Rad51 and Dmc1 cooperate during meiosis to promote recombination between homologous chromosomes by repairing programmed DNA double strand breaks (DSBs). Previous studies showed that Rad51 and Dmc1 form partially overlapping co-foci. Here we show these Rad51-Dmc1 co-foci are often arranged in pairs separated by distances of up to 400 nm. Paired co-foci remain prevalent when DSBs are dramatically reduced or when strand exchange or synapsis is blocked. Super-resolution dSTORM microscopy reveals that individual foci observed by conventional light microscopy are often composed of two or more substructures. The data support a model in which the two tracts of ssDNA formed by a single DSB separate from one another by distances of up to 400 nm, with both tracts often bound by one or more short (about 100 nt) Rad51 filaments and also by one or more short Dmc1 filaments. PMID:26719980

Diabetes-related heart failure.

PubMed

Bando, Yasuko K; Murohara, Toyoaki

2014-01-01

As the link between heart failure (HF) and diabetes mellitus (DM) becomes unignorable, so the need is further increasing for pathological comprehension: What is "diabetic cardiomyopathy (DMC)?" In response to current concern, the most updated guidelines stated by the ACCF/AHA and by the ESC/EASD take one step further, including the definition of DMC, although it is a matter yet to be completed. For more than 40 years, coronary artery disease and hypertension have been considered as the main causes of diabetes-related cardiac dysfunction. HF was originally considered as a result of reduced left ventricular ejection fraction (HF-REF); however, it has been recognized that HF symptoms are often observed in patients with preserved EF (HF-PEF). DMC includes HF with both reduced and preserved entities independent of coronary stenosis and hypertension. Cardiologists are thus facing a sort of chaos without clear guidelines for the "deadly intersection" of DM and HF. Today, the increasing interest and concern have caused DMC to be revisited and the first step in controlling the chaos around DMC is to organize and analyze all of the available evidence from preclinical and clinical studies. This review aims to illustrate the current concepts of DMC by shedding light on the new molecular mechanisms.  (Circ J 2014; 78: 576-583).

Competitive lithium solvation of linear and cyclic carbonates from quantum chemistry

DOE PAGES

Kent, Paul R. C.; Ganesh, Panchapakesan; Borodin, Oleg; ...

2015-11-17

The composition of the lithium cation (Li+) solvation shell in mixed linear and cyclic carbonate-based electrolytes has been re-examined using Born–Oppenheimer molecular dynamics (BOMD) as a function of salt concentration and cluster calculations with ethylene carbonate:dimethyl carbonate (EC:DMC)–LiPF 6 as a model system. A coordination preference for EC over DMC to a Li+ was found at low salt concentrations, while a slightly higher preference for DMC over EC was found at high salt concentrations. Analysis of the relative binding energies of the (EC) n(DMC) m–Li+ and (EC) n(DMC) m–LiPF 6 solvates in the gas-phase and for an implicit solvent (asmore » a function of the solvent dielectric constant) indicated that the DMC-containing Li+ solvates were stabilized relative to (EC 4)–Li+ and (EC) 3–LiPF 6 by immersing them in the implicit solvent. Such stabilization was more pronounced in the implicit solvents with a high dielectric constant. Results from previous Raman and IR experiments were reanalyzed and reconciled by correcting them for changes of the Raman activities, IR intensities and band shifts for the solvents which occur upon Li+ coordination. After these correction factors were applied to the results of BOMD simulations, the composition of the Li+ solvation shell from the BOMD simulations was found to agree well with the solvation numbers extracted from Raman experiments. Finally, the mechanism of the Li+ diffusion in the dilute (EC:DMC)LiPF 6 mixed solvent electrolyte was studied using the BOMD simulations.« less

Influence of management regime and harvest date on the forage quality of rangelands plants: the importance of dry matter content

PubMed Central

Bumb, Iris; Garnier, Eric; Bastianelli, Denis; Richarte, Jean; Bonnal, Laurent; Kazakou, Elena

2016-01-01

In spite of their recognized ecological value, relatively little is known about the nutritional value of species-rich rangelands for herbivores. We investigated the sources of variation in dry matter digestibility (DMD), neutral detergent fibre content (NDF) and nitrogen concentration (NC) in plants from species-rich Mediterranean rangelands in southern France, and tested whether the dry matter content (DMC) was a good predictor of the forage quality of different plant parts. Sixteen plant species with contrasting growth forms (rosette, tussock, extensive and stemmed-herb) were studied, representative of two management regimes imposed in these rangelands: (i) fertilization and intensive grazing and (ii) non-fertilization and moderate grazing. Among the 16 plant species, four species were found in both treatments, allowing us to assess the intraspecific variability in forage quality and DMC across the treatments. The components of nutritional value (DMD, NDF and NC) as well as the DMC of leaves, stems and reproductive plant parts, were assessed at the beginning of the growing season and at peak standing biomass. All components of nutritional value and DMC were affected by species growth form: rosettes had higher DMD and NC than tussocks; the reverse being found for NDF and DMC. As the season progressed, DMD and NC of the different plant parts decreased while NDF and DMC increased for all species. DMC was negatively related to DMD and NC and positively to NDF, regardless of the source of variation (species, harvest date, management regime or plant part). Path analysis indicated that NDF was the main determinant of DMD. Better assessment of forage quality in species-rich systems requires consideration of their growth form composition. DMC of all plant parts, which is closely related to NDF, emerged as a good predictor and easily measured trait to estimate DMD in these species-rich systems. PMID:27339049

Simulations using patient data to evaluate systematic errors that may occur in 4D treatment planning: a proof of concept study.

PubMed

St James, Sara; Seco, Joao; Mishra, Pankaj; Lewis, John H

2013-09-01

The purpose of this work is to present a framework to evaluate the accuracy of four-dimensional treatment planning in external beam radiation therapy using measured patient data and digital phantoms. To accomplish this, 4D digital phantoms of two model patients were created using measured patient lung tumor positions. These phantoms were used to simulate a four-dimensional computed tomography image set, which in turn was used to create a 4D Monte Carlo (4DMC) treatment plan. The 4DMC plan was evaluated by simulating the delivery of the treatment plan over approximately 5 min of tumor motion measured from the same patient on a different day. Unique phantoms accounting for the patient position (tumor position and thorax position) at 2 s intervals were used to represent the model patients on the day of treatment delivery and the delivered dose to the tumor was determined using Monte Carlo simulations. For Patient 1, the tumor was adequately covered with 95.2% of the tumor receiving the prescribed dose. For Patient 2, the tumor was not adequately covered and only 74.3% of the tumor received the prescribed dose. This study presents a framework to evaluate 4D treatment planning methods and demonstrates a potential limitation of 4D treatment planning methods. When systematic errors are present, including when the imaging study used for treatment planning does not represent all potential tumor locations during therapy, the treatment planning methods may not adequately predict the dose to the tumor. This is the first example of a simulation study based on patient tumor trajectories where systematic errors that occur due to an inaccurate estimate of tumor motion are evaluated.

Improvement of In Vitro and In Vivo Antileishmanial Activities of 2′,6′-Dihydroxy-4′-Methoxychalcone by Entrapment in Poly(d,l-Lactide) Nanoparticles

PubMed Central

Torres-Santos, Eduardo Caio; Rodrigues, José M.; Moreira, Davyson L.; Kaplan, Maria Auxiliadora C.; Rossi-Bergmann, Bartira

1999-01-01

The inhibition of intracellular Leishmania amazonensis growth by 2′,6′-dihydroxy-4′-methoxychalcone (DMC) isolated from Piper aduncum was further enhanced after encapsulation of DMC in polymeric nanoparticles. Encapsulated DMC also showed increased antileishmanial activity in infected BALB/c mice, as evidenced by significantly smaller lesions and fewer parasites in the lesions. PMID:10390243

The combined EarthScope data set at the IRIS DMC

NASA Astrophysics Data System (ADS)

Trabant, C.; Sharer, G.; Benson, R.; Ahern, T.

2007-12-01

The IRIS Data Management Center (DMC) is the perpetual archive and access point for an ever-increasing variety of geophysical data in terms of volume, geographic distribution and scientific value. A particular highlight is the combined data set produced by the EarthScope project. The DMC archives data from each of the primary components: USArray, the Plate Boundary Observatory (PBO) & the San Andreas Fault Observatory at Depth (SAFOD). Growing at over 4.6 gigabytes per day, the USArray data set currently totals approximately 5 terabytes. Composed of four separate sub-components: the Permanent, Transportable, Flexible and Magnetotelluric Arrays, the USArray data set provides a multi-scale view of the western United States at present and the conterminous United States when it is completed. The primary data from USArray are in the form of broadband and short-period seismic recordings and magnetotelluric measurements. Complementing the data from USArray are the short- period, borehole seismic data and borehole and laser strain data from PBO. The DMC also archives the high- resolution seismic data from instruments in the SAFOD main and pilot drill holes. The SAFOD seismic data is available in two forms: lower-rate monitoring channels sampled at 250 hertz and full resolution channels varying between 1 and 4 kilohertz. Beyond data collection and archive management the DMC performs value-added functions. All data arriving at the DMC as real-time data streams are processed by QUACK, an automated Quality Control (QC) system. All the measurements made by this system are stored in a database and made available to data contributors and users via a web interface including customized report generation. In addition to the automated QC measurements, quality control is performed on USArray data at the DMC by a team of analysts. The primary functions of the analysts are to routinely report data quality assessment to the respective network operators and log serious, unfixable data issues for reference by data users. All of these data are managed in a unified SEED format archive and are seamlessly available to data users via the DMC's&pstandard data access methods along with all the other data managed by the DMC. The only exception is high resolution, special case SAFOD seismic data that is retained in its original SEG-2 format as an assembled data set. A data user can choose between a handful of data access methods ranging from simple email requests to technologically advanced CORBA-based access, streamlining the "information into application" philosophy. Currently totally over 8.5 terabytes and growing, the combined EarthScope data at the DMC provides an unparalleled, multi-measurement record of geophysical information ideal for determining Earth structure and processes in the United States and beyond. A website is maintained to provide current information regarding EarthScope data at the DMC: http://www.iris.edu/earthscope/.

Determinants of psychogeriatric inpatient length of stay and direct medical costs: a 6-year longitudinal study using a national database in Taiwan.

PubMed

Liu, Chin-Ming; Li, Chu-Shiu; Liu, Chwen-Chi; Tu, Chu-Chin

2012-08-01

This research examined factors related to the average length of hospital stay (LOS) and average direct medical costs (DMC) for 2291 psychogeriatric inpatients (aged 65 and over) admitted for the first time to a psychiatric ward in 2002. Hospitalization claim data of these inpatients were traced for the subsequent 6 years (2002-2007) from the dataset of Taiwan's National Health Insurance program. Analysis was carried out using the t-test, χ(2) -test and zero truncated Tobit regression. Mean LOS and mean DMC were significantly different according to sex, psychiatric diagnosis, institution type, ownership type, and number of hospitalizations, but age was the exception. Both LOS and DMC exhibited downward U-shape for the number of hospitalizations. Factors significantly associated with longer LOS and higher DMC were: male sex; schizophrenic and delusional disorders (compared with dementia); and public institution (compared with private hospital). Compared with dementia, organic mental and anxiety disorders had significantly shorter LOS, and affective disorders had shorter LOS but higher DMC. Community and psychiatric hospitals (compared with general hospital) significantly influenced LOS but not DMC. Our results can be used as a reference for providers and policymakers to improve psychiatric care efficiency and carry out National Health Insurance financial reform for psychogeriatric inpatients. © 2012 The Authors. Psychiatry and Clinical Neurosciences © 2012 Japanese Society of Psychiatry and Neurology.

Lipase-catalyzed simultaneous biosynthesis of biodiesel and glycerol carbonate from corn oil in dimethyl carbonate.

PubMed

Min, Ji Young; Lee, Eun Yeol

2011-09-01

Biodiesel [fatty acid methyl esters (FAMEs)] and glycerol carbonate were synthesized from corn oil and dimethyl carbonate (DMC) via transesterification using lipase (Novozyme 435) in solvent-free reaction in which excess DMC was used as the substrate and reaction medium. Glycerol carbonate was also simultaneously formed from DMC and glycerol. Conversions of FAMEs and glycerol carbonate were examined in batch reactions. The FAMEs and glycerol carbonate reached 94 and 62.5% from oil and DMC (molar ratio of 1:10) with 0.2% (v/v) water and 10% (w/w) Novozyme 435 (based on oil weight) at 60 °C. When Novozyme 435 was washed with acetone after each reaction, more than 80% activity still remained after seven recycling. © Springer Science+Business Media B.V. 2011

New Data Products Available at the IRIS Data Management Center

NASA Astrophysics Data System (ADS)

Ahern, T.; Casey, R.; Kamb, L.; Zeleznik, M.; Ammon, C. J.

2007-12-01

With USArray data processing and services in full production, the IRIS Data Management Center (DMC) has developed an online tool to function as a library for products derived from raw USArray observations as well as other catalogs with broad interest produced and supplied by the geoscience community. The service, called SPADE, is a flexible, annotated cataloging system for storing heterogeneous data products supplied by registered providers. SPADE includes a web interface that allows users to search across the spectrum of varied data products using geographic, temporal, and/or keyword parameters to locate products of specific interest. In addition to cooperative product submissions from outside institutions, the IRIS DMC is collaborating and developing frameworks to produce and to provide interesting products that take advantage of data from USArray sensors. These products are automatically produced in near- real time following interesting seismic events, and broaden the range of information that IRIS delivers to the geoscience community. In this presentation we will demonstrate the SPADE query interface and present examples of the available data products such as Global Centroid Moment Tensor solutions from Harvard and Columbia Universities, historic earthquake data scanned from select WWSSN film chips, as well as IRIS-produced seismic record sections, and ground-motion animations derived from Transportable Array observations.

Estimating current and future global urban domestic material consumption

NASA Astrophysics Data System (ADS)

Baynes, Timothy Malcolm; Kaviti Musango, Josephine

2018-06-01

Urban material resource requirements are significant at the global level and these are expected to expand with future urban population growth. However, there are no global scale studies on the future material consumption of urban areas. This paper provides estimates of global urban domestic material consumption (DMC) in 2050 using three approaches based on: current gross statistics; a regression model; and a transition theoretic logistic model. All methods use UN urban population projections and assume a simple ‘business-as-usual’ scenario wherein historical aggregate trends in income and material flow continue into the future. A collation of data for 152 cities provided a year 2000 world average DMC/capita estimate, 12 tons/person/year (±22%), which we combined with UN population projections to produce a first-order estimation of urban DMC at 2050 of ~73 billion tons/year (±22%). Urban DMC/capita was found to be significantly correlated (R 2 > 0.9) to urban GDP/capita and area per person through a power law relation used to obtain a second estimate of 106 billion tons (±33%) in 2050. The inelastic exponent of the power law indicates a global tendency for relative decoupling of direct urban material consumption with increasing income. These estimates are global and influenced by the current proportion of developed-world cities in the global population of cities (and in our sample data). A third method employed a logistic model of transitions in urban DMC/capita with regional resolution. This method estimated global urban DMC to rise from approximately 40 billion tons/year in 2010 to ~90 billion tons/year in 2050 (modelled range: 66–111 billion tons/year). DMC/capita across different regions was estimated to converge from a range of 5–27 tons/person/year in the year 2000 to around 8–17 tons/person/year in 2050. The urban population does not increase proportionally during this period and thus the global average DMC/capita increases from ~12 to ~14 tons/person/year, challenging resource decoupling targets.

Multi-scale curvature for automated identification of glaciated mountain landscapes

NASA Astrophysics Data System (ADS)

Prasicek, Günther; Otto, Jan-Christoph; Montgomery, David; Schrott, Lothar

2014-05-01

Automated morphometric interpretation of digital terrain data based on impartial rule sets holds substantial promise for large dataset processing and objective landscape classification. However, the geomorphological realm presents tremendous complexity in the translation of qualitative descriptions into geomorphometric semantics. Here, the simple, conventional distinction of V-shaped fluvial and U-shaped glacial valleys is analyzed quantitatively using the relation of multi-scale curvature and drainage area. Glacial and fluvial erosion shapes mountain landscapes in a long-recognized and characteristic way. Valleys incised by fluvial processes typically have V-shaped cross-sections with uniform and moderately steep slopes, whereas glacial valleys tend to have U-shaped profiles and topographic gradients steepening with distance from valley floor. On a DEM, thalweg cells are determined by a drainage area cutoff and multiple moving window sizes are used to derive per-cell curvature over a variety of scales ranging from the vicinity of the flow path at the valley bottom to catchment sections fully including valley sides. The relation of the curvatures calculated for the user-defined minimum scale and the automatically detected maximum scale is presented as a novel morphometric variable termed Difference of Minimum Curvature (DMC). DMC thresholds determined from typical glacial and fluvial sample catchments are employed to identify quadrats of glaciated and non-glaciated mountain landscapes and the distinctions are validated by field-based geological and geomorphological maps. A first test of the novel algorithm at three study sites in the western United States and a subsequent application to Europe and western Asia demonstrate the transferability of the approach.

Extension of the NCAT phantom for the investigation of intra-fraction respiratory motion in IMRT using 4D Monte Carlo

NASA Astrophysics Data System (ADS)

McGurk, Ross; Seco, Joao; Riboldi, Marco; Wolfgang, John; Segars, Paul; Paganetti, Harald

2010-03-01

The purpose of this work was to create a computational platform for studying motion in intensity modulated radiotherapy (IMRT). Specifically, the non-uniform rational B-spline (NURB) cardiac and torso (NCAT) phantom was modified for use in a four-dimensional Monte Carlo (4D-MC) simulation system to investigate the effect of respiratory-induced intra-fraction organ motion on IMRT dose distributions as a function of diaphragm motion, lesion size and lung density. Treatment plans for four clinical scenarios were designed: diaphragm peak-to-peak amplitude of 1 cm and 3 cm, and two lesion sizes—2 cm and 4 cm diameter placed in the lower lobe of the right lung. Lung density was changed for each phase using a conservation of mass calculation. Further, a new heterogeneous lung model was implemented and tested. Each lesion had an internal target volume (ITV) subsequently expanded by 15 mm isotropically to give the planning target volume (PTV). The PTV was prescribed to receive 72 Gy in 40 fractions. The MLC leaf sequence defined by the planning system for each patient was exported and used as input into the MC system. MC simulations using the dose planning method (DPM) code together with deformable image registration based on the NCAT deformation field were used to find a composite dose distribution for each phantom. These composite distributions were subsequently analyzed using information from the dose volume histograms (DVH). Lesion motion amplitude has the largest effect on the dose distribution. Tumor size was found to have a smaller effect and can be mitigated by ensuring the planning constraints are optimized for the tumor size. The use of a dynamic or heterogeneous lung density model over a respiratory cycle does not appear to be an important factor with a <= 0.6% change in the mean dose received by the ITV, PTV and right lung. The heterogeneous model increases the realism of the NCAT phantom and may provide more accurate simulations in radiation therapy investigations that use the phantom. This work further evaluates the NCAT phantom for use as a tool in radiation therapy research in addition to its extensive use in diagnostic imaging and nuclear medicine research. Our results indicate that the NCAT phantom, combined with 4D-MC simulations, is a useful tool in radiation therapy investigations and may allow the study of relative effects in many clinically relevant situations.

Recruitment of RecA homologs Dmc1p and Rad51p to the double-strand break repair site initiated by meiosis-specific endonuclease VDE (PI-SceI).

PubMed

Fukuda, Tomoyuki; Ohya, Yoshikazu

2006-02-01

During meiosis, VDE (PI-SceI), a homing endonuclease in Saccharomyces cerevisiae, introduces a double-strand break (DSB) at its recognition sequence and induces homologous recombinational repair, called homing. Meiosis-specific RecA homolog Dmc1p, as well as mitotic RecA homolog Rad51p, acts in the process of meiotic recombination, being required for strand invasion and exchange. In this study, recruitment of Dmc1p and Rad51p to the VDE-induced DSB repair site is investigated by chromatin immunoprecipitation assay. It is revealed that Dmc1p and Rad51p are loaded to the repair site in an independent manner. Association of Rad51p requires other DSB repair proteins of Rad52p, Rad55p, and Rad57p, while loading of Dmc1p is facilitated by the different protein, Sae3p. Absence of Tid1p, which can bind both RecA homologs, appears specifically to cause an abnormal distribution of Dmc1p. Lack of Hop2, Mnd1p, and Sae1p does not impair recruitment of both RecA homologs. These findings reveal the discrete functions of each strand invasion protein in VDE-initiated homing, confirm the similarity between VDE-initiated homing and Spo11p-initiated meiotic recombination, and demonstrate the availability of VDE-initiated homing for the study of meiotic recombination.

Programmatic access to data and information at the IRIS DMC via web services

NASA Astrophysics Data System (ADS)

Weertman, B. R.; Trabant, C.; Karstens, R.; Suleiman, Y. Y.; Ahern, T. K.; Casey, R.; Benson, R. B.

2011-12-01

The IRIS Data Management Center (DMC) has developed a suite of web services that provide access to the DMC's time series holdings, their related metadata and earthquake catalogs. In addition, services are available to perform simple, on-demand time series processing at the DMC prior to being shipped to the user. The primary goal is to provide programmatic access to data and processing services in a manner usable by and useful to the research community. The web services are relatively simple to understand and use and will form the foundation on which future DMC access tools will be built. Based on standard Web technologies they can be accessed programmatically with a wide range of programming languages (e.g. Perl, Python, Java), command line utilities such as wget and curl or with any web browser. We anticipate these services being used for everything from simple command line access, used in shell scripts and higher programming languages to being integrated within complex data processing software. In addition to improving access to our data by the seismological community the web services will also make our data more accessible to other disciplines. The web services available from the DMC include ws-bulkdataselect for the retrieval of large volumes of miniSEED data, ws-timeseries for the retrieval of individual segments of time series data in a variety of formats (miniSEED, SAC, ASCII, audio WAVE, and PNG plots) with optional signal processing, ws-station for station metadata in StationXML format, ws-resp for the retrieval of instrument response in RESP format, ws-sacpz for the retrieval of sensor response in the SAC poles and zeros convention and ws-event for the retrieval of earthquake catalogs. To make the services even easier to use, the DMC is developing a library that allows Java programmers to seamlessly retrieve and integrate DMC information into their own programs. The library will handle all aspects of dealing with the services and will parse the returned data. By using this library a developer will not need to learn the details of the service interfaces or understand the data formats returned. This library will be used to build the software bridge needed to request data and information from within MATLAB°. We also provide several client scripts written in Perl for the retrieval of waveform data, metadata and earthquake catalogs using command line programs. For more information on the DMC's web services please visit http://www.iris.edu/ws/

IRIS DMC products help explore the Tohoku earthquake

NASA Astrophysics Data System (ADS)

Trabant, C.; Hutko, A. R.; Bahavar, M.; Ahern, T. K.; Benson, R. B.; Casey, R.

2011-12-01

Within two hours after the great March 11, 2011 Tohoku earthquake the IRIS DMC started publishing automated data products through its Searchable Product Depository (SPUD), which provides quick viewing of many aspects of the data and preliminary analysis of this great earthquake. These products are part of the DMC's data product development effort intended to serve many purposes: stepping-stones for future research projects, data visualizations, data characterization, research result comparisons as well as outreach material. Our current and soon-to-be-released products that allow users to explore this and other global M>6.0 events include 1) Event Plots, which are a suite of maps, record sections, regional vespagrams and P-coda stacks 2) US Array Ground Motion Visualizations that show the vertical and horizontal global seismic wavefield sweeping across US Array including minor and major arc surface waves and their polarizations 3) back-projection movies that show the time history of short-period energy from the rupture 4) R1 source-time functions that show approximate duration and source directivity and 5) aftershock sequence maps and statistics movies based on NEIC alerts that self-update every hour in the first few days following the mainshock. Higher order information for the Tohoku event that can be inferred based on our products which will be highlighted include a rupture duration of order 150 sec (P-coda stacks, back-projections, R1 STFs) that ruptured approximately 400 km along strike primarily towards the south (back-projections, R1 STFs, aftershock animation) with a very low rupture velocity (back-projections, R1 STFs). All of our event-based products are automated and consistently produced shortly after the event so that they may serve as familiar baselines for the seismology research community. More details on these and other existing products are available at: http://www.iris.edu/dms/products/

Diffusion quantum Monte Carlo calculations of SrFeO 3 and LaFeO 3

DOE PAGES

Santana, Juan A.; Krogel, Jaron T.; Kent, Paul R. C.; ...

2017-07-18

The equations of state, formation energy, and migration energy barrier of the oxygen vacancy in SrFeO 3 and LaFeO 3 were calculated in this paper with the diffusion quantum Monte Carlo (DMC) method. Calculations were also performed with various Density Functional Theory (DFT) approximations for comparison. DMC reproduces the measured cohesive energies of these materials with errors below 0.23(5) eV and the structural properties within 1% of the experimental values. The DMC formation energies of the oxygen vacancy in SrFeO 3 and LaFeO 3 under oxygen-rich conditions are 1.3(1) and 6.24(7) eV, respectively. Similar calculations with semi-local DFT approximations formore » LaFeO 3 yielded vacancy formation energies 1.5 eV lower. Comparison of charge density evaluated with DMC and DFT approximations shows that DFT tends to overdelocalize the electrons in defected SrFeO 3 and LaFeO 3. Finally, calculations with DMC and local density approximation yield similar vacancy migration energy barriers, indicating that steric/electrostatic effects mainly determine migration barriers in these materials.« less

Impact of MPEG-4 3D mesh coding on watermarking algorithms for polygonal 3D meshes

NASA Astrophysics Data System (ADS)

Funk, Wolfgang

2004-06-01

The MPEG-4 multimedia standard addresses the scene-based composition of audiovisual objects. Natural and synthetic multimedia content can be mixed and transmitted over narrow and broadband communication channels. Synthetic natural hybrid coding (SNHC) within MPEG-4 provides tools for 3D mesh coding (3DMC). We investigate the robustness of two different 3D watermarking algorithms for polygonal meshes with respect to 3DMC. The first algorithm is a blind detection scheme designed for labelling applications that require high bandwidth and low robustness. The second algorithm is a robust non-blind one-bit watermarking scheme intended for copyright protection applications. Both algorithms have been proposed by Benedens. We expect 3DMC to have an impact on the watermarked 3D meshes, as the algorithms used for our simulations work on vertex coordinates to encode the watermark. We use the 3DMC implementation provided with the MPEG-4 reference software and the Princeton Shape Benchmark model database for our simulations. The watermarked models are sent through the 3DMC encoder and decoder, and the watermark decoding process is performed. For each algorithm under consideration we examine the detection properties as a function of the quantization of the vertex coordinates.

Artemisia dracunculus L. polyphenols complexed to soy protein show enhanced bioavailability and hypoglycemic activity in C57BL/6 mice

PubMed Central

Ribnicky, D.M.; Roopchand, D.E.; Poulev, A; Kuhn, P.; Oren, A.; Cefalu, W.T.; Raskin, I.

2014-01-01

Objective Scientifically-validated food-based interventions are a practical means of addressing the epidemic of metabolic syndrome. An ethanolic extract of Artemisia dracunculus L. (PMI-5011) containing bioactive polyphenols, such as 2′, 4′–dihydroxy-4-methoxydihydrochalcone (DMC-2), improved insulin resistance in vitro and in vivo. Plant polyphenols are concentrated and stabilized when complexed to protein-rich matrices, such as soy protein isolate (SPI), which act as effective food-based delivery vehicles. In this study we compared bioaccessibility, bioavailability and efficacy of polyphenols extracted from A. dracunculus and delivered as PMI-5011 (ethanolic extract alone), formulated with the non-food excipient Gelucire®, (5011- Gelucire), or sorbed to SPI (5011-Nutrasorb®). Materials and Methods PMI-5011, 5011-Gelucire or 5011-Nutrasorb each containing 162 μg of DMC-2 was delivered to the TNO Intestinal Model-1 (TIM-1) of the human upper gastrointestinal tract to compare the effect of delivery vehicle on DMC-2 bioaccessibility. C57BL6/J mice were orally administered 5011-Nutrasorb or PMI-5011 to compare effects of polyphenol-protein complexation on acute hypoglycemic activity and bioavailability of DMC-2 in serum. Results At 500 mg/kg, 5011-Nutrasorb and PMI-5011 had similar hypoglycemic activity in high fat diet-induced diabetes mouse model despite the fact that 5011-Nutrasorb delivered 15-times less DMC-2 (40 μg/kg vs. 600 μg/kg). This can be partially explained by 8 times greater DMC-2 absorption into serum from 5011-Nutrasorb than from PMI-5011. TIM-1 experiments confirmed higher total bioaccessibility of DMC-2 in vitro when delivered in 5011-Nutrasorb (50.2 %) or Gelucire-5011 (44.4 %) compared to PMI-5011 (27.1 %) (p = 0.08). Conclusion Complexation with soy protein makes anti-diabetic A. dracunculus polyphenols more bioavailable and bioaccessible. PMID:24985105

Excess single-stranded DNA inhibits meiotic double-strand break repair.

PubMed

Johnson, Rebecca; Borde, Valérie; Neale, Matthew J; Bishop-Bailey, Anna; North, Matthew; Harris, Sheila; Nicolas, Alain; Goldman, Alastair S H

2007-11-01

During meiosis, self-inflicted DNA double-strand breaks (DSBs) are created by the protein Spo11 and repaired by homologous recombination leading to gene conversions and crossovers. Crossover formation is vital for the segregation of homologous chromosomes during the first meiotic division and requires the RecA orthologue, Dmc1. We analyzed repair during meiosis of site-specific DSBs created by another nuclease, VMA1-derived endonuclease (VDE), in cells lacking Dmc1 strand-exchange protein. Turnover and resection of the VDE-DSBs was assessed in two different reporter cassettes that can repair using flanking direct repeat sequences, thereby obviating the need for a Dmc1-dependent DNA strand invasion step. Access of the single-strand binding complex replication protein A, which is normally used in all modes of DSB repair, was checked in chromatin immunoprecipitation experiments, using antibody against Rfa1. Repair of the VDE-DSBs was severely inhibited in dmc1Delta cells, a defect that was associated with a reduction in the long tract resection required to initiate single-strand annealing between the flanking repeat sequences. Mutants that either reduce Spo11-DSB formation or abolish resection at Spo11-DSBs rescued the repair block. We also found that a replication protein A component, Rfa1, does not accumulate to expected levels at unrepaired single-stranded DNA (ssDNA) in dmc1Delta cells. The requirement of Dmc1 for VDE-DSB repair using flanking repeats appears to be caused by the accumulation of large quantities of ssDNA that accumulate at Spo11-DSBs when Dmc1 is absent. We propose that these resected DSBs sequester both resection machinery and ssDNA binding proteins, which in wild-type cells would normally be recycled as Spo11-DSBs repair. The implication is that repair proteins are in limited supply, and this could reflect an underlying mechanism for regulating DSB repair in wild-type cells, providing protection from potentially harmful effects of overabundant repair proteins.

Excess Single-Stranded DNA Inhibits Meiotic Double-Strand Break Repair

PubMed Central

Bishop-Bailey, Anna; North, Matthew; Harris, Sheila; Nicolas, Alain; Goldman, Alastair S. H

2007-01-01

During meiosis, self-inflicted DNA double-strand breaks (DSBs) are created by the protein Spo11 and repaired by homologous recombination leading to gene conversions and crossovers. Crossover formation is vital for the segregation of homologous chromosomes during the first meiotic division and requires the RecA orthologue, Dmc1.We analyzed repair during meiosis of site-specific DSBs created by another nuclease, VMA1-derived endonuclease (VDE), in cells lacking Dmc1 strand-exchange protein. Turnover and resection of the VDE-DSBs was assessed in two different reporter cassettes that can repair using flanking direct repeat sequences, thereby obviating the need for a Dmc1-dependent DNA strand invasion step. Access of the single-strand binding complex replication protein A, which is normally used in all modes of DSB repair, was checked in chromatin immunoprecipitation experiments, using antibody against Rfa1. Repair of the VDE-DSBs was severely inhibited in dmc1Δ cells, a defect that was associated with a reduction in the long tract resection required to initiate single-strand annealing between the flanking repeat sequences. Mutants that either reduce Spo11-DSB formation or abolish resection at Spo11-DSBs rescued the repair block. We also found that a replication protein A component, Rfa1, does not accumulate to expected levels at unrepaired single-stranded DNA (ssDNA) in dmc1Δ cells. The requirement of Dmc1 for VDE-DSB repair using flanking repeats appears to be caused by the accumulation of large quantities of ssDNA that accumulate at Spo11-DSBs when Dmc1 is absent. We propose that these resected DSBs sequester both resection machinery and ssDNA binding proteins, which in wild-type cells would normally be recycled as Spo11-DSBs repair. The implication is that repair proteins are in limited supply, and this could reflect an underlying mechanism for regulating DSB repair in wild-type cells, providing protection from potentially harmful effects of overabundant repair proteins. PMID:18081428

Gas evolution from cathode materials: A pathway to solvent decomposition concomitant to SEI formation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Browning, Katie L; Baggetto, Loic; Unocic, Raymond R

This work reports a method to explore the catalytic reactivity of electrode surfaces towards the decomposition of carbonate solvents [ethylene carbonate (EC), dimethyl carbonate (DMC), and EC/DMC]. We show that the decomposition of a 1:1 wt% EC/DMC mixture is accelerated over certain commercially available LiCoO2 materials resulting in the formation of CO2 while over pure EC or DMC the reaction is much slower or negligible. The solubility of the produced CO2 in carbonate solvents is high (0.025 grams/mL) which masks the effect of electrolyte decomposition during storage or use. The origin of this decomposition is not clear but it ismore » expected to be present on other cathode materials and may affect the analysis of SEI products as well as the safety of Li-ion batteries.« less

Mental illness, violence risk, and race in juvenile detention: implications for disproportionate minority contact.

PubMed

Desai, Rani A; Falzer, Paul R; Chapman, John; Borum, Randy

2012-01-01

Disproportionate minority contact (DMC) is a pervasive problem throughout the juvenile justice system. This article explored whether mental illness may be an explanatory factor in DMC. Data such as measures of violence risk and symptoms of mental illness were taken from intake interviews with 482 detained youth in Connecticut. Results indicated that racial minorities in detention have significantly lower violence risk than Caucasians but are disproportionately represented among detention populations relative to their proportions in the general population. In addition, DMC in these data was not explained by mental illness, seriousness of charges, violence risk, age, or gender. We suggest that mandated efforts to reduce DMC will need to address more than improving behavior or reducing symptoms of mental illness among detained minority youth. Instead, efforts should be focused on reducing the racial disparity evident in decisions made within the juvenile justice system. © 2012 American Orthopsychiatric Association.

Rapid orthophoto development system.

DOT National Transportation Integrated Search

2013-06-01

The DMC system procured in the project represented state-of-the-art, large-format digital aerial camera systems at the start of : project. DMC is based on the frame camera model, and to achieve large ground coverage with high spatial resolution, the ...

Analysis of multi-year near-surface ozone observations at the WMO/GAW "Concordia" station (75°06‧S, 123°20‧E, 3280 m a.s.l. - Antarctica)

NASA Astrophysics Data System (ADS)

Cristofanelli, Paolo; Putero, Davide; Bonasoni, Paolo; Busetto, Maurizio; Calzolari, Francescopiero; Camporeale, Giuseppe; Grigioni, Paolo; Lupi, Angelo; Petkov, Boyan; Traversi, Rita; Udisti, Roberto; Vitale, Vito

2018-03-01

This work focuses on the near-surface O3 variability over the eastern Antarctic Plateau. In particular, eight years (2006-2013) of continuous observations at the WMO/GAW contributing station "Concordia" (Dome C-DMC: 75°06‧S, 123°20‧E, 3280 m) are presented, in the framework of the Italian Antarctic Research Programme (PNRA). First, the characterization of seasonal and diurnal O3 variability at DMC is provided. Then, for the period of highest data coverage (2008-2013), we investigated the role of specific atmospheric processes in affecting near-surface summer O3 variability, when O3 enhancement events (OEEs) are systematically observed at DMC (average monthly frequency peaking up to 60% in December). As deduced by a statistical selection methodology, these OEEs are affected by a significant interannual variability, both in their average O3 values and in their frequency. To explain part of this variability, we analyzed OEEs as a function of specific atmospheric variables and processes: (i) total column of O3 (TCO) and UV-A irradiance, (ii) long-range transport of air masses over the Antarctic Plateau (by Lagrangian back-trajectory analysis - LAGRANTO), (iii) occurrence of "deep" stratospheric intrusion events (by using the Lagrangian tool STLEFLUX). The overall near-surface O3 variability at DMC is controlled by a day-to-day pattern, which strongly points towards a dominating influence of processes occurring at "synoptic" scales rather than "local" processes. Even if previous studies suggested an inverse relationship between OEEs and TCO, we found a slight tendency for the annual frequency of OEEs to be higher when TCO values are higher over DMC. The annual occurrence of OEEs at DMC seems related to the total time spent by air masses over the Antarctic plateau before their arrival to DMC, suggesting the accumulation of photochemically-produced O3 during the transport, rather than a more efficient local production. Moreover, the identification of recent (i.e., 4-day old) stratospheric intrusion events by STEFLUX suggested only a minor influence (up to 3% of the period, in November) of "deep" events on the variability of near-surface summer O3 at DMC.

Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

DOE PAGES

Nazarov, Roman; Shulenburger, Luke; Morales, Miguel A.; ...

2016-03-28

We performed diffusion Monte Carlo (DMC) calculations of the spectroscopic properties of a large set of molecules, assessing the effect of different approximations. In systems containing elements with large atomic numbers, we show that the errors associated with the use of nonlocal mean-field-based pseudopotentials in DMC calculations can be significant and may surpass the fixed-node error. In conclusion, we suggest practical guidelines for reducing these pseudopotential errors, which allow us to obtain DMC-computed spectroscopic parameters of molecules and equation of state properties of solids in excellent agreement with experiment.

Benchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nazarov, Roman; Shulenburger, Luke; Morales, Miguel A.

We performed diffusion Monte Carlo (DMC) calculations of the spectroscopic properties of a large set of molecules, assessing the effect of different approximations. In systems containing elements with large atomic numbers, we show that the errors associated with the use of nonlocal mean-field-based pseudopotentials in DMC calculations can be significant and may surpass the fixed-node error. In conclusion, we suggest practical guidelines for reducing these pseudopotential errors, which allow us to obtain DMC-computed spectroscopic parameters of molecules and equation of state properties of solids in excellent agreement with experiment.

Sequence-Dependent Diastereospecific and Diastereodivergent Crosslinking of DNA by Decarbamoylmitomycin C.

PubMed

Aguilar, William; Paz, Manuel M; Vargas, Anayatzinc; Clement, Cristina C; Cheng, Shu-Yuan; Champeil, Elise

2018-04-20

Mitomycin C (MC), a potent antitumor drug, and decarbamoylmitomycin C (DMC), a derivative lacking the carbamoyl group, form highly cytotoxic DNA interstrand crosslinks. The major interstrand crosslink formed by DMC is the C1'' epimer of the major crosslink formed by MC. The molecular basis for the stereochemical configuration exhibited by DMC was investigated using biomimetic synthesis. The formation of DNA-DNA crosslinks by DMC is diastereospecific and diastereodivergent: Only the 1''S-diastereomer of the initially formed monoadduct can form crosslinks at GpC sequences, and only the 1''R-diastereomer of the monoadduct can form crosslinks at CpG sequences. We also show that CpG and GpC sequences react with divergent diastereoselectivity in the first alkylation step: 1"S stereochemistry is favored at GpC sequences and 1''R stereochemistry is favored at CpG sequences. Therefore, the first alkylation step results, at each sequence, in the selective formation of the diastereomer able to generate an interstrand DNA-DNA crosslink after the "second arm" alkylation. Examination of the known DNA adduct pattern obtained after treatment of cancer cell cultures with DMC indicates that the GpC sequence is the major target for the formation of DNA-DNA crosslinks in vivo by this drug. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Distributed Motor Controller (DMC) for Operation in Extreme Environments

NASA Technical Reports Server (NTRS)

McKinney, Colin M.; Yager, Jeremy A.; Mojarradi, Mohammad M.; Some, Rafi; Sirota, Allen; Kopf, Ted; Stern, Ryan; Hunter, Don

2012-01-01

This paper presents an extreme environment capable Distributed Motor Controller (DMC) module suitable for operation with a distributed architecture of future spacecraft systems. This motor controller is designed to be a bus-based electronics module capable of operating a single Brushless DC motor in extreme space environments: temperature (-120 C to +85 C required, -180 C to +100 C stretch goal); radiation (>;20K required, >;100KRad stretch goal); >;360 cycles of operation. Achieving this objective will result in a scalable modular configuration for motor control with enhanced reliability that will greatly lower cost during the design, fabrication and ATLO phases of future missions. Within the heart of the DMC lies a pair of cold-capable Application Specific Integrated Circuits (ASICs) and a Field Programmable Gate Array (FPGA) that enable its miniaturization and operation in extreme environments. The ASICs are fabricated in the IBM 0.5 micron Silicon Germanium (SiGe) BiCMOS process and are comprised of Analog circuitry to provide telemetry information, sensor interface, and health and status of DMC. The FPGA contains logic to provide motor control, status monitoring and spacecraft interface. The testing and characterization of these ASICs have yielded excellent functionality in cold temperatures (-135 C). The DMC module has demonstrated successful operation of a motor at temperature.

Effect of oxygen compounds addition on the hydrocracking of coal derived liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sato, Yoshiki; Kodera, Yoichi; Kamo, Tohru

1998-12-31

Coal derived liquid from liquefaction, coking and low temperature pyrolysis contains considerable amounts of alkylphenols with alkylbenzenes and alkylnaphthalenes. To produce and purify useful chemicals from coal-derived liquid, hydrocracking and hydrotreating of alkylphenol mixture is a very important process. In this study the effects of oxygen compounds such as dimethylcarbonate (DMC) addition on the hydrocracking of alkylphenols and coal-derived liquid were investigated to decrease hydrogen consumption due to the production of water from the removal of OH group. From the hydrocracking of 3,5-dimethylphenol (3,5-DMP) without DMC at 700 C, residence time of 3--10 sec under hydrogen-to-reactant molar ratio of moremore » than 10 using atmospheric flow apparatus with quartz reactor, m-xylene and m-cresol were produced with the production ratio of 1:1.8. However the dehydroxylation to produce m-xylene was decreased by the addition of 10% DMC with the 50% increased production ratio of 1:2.7. These are considered due to the strong interaction between OH group and DMC. Similar reaction behavior was observed in the hydrocracking of 2,5-DMP and the production ratio of (o-cresol + m-cresol)/p-xylene slightly increased from 3.0 to 3.5 by the addition of DMC. On the other hand, the products distribution did not change with and without DMC in the case of 2,6-DMP. This indicates the interaction is hindered by steric effect by the neighboring CH{sub 3} group. The effect of other oxygen compounds on the hydrocracking and the products distribution from the hydrocracking of coal-derived liquids is also discussed.« less

Diffusion Monte Carlo studies of MB-pol (H2O)2-6 and (D2O)2-6 clusters: Structures and binding energies

NASA Astrophysics Data System (ADS)

Mallory, Joel D.; Mandelshtam, Vladimir A.

2016-08-01

We employ the diffusion Monte Carlo (DMC) method in conjunction with the recently developed, ab initio-based MB-pol potential energy surface to characterize the ground states of small (H2O)2-6 clusters and their deuterated isotopomers. Observables, other than the ground state energies, are computed using the descendant weighting approach. Among those are various spatial correlation functions and relative isomer fractions. Interestingly, the ground states of all clusters considered in this study, except for the dimer, are delocalized over at least two conformations that differ by the orientation of one or more water monomers with the relative isomer populations being sensitive to the isotope substitution. Most remarkably, the ground state of the (H2O)6 hexamer is represented by four distinct cage structures, while that of (D2O)6 is dominated by the prism, i.e., the global minimum geometry, with a very small contribution from a prism-book geometry. In addition, for (H2O)6 and (D2O)6, we performed DMC calculations to compute the ground states constrained to the cage and prism geometries. These calculations compared results for three different potentials, MB-pol, TTM3/F, and q-TIP4P/F.

Clinical assessment of decision-making capacity in acquired brain injury with personality change.

PubMed

Owen, Gareth S; Freyenhagen, Fabian; Martin, Wayne; David, Anthony S

2017-01-01

Assessment of decision-making capacity (DMC) can be difficult in acquired brain injury (ABI) particularly with the syndrome of organic personality disorder (OPD) (the "frontal lobe syndrome"). Clinical neuroscience may help but there are challenges translating its constructs to the decision-making abilities considered relevant by law and ethics. An in-depth interview study of DMC in OPD was undertaken. Six patients were purposefully sampled and rich interview data were acquired for scrutiny using interpretative phenomenological analysis. Interview data revealed that awareness of deficit and thinking about psychological states can be present. However, the awareness of deficit may not be "online" and effectively integrated into decision-making. Without this online awareness of deficit the ability to appreciate or use and weigh information in the process of deciding some matters appeared absent. We argue that the decision-making abilities discussed are: (1) necessary for DMC, (2) threatened by ABI , and (3) assessable at interview. Some advice for practically incorporating these abilities within assessments of DMC in patients with OPD is outlined.

Novel choline-based ionic liquids as safe electrolytes for high-voltage lithium-ion batteries

NASA Astrophysics Data System (ADS)

Yong, Tianqiao; Zhang, Lingzhi; Wang, Jinglun; Mai, Yongjin; Yan, Xiaodan; Zhao, Xinyue

2016-10-01

Three choline-based ionic liquids functionalized with trimethylsilyl, allyl, and cynoethyl groups are synthesized in an inexpensive route as safe electrolytes for high-voltage lithium-ion batteries. The thermal stabilities, viscosities, conductivities, and electrochemical windows of these ILs are reported. Hybrid electrolytes were formulated by doping with 0.6 M LiPF6/0.4 M lithium oxalydifluoroborate (LiODFB) as salts and dimethyl carbonate (DMC) as co-solvent. By using 0.6 M LiPF6/0.4 M LiODFB trimethylsilylated choline-based IL (SN1IL-TFSI)/DMC as electrolyte, LiCoO2/graphite full cell showed excellent cycling performance with a capacity of 152 mAh g-1 and 99% capacity retention over 90 cycles at a cut-off voltage of 4.4 V. The propagation rate of SN1IL-TFSI)/DMC electrolyte is only one quarter of the commercial electrolyte (1 M LiPF6 EC/DEC/DMC, v/v/v = 1/1/1), suggesting a better safety feature.

Highly efficient extraction and lipase-catalyzed transesterification of triglycerides from Chlorella sp. KR-1 for production of biodiesel.

PubMed

Lee, Ok Kyung; Kim, Young Hyun; Na, Jeong-Geol; Oh, You-Kwan; Lee, Eun Yeol

2013-11-01

We developed a method for the highly efficient lipid extraction and lipase-catalyzed transesterification of triglyceride from Chlorella sp. KR-1 using dimethyl carbonate (DMC). Almost all of the total lipids, approximately 38.9% (w/w) of microalgae dry weight, were extracted from the dried microalgae biomass using a DMC and methanol mixture (7:3 (v/v)). The extracted triglycerides were transesterified into fatty acid methyl esters (FAMEs) using Novozyme 435 as the biocatalyst in DMC. Herein, DMC was used as the reaction medium and acyl acceptor. The reaction conditions were optimized and the FAMEs yield was 293.82 mg FAMEs/g biomass in 6 h of reaction time at 60 °C in the presence of 0.2% (v/v) water. Novozyme 435 was reused more than ten times while maintaining relative FAMEs conversion that was greater than 90% of the initial FAMEs conversion. Copyright © 2013 Elsevier Ltd. All rights reserved.

Clinician perspectives on decision-making capacity after acquired brain injury.

PubMed

Mukherjee, Debjani; McDonough, Carol

2006-01-01

Acquired brain injury frequently alters an individual's ability to make health care decisions based on a clear understanding of the situation and options. This exploratory study investigated the ways health care providers address issues of decisionmaking capacity (DMC) on a daily, functional basis. 33 clinicians providing rehabilitation services to persons with acquired brain injury participated in 1 of 5 semi-structured focus groups. All 33 participants, representing 8 different occupations, agreed that DMC determinations affected their practice every day. Participants underscored a multidimensional rather than a unitary definition of DMC, with an emphasis on fluctuating capacities due to the injury. Important concerns were for the safety of the person with brain injury, the health care provider, and community members. Other themes included rehabilitation team involvement, family context, and professional socialization. Clinical determinations of DMC are context dependent and are affected by the abilities of the individual and the substance and consequences of the decision being made and include the concepts of regaining trust and reclaiming capacity.

Rapid analyses of dry matter content and carotenoids in fresh cassava roots using a portable visible and near infrared spectrometer (Vis/NIRS).

PubMed

Ikeogu, Ugochukwu N; Davrieux, Fabrice; Dufour, Dominique; Ceballos, Hernan; Egesi, Chiedozie N; Jannink, Jean-Luc

2017-01-01

Portable Vis/NIRS are flexible tools for fast and unbiased analyses of constituents with minimal sample preparation. This study developed calibration models for dry matter content (DMC) and carotenoids in fresh cassava roots using a portable Vis/NIRS system. We examined the effects of eight data pre-treatment combinations on calibration models and assessed calibrations on processed and intact root samples. We compared Vis/NIRS derived-DMC to other phenotyping methods. The results of the study showed that the combination of standard normal variate and de-trend (SNVD) with first derivative calculated on two data points and no smoothing (SNVD+1111) was adequate for a robust model. Calibration performance was higher with processed than the intact root samples for all the traits although intact root models for some traits especially total carotenoid content (TCC) (R2c = 96%, R2cv = 90%, RPD = 3.6 and SECV = 0.63) were sufficient for screening purposes. Using three key quality traits as templates, we developed models with processed fresh root samples. Robust calibrations were established for DMC (R2c = 99%, R2cv = 95%, RPD = 4.5 and SECV = 0.9), TCC (R2c = 99%, R2cv = 91%, RPD = 3.5 and SECV = 2.1) and all Trans β-carotene (ATBC) (R2c = 98%, R2cv = 91%, RPD = 3.5 and SECV = 1.6). Coefficient of determination on independent validation set (R2p) for these traits were also satisfactory for ATBC (91%), TCC (88%) and DMC (80%). Compared to other methods, Vis/NIRS-derived DMC from both intact and processed roots had very high correlation (>0.95) with the ideal oven-drying than from specific gravity method (0.49). There was equally a high correlation (0.94) between the intact and processed Vis/NIRS DMC. Therefore, the portable Vis/NIRS could be employed for the rapid analyses of DMC and quantification of carotenoids in cassava for nutritional and breeding purposes.

One-Pot Preparation of Dimethyl Isosorbide from d-Sorbitol via Dimethyl Carbonate Chemistry.

PubMed

Aricò, F; Aldoshin, A S; Tundo, P

2017-01-10

Direct synthesis of dimethyl isosorbide (DMI) from d-sorbitol via dimethyl carbonate (DMC) chemistry is herein first reported. High yield of DMI was achieved using the nitrogen superbase 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) as catalyst and performing the reaction in a stainless steel autoclave by increasing the temperature from 90 to 200 °C. In this procedure, DMC features its full capacity acting in the different steps of the process as carboxymethylating, leaving-group (cyclization), and methylating agent; DMC is also employed as the reaction media. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Psychopathology, psychopharmacological properties, decision-making capacity to consent to clinical research and the willingness to participate among long-term hospitalized patients with schizophrenia.

PubMed

Wu, Bo-Jian; Liao, Hsun-Yi; Chen, Hsing-Kang; Lan, Tsuo-Hung

2016-03-30

Many studies discuss factors related to the decision-making capacity to consent to clinical research (DMC) of patients with schizophrenia. However, these studies rarely approached willingness to participate and the association between psychopharmacological properties (e.g., antipsychotic-induced side effects) and DMC. This study aimed to explore factors related to DMC and willingness to participate in patients with schizophrenia. All 139 patients with schizophrenia were assessed with the MacArthur Competence Assessment Tool for Clinical Research (MacCAT-CR) and other measures. A linear regression model was used to find the predictors of MacCAT-CR scores. A logistic regression model was used for exploring the predictors of willingness to participate. Patients with more severe negative symptoms performed poorly in DMC outcomes. In addition, females, those with fewer years of education and reduced cognitive function are more likely to experience difficulties in decision-making. Forty-three subjects (30.4%) chose to participate. Patients with higher level of positive symptoms, longer length of stay, higher burden of anticholinergics and users of atypical antipsychotics were more likely to participate in a clinical study which aimed to "enhance cognition". These finding suggest that research investigators should consider many variables for patients who require more intensive screening for impaired DMC. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Graft-transmissible movement of inverted-repeat-induced siRNA signals into flowers.

PubMed

Zhang, Wenna; Kollwig, Gregor; Stecyk, Ewelina; Apelt, Federico; Dirks, Rob; Kragler, Friedrich

2014-10-01

In plants, small interfering RNAs (siRNA) and microRNAs move to distant tissues where they control numerous developmental and physiological processes such as morphogenesis and stress responses. Grafting techniques and transient expression systems have been employed to show that sequence-specific siRNAs with a size of 21-24 nucleotides traffic to distant organs. We used inverted-repeat constructs producing siRNA targeting the meiosis factor DISRUPTED MEIOTIC cDNA 1 (DMC1) and GFP to test whether silencing signals move into meiotically active tissues. In grafted Nicotiana tabacum, a transgenic DMC1 siRNA signal made in source tissues preferably entered the anthers formed in the first flowers. Here, the DMC1 siRNA interfered with meiotic progression and, consequently, the flowers were at least partially sterile. In agro-infiltrated N. benthamiana plants, a GFP siRNA signal produced in leaves was allocated and active in most flower tissues including anthers. In hypocotyl-grafted Arabidopsis thaliana plants, the DMC1 silencing signal consistently appeared in leaves, petioles, and stem, and only a small number of plants displayed DMC1 siRNA signals in flowers. In all three tested plant species the systemic silencing signal penetrated male sporogenic tissues suggesting that plants harbour an endogenous long-distance small RNA transport pathway facilitating siRNA signalling into meiotically active cells. © 2014 The Authors The Plant Journal © 2014 John Wiley & Sons Ltd.

Diallel analysis of provitamin A carotenoid and dry matter content in cassava (Manihot esculenta Crantz)

PubMed Central

Esuma, Williams; Kawuki, Robert S.; Herselman, Liezel; Labuschagne, Maryke Tine

2016-01-01

Global efforts are underway to biofortify cassava (Manihot esculenta Crantz) with provitamin A carotenoids to help combat dietary vitamin A deficiency afflicting the health of more than 500 million resource-poor people in Sub-Saharan Africa. To further the biofortification initiative in Uganda, a 6×6 diallel analysis was conducted to estimate combining ability of six provitamin A clones and gene actions controlling total carotenoid content (TCC), dry matter content (DMC) in cassava roots and other relevant traits. Fifteen F1 families generated from the diallel crosses were evaluated in two environments using a randomized complete block design. General combining ability (GCA) effects were significant for TCC and DMC, suggesting the relative importance of additive gene effects in controlling these traits in cassava. On the other hand, non-additive effects were predominant for root and shoot weight. MH02-073HS, with the highest level of TCC, was the best general combiner for TCC while NASE 3, a popular white-fleshed variety grown by farmers in Uganda, was the best general combiner for DMC. Such progenitors with superior GCA effects could form the genetic source for future programs targeting cassava breeding for TCC and DMC. A negative correlation was observed between TCC and DMC, which will require breeding strategies to combine both traits for increased adoption of provitamin A cassava varieties. PMID:27795688

Using Spacecraft in Climate and Natural Disasters Registration

NASA Astrophysics Data System (ADS)

Sokol, Galyna; Kotlov, Vladyslav; Khorischenko, Oleksandr; Davydova, Angelica; Heti, Kristina

2017-04-01

Since the beginning of the space age it become possible the global monitoring of the planet Earth's state. Since the second half of the 20th century there are observations of the atmosphere's state and the Earth's climate have been held by a spacecraft. Also become possible large-scale monitoring of climate change. An attempt was made to define the role of infrasound in the interaction between a space weather, climate and biosphere of the Earth using spacecraft sensors recording. Many countries are involving in the detection of earthquakes, predicting volcanic eruptions and floods and also the monitoring of irregular solar activity. Understanding this leads to the conclusion that international cooperation for the protection of humanity is not only a political priority in the international arena, but also a question of the quality of living standards of any state. Commonly known following monitoring systems: Disaster Monitoring Constellation (DMC), FUEGO program (Spain), Sentinel-Asia program (Japan) and International aerospace system for monitoring of global phenomena (MAKCM, Russia). The Disaster Monitoring Constellation for International Imaging (DMCii) consists of a number of remote sensing satellites constructed by Surrey Satellite Technology Ltd (SSTL) and operated for the Algerian, Nigerian, Turkish, British and Chinese governments by DMC International Imaging. The DMC has monitored the effects and aftermath of the Indian Ocean Tsunami (December 2004), Hurricane Katrina (August 2005), and many other floods, fires and disasters. The individual DMC satellites are: 1. First generation satellites (AlSAT-1 - Algeria, BilSAT - Turkey, NigeriaSAT-1 - Nigeria, UK-DMC - United Kingdom); 2. Second generation satellites (Beijing - China, UK-DMC 2 - United Kingdom, Deimos-1 - Spanish commercial, NigeriaSAT-2 and NigeriaSAT-X). The sun-synchronous orbits of these satellites are coordinated so that the satellites follow each other around an orbital plane, ascending north over the Equator at 10:15 am local time (and 10:30 am local time for Beijing-1). Some of these satellites also include other imaging payloads and experimental payloads: onboard hardware-based image compression (on BilSAT), a GPS reflectometry experiment and onboard Internet router (on the UK-DMC satellite). The DMC satellites are notable for communicating with their ground stations using the Internet Protocol for payload data transfer and command and control, so extending the Internet into space, and allowing experiments with the Interplanetary Internet to be carried out. Many of the technologies used in the design of the DMC satellites, including Internet Protocol use, were tested in space beforehand on SSTL's earlier UoSAT-12 satellite. Currently, there is a great need to establish combining space and ground-based observation systems that will accurately capture key climate variables on a scale from regional to global and stable functioning for decades to determine climate variability and trends. With the help of modern computer systems were calculated moving of infrasonic waves in the atmosphere. This data can be used to predict the weather.

Fixation of carbon dioxide into dimethyl carbonate over titanium-based zeolitic thiophene-benzimidazolate framework

EPA Science Inventory

A titanium-based zeolitic thiophene-benzimidazolate framework has been designed for the direct synthesis of dimethyl carbonate (DMC) from methanol and carbon dioxide. The developed catalyst activates carbon dioxide and delivers over 16% yield of DMC without the use of any dehydra...

Establishing a green platform for biodiesel synthesis via strategic utilization of biochar and dimethyl carbonate.

PubMed

Lee, Jechan; Jung, Jong-Min; Oh, Jeong-Ik; Sik Ok, Yong; Kwon, Eilhann E

2017-10-01

To establish a green platform for biodiesel production, this study mainly investigates pseudo-catalytic (non-catalytic) transesterification of olive oil. To this end, biochar from agricultural waste (maize residue) and dimethyl carbonate (DMC) as an acyl acceptor were used for pseudo-catalytic transesterification reaction. Reaction parameters (temperature and molar ratio of DMC to olive oil) were also optimized. The biodiesel yield reached up to 95.4% under the optimal operational conditions (380°C and molar ratio of DMC to olive oil (36:1)). The new sustainable environmentally benign biodiesel production introduced in this study is greener and faster than conventional transesterification reactions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Fixation of carbon dioxide into dimethyl carbonate over ...

EPA Pesticide Factsheets

A titanium-based zeolitic thiophene-benzimidazolate framework has been designed for the direct synthesis of dimethyl carbonate (DMC) from methanol and carbon dioxide. The developed catalyst activates carbon dioxide and delivers over 16% yield of DMC without the use of any dehydrating agent or requirement for azeotropic distillation. Prepared for submission to Nature Scientific reports.

The Career Decision-Making Competence: A New Construct for the Career Realm

ERIC Educational Resources Information Center

Ceschi, Andrea; Costantini, Arianna; Phillips, Susan D.; Sartori, Riccardo

2017-01-01

Purpose: This paper aims to link findings from laboratory-based decision-making research and decision-making competence (DMC) aspects that may be central for career-related decision-making processes. Past research has identified individual differences in rational responses in decision situations, which the authors refer to as DMC. Although there…

Active control of methanol carbonylation selectivity over Au/carbon anode by electrochemical potential.

PubMed

Funakawa, Akiyasu; Yamanaka, Ichiro; Otsuka, Kiyoshi

2005-05-12

Electrochemical oxidative carbonylation of methanol was studied over Au supported carbon anode in CO. The major carbonylation products were dimethyl oxalate (DMO) and dimethyl carbonate (DMC). The minor oxidation products were dimethoxy methane (DMM) and methyl formate (MF) from methanol and CO(2). Influences of various reaction conditions were studied on carbonylation activities and selectivities. The selectivities to DMO and DMC can be controlled by the electrochemical potential. Electrocatalysis of Au/carbon anode was studied by cyclic voltammetry (CV), stoichiometric reactions among Au(3+), methanol, and CO, and UV-vis spectra. The Au/carbon anode was characterized by XRD, SEM, and BE images before and after the carbonylation. These experimental facts strongly suggest that transition of oxidation states of Au affects changing of the carbonylation selectivities to DMO and DMC. Au(0) is the active species for the selective DMO formation by direct electrochemical carbonylation at low potentials (<+1.2 V (Ag/AgCl)). On the other hand, Au(3+) is the active spices for the selective DMC formation by indirect electrochemical carbonylation through Au(3+)/Au(+) redox at high potentials (>+1.3 V).

The Importance of Electron Correlation on Stacking Interaction of Adenine-Thymine Base-Pair Step in B-DNA: A Quantum Monte Carlo Study.

PubMed

Hongo, Kenta; Cuong, Nguyen Thanh; Maezono, Ryo

2013-02-12

We report fixed-node diffusion Monte Carlo (DMC) calculations of stacking interaction energy between two adenine(A)-thymine(T) base pairs in B-DNA (AA:TT), for which reference data are available, obtained from a complete basis set estimate of CCSD(T) (coupled-cluster with singles, doubles, and perturbative triples). We consider four sets of nodal surfaces obtained from self-consistent field calculations and examine how the different nodal surfaces affect the DMC potential energy curves of the AA:TT molecule and the resulting stacking energies. We find that the DMC potential energy curves using the different nodes look similar to each other as a whole. We also benchmark the performance of various quantum chemistry methods, including Hartree-Fock (HF) theory, second-order Møller-Plesset perturbation theory (MP2), and density functional theory (DFT). The DMC and recently developed DFT results of the stacking energy reasonably agree with the reference, while the HF, MP2, and conventional DFT methods give unsatisfactory results.

Is 3-methyl-2-oxazolidinone a suitable solvent for lithium-ion batteries?

NASA Astrophysics Data System (ADS)

Gzara, L.; Chagnes, A.; Carré, B.; Dhahbi, M.; Lemordant, D.

3-Methyl-2-oxazolidinone (MeOx) has been mixed to ethylene carbonate (EC) or dimethyl carbonate (DMC) in presence of lithium tetrafluoroborate (LiBF 4) or lithium hexafluorophosphate (LiPF 6) for use as electrolyte in lithium batteries. The optimized electrolytes in term of conductivity and viscosity are MeOx:EC, x(MeOx) = 0.5 and MeOx:DMC, x(MeOx) = 0.4 in presence of LiBF 4 (1 M) or LiPF 6 (1 M). MeOx:EC electrolytes have a better thermal stability than MeOx:DMC electrolytes but the low wettability of the Celgard separator by MeOx:EC prevents its use in lithium batteries. No lithium insertion-deinsertion occurs when LiPF 6 is used as salt in MeOx-based electrolytes. MeOx:DMC, x(MeOx) = 0.4 + LiBF 4 (1 M) exhibits a good cycling ability at a graphite electrode but all the investigated electrolytes containing MeOx have a low stability in oxidation at a lithium cobalt oxide electrode (Li xCoO 2).

Greater decision-making competence is associated with greater expected-value sensitivity, but not overall risk taking: an examination of concurrent validity.

PubMed

Parker, Andrew M; Weller, Joshua A

2015-01-01

Decision-making competence reflects individual differences in the susceptibility to committing decision-making errors, measured using tasks common from behavioral decision research (e.g., framing effects, under/overconfidence, following decision rules). Prior research demonstrates that those with higher decision-making competence report lower incidence of health-risking and antisocial behaviors, but there has been less focus on intermediate processes that may impact real-world decisions, and, in particular, those implicated by normative models. Here we test the associations between measures of youth decision-making competence (Y-DMC) and one such process, the degree to which individuals make choices consistent with maximizing expected value (EV). Using a task involving hypothetical gambles, we find that greater EV sensitivity is associated with greater Y-DMC. Higher Y-DMC scores are associated with (a) choosing risky options when EV favors those options and (b) avoiding risky options when EV favors a certain option. This relationship is stronger for gambles that involved potential losses. The results suggest that Y-DMC captures decision processes consistent with standard normative evaluations of risky decisions.

Novel application of thermally expanded graphite as the support of catalysts for direct synthesis of DMC from CH3OH and CO2.

PubMed

Bian, J; Xiao, M; Wang, S J; Lu, Y X; Meng, Y Z

2009-06-01

Novel Cu-Ni bimetallic catalysts supported on thermally expanded graphite (TEG) were prepared as an example to show the particular characteristics of TEG as a carbon support material. The structures of TEG and the synthesized Cu-Ni/TEG catalysts were characterized using BET, FTIR, TG, SEM, TEM, XRD and TPR techniques. The catalytic activities of the prepared catalysts were investigated by performing micro-reaction in the direct synthesis of dimethyl carbonate (DMC) from CH3OH and CO2. The experimental results indicated that the prepared Cu-Ni/TEG catalysts exhibited highly catalytic activity. Under the optimal catalytic conditions at 100 degrees C and under 1.2 MPa, the highest conversion of CH3OH of 4.97% and high selectivity of DMC of 89.3% can be achieved. The highly catalytic activity of Cu-Ni/TEG in DMC synthesis can be attributed to the synergetic effects of metal Cu, Ni and Cu-Ni alloy in the activation of CH3OH and CO2 and the particular characteristics of TEG as a carbon support material.

Linking Theoretical Decision-making Mechanisms in the Simon Task with Electrophysiological Data: A Model-based Neuroscience Study in Humans.

PubMed

Servant, Mathieu; White, Corey; Montagnini, Anna; Burle, Borís

2016-10-01

A current challenge for decision-making research is in extending models of simple decisions to more complex and ecological choice situations. Conflict tasks (e.g., Simon, Stroop, Eriksen flanker) have been the focus of much interest, because they provide a decision-making context representative of everyday life experiences. Modeling efforts have led to an elaborated drift diffusion model for conflict tasks (DMC), which implements a superimposition of automatic and controlled decision activations. The DMC has proven to capture the diversity of behavioral conflict effects across various task contexts. This study combined DMC predictions with EEG and EMG measurements to test a set of linking propositions that specify the relationship between theoretical decision-making mechanisms involved in the Simon task and brain activity. Our results are consistent with a representation of the superimposed decision variable in the primary motor cortices. The decision variable was also observed in the EMG activity of response agonist muscles. These findings provide new insight into the neurophysiology of human decision-making. In return, they provide support for the DMC model framework.

Boosting the value of biodiesel byproduct by the non-catalytic transesterification of dimethyl carbonate via a continuous flow system under ambient pressure.

PubMed

Kwon, Eilhann E; Yi, Haakrho; Jeon, Young Jae

2014-10-01

Transformation of coconut oil into biodiesel by using dimethyl carbonate (DMC) via a non-catalytic transesterification reaction under ambient pressure was investigated in this study. The non-catalytic transformation to biodiesel was achieved by means of a heterogeneous reaction between liquid triglycerides and gas phase DMC. The reaction was enhanced in the presence of porous material due to its intrinsic physical properties such as tortuosity and absorption/adsorption. The numerous pores in the material served as micro reaction chambers and ensured that there was enough contact time between the liquid triglycerides and the gaseous DMC, which enabled the completion of the transesterification. The highest fatty acid methyl esters (FAMEs) yield achieved was 98±0.5% within 1-2min at a temperature of 360-450°C under ambient pressure. The fast reaction rates made it possible to convert the lipid feedstock into biodiesel via a continuous flow system without the application of increased pressure. This suggested that the commonly used supercritical conditions could be avoided, resulting in huge cost benefits for biodiesel production. In addition, the high value of the byproduct from the transesterification of the lipid feedstock with DMC suggested that the production biodiesel using this method could be more economically competitive. Finally, the basic properties of biodiesel derived from the non-catalytic conversion of rapeseed oil with DMC were summarised. Copyright © 2014 Elsevier Ltd. All rights reserved.

From Revolution to Evolution: 21 Years of the IRIS Data Management Facility

NASA Astrophysics Data System (ADS)

Benson, R. B.; Ahern, T. K.; Trabant, C. M.; Casey, R.

2009-12-01

A revolution is defined as a "drastic and far-reaching change in the way of thinking and behaving", and this describes the effect that the IRIS Data Management System (DMS) has had in the framework of seismological research. The IRIS Data Management Center (DMC) prototype began operation at theUniversity of Texas at Austin in 1988 and has evolved to to a fully functioning facility at the University of Washington in Seattle. The focus of this submission is to share an historical timeline of events related to the DMC, a bit of scrap-booking perhaps, centered around the business of waveform data management conducted by IRIS and it's partners. We hope to illustrate how the successful philosophy of sharing unrestricted data, openly collaborating with a global network of networks, and partnering with computer and software industry vendors that have supported our community's academic research, has enabled generations of seismologists to both curate and continually "mine" the ever-growing 45 years of digital data currently stored in the perpetual archive located in Seattle, WA. At the time that the Loma Prieta Earthquake shook and burned San Francisco on October 17, 1989, there were only 3 stations which had dial-up modems enabling what then was considered "fast access" to waveform data delivery from them back to the DMC. This was considered the first test of the DMC, since waveform data were collected and distributed within days of this event. But this was only a foretelling of things to come, since the rates of archiving and distribution have continually grown to a current 1900+ stations and a 17,000+ channel count of real-time data streaming in and out of the DMC daily, totaling 50 Terabytes of data shipped in 2009 alone. We will attempt to summarize the important technological challenges, solutions, and growth of the DMC with the goal of illustrating that "if you build it, they will come", and how this could be useful to other organizations.

Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: Energetics, occupancy, and vibrationally averaged cluster structures

NASA Astrophysics Data System (ADS)

Sebastianelli, Francesco; Xu, Minzhong; Bačić, Zlatko

2008-12-01

We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H2 (p-H2) and ortho-D2 (o-D2) molecules inside the large hexakaidecahedral (51264) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H2)n and (o-D2)n clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H2)4. At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H2 or D2 molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D2 molecules, their mean distance from the cage center, the D2-D2 separation, and the specific orientation and localization of the tetrahedral (D2)4 cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D2 occupancy.

Seismological Data Stewardship at the IRIS DMC: The Role of a Dedicated Data Management System for Seismology

NASA Astrophysics Data System (ADS)

Benson, R. B.; Ahern, T. K.; Trabant, C.; Casey, R.

2011-12-01

Since the founding of the Incorporated Research Institutions for Seismology (IRIS) in 1984, there has been a core program for data management, quite unique at the time, dedicated solely to ensuring that data recorded by IRIS and it's partners had a perpetual data management framework that ensures data will be searchable, well-documented, and preserved so that future generations can, at it's core, have an accurate history of ground motion recordings. This goal is manifest in the IRIS Data Management System, or DMS. The mission of this NSF-EAR facility is "To provide reliable and efficient access to high quality seismological and related geophysical data, generated by IRIS and its domestic and international partners, and to enable all parties interested in using these data to do so in a straightforward and efficient manner". This presentation will focus on the data management business rules that capture the data life-cycle of 3 different segments of seismological and related geophysical data managed by IRIS: - Images and parametric information of historical analog data, - Non-real time quality-controlled digital data, - Real time data that streams into the DMC through a number of different protocols. We will describe how data collection, curation, and distribution to users are cataloged to provide an accurate provenance log of contributed data, which are passed along to both the consumer and network data provider. In addition, we will discuss the need and business rules that apply to metadata and how it is managed.

Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: energetics, occupancy, and vibrationally averaged cluster structures.

PubMed

Sebastianelli, Francesco; Xu, Minzhong; Bacić, Zlatko

2008-12-28

We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H(2) (p-H(2)) and ortho-D(2) (o-D(2)) molecules inside the large hexakaidecahedral (5(12)6(4)) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H(2))(n) and (o-D(2))(n) clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H(2))(4). At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H(2) or D(2) molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D(2) molecules, their mean distance from the cage center, the D(2)-D(2) separation, and the specific orientation and localization of the tetrahedral (D(2))(4) cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D(2) occupancy.

Preparation and properties of dough-modeling compound/fly ash/reclaim powder composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, W.L.

A novel composite was prepared with reclaim powder (RP) matrix, dough-modeling compound (DMC) reinforcement and fly ash (FA) filler in this article. The compatibility and crosslinking construction of the FA/RP composites were respectively, studied by the polarizing microscope and IR, the optimal formulation and experimental process were determined by measuring the mechanical properties such as shore A hardness, tensile strength, elongation at break, wear resistance and the thermal stability. The results showed that DMC/FA/RP composites exhibited extremely high mechanical and thermal properties when the mass ratio of the DMC/FA/RP composites was 45/25/100, and the cure condition is at 145 {supmore » o}C for 30 min under 9 MPa.« less

Quasiparticle and excitonic gaps of one-dimensional carbon chains.

PubMed

Mostaani, E; Monserrat, B; Drummond, N D; Lambert, C J

2016-06-01

We report diffusion quantum Monte Carlo (DMC) calculations of the quasiparticle and excitonic gaps of hydrogen-terminated oligoynes and extended polyyne. The electronic gaps are found to be very sensitive to the atomic structure in these systems. We have therefore optimised the geometry of polyyne by directly minimising the DMC energy with respect to the lattice constant and the Peierls-induced carbon-carbon bond-length alternation. We find the bond-length alternation of polyyne to be 0.136(2) Å and the excitonic and quasiparticle gaps to be 3.30(7) and 3.4(1) eV, respectively. The DMC zone-centre longitudinal optical phonon frequency of polyyne is 2084(5) cm(-1), which is consistent with Raman spectroscopic measurements for large oligoynes.

Diffusion Monte Carlo studies of MB-pol (H{sub 2}O){sub 2−6} and (D{sub 2}O){sub 2−6} clusters: Structures and binding energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mallory, Joel D.; Mandelshtam, Vladimir A.

2016-08-14

We employ the diffusion Monte Carlo (DMC) method in conjunction with the recently developed, ab initio-based MB-pol potential energy surface to characterize the ground states of small (H{sub 2}O){sub 2−6} clusters and their deuterated isotopomers. Observables, other than the ground state energies, are computed using the descendant weighting approach. Among those are various spatial correlation functions and relative isomer fractions. Interestingly, the ground states of all clusters considered in this study, except for the dimer, are delocalized over at least two conformations that differ by the orientation of one or more water monomers with the relative isomer populations being sensitivemore » to the isotope substitution. Most remarkably, the ground state of the (H{sub 2}O){sub 6} hexamer is represented by four distinct cage structures, while that of (D{sub 2}O){sub 6} is dominated by the prism, i.e., the global minimum geometry, with a very small contribution from a prism-book geometry. In addition, for (H{sub 2}O){sub 6} and (D{sub 2}O){sub 6}, we performed DMC calculations to compute the ground states constrained to the cage and prism geometries. These calculations compared results for three different potentials, MB-pol, TTM3/F, and q-TIP4P/F.« less

Ultra Low-Cost Radar

NASA Astrophysics Data System (ADS)

Davies, P.; da Silva Curiel, A.; Eves, S.; Sweeting, M.; Thompson, A.; Hall, D.

From early 2003, Surrey Satellite Technology Limited (SSTL), together with its partners from Algeria, Nigeria and Turkey, has operated the Disaster Monitoring Constellation (DMC). During this period we have demonstrated the utility of a low-cost satellite system that uses optical sensors and is capable of providing daily imaging globally. For example, DMC data has been used operationally in the relief work in Darfur and following the Asian Tsunami. In addition to the use of the DMC to support disasters, the DMC has also been extensively used by the consortium members in support of national imaging needs and some residual system capacity has been provided to commercial customers. In the same timeframe, EADS Astrium Ltd has developed the technologies needed to implement the low-cost radar satellites of the MicroSAR range of synthetic aperture radar (SAR) satellites. EADS Astrium Ltd and SSTL are now looking to combine their expertises in low cost space technology and extend the capability of the DMC constellation by including a complementary small satellite radar sensor. The product of this activity is a satellite design that strikes an appropriate balance between revisit frequency and resolution. Hence, by comparison with other small satellite SAR concepts, the satellite described in this paper will provide broader area coverage at spatial resolutions in the region of 10 - 15m. Most significantly, perhaps, as a result of the specific cost targets imposed at the beginning of the design process, the satellite can provide this level of performance at a lower cost than other comparable space-based radar systems and significantly lower than larger, more performant, space-based radar systems.

Sufficient Amounts of Functional HOP2/MND1 Complex Promote Interhomolog DNA Repair but Are Dispensable for Intersister DNA Repair during Meiosis in Arabidopsis[W

PubMed Central

Uanschou, Clemens; Ronceret, Arnaud; Von Harder, Mona; De Muyt, Arnaud; Vezon, Daniel; Pereira, Lucie; Chelysheva, Liudmila; Kobayashi, Wataru; Kurumizaka, Hitoshi; Schlögelhofer, Peter; Grelon, Mathilde

2013-01-01

During meiosis, homologous recombination (HR) is essential to repair programmed DNA double-strand breaks (DSBs), and a dedicated protein machinery ensures that the homologous chromosome is favored over the nearby sister chromatid as a repair template. The HOMOLOGOUS-PAIRING PROTEIN2/MEIOTIC NUCLEAR DIVISION PROTEIN1 (HOP2/MND1) protein complex has been identified as a crucial factor of meiotic HR in Arabidopsis thaliana, since loss of either MND1 or HOP2 results in failure of DNA repair. We isolated two mutant alleles of HOP2 (hop2-2 and hop2-3) that retained the capacity to repair meiotic DSBs via the sister chromatid but failed to use the homologous chromosome. We show that in these alleles, the recombinases RADIATION SENSITIVE51 (RAD51) and DISRUPTED MEIOTIC cDNA1 (DMC1) are loaded, but only the intersister DNA repair pathway is activated. The hop2-2 phenotype is correlated with a decrease in HOP2/MND1 complex abundance. In hop2-3, a truncated HOP2 protein is produced that retains its ability to bind to DMC1 and DNA but forms less stable complexes with MND1 and fails to efficiently stimulate DMC1-driven D-loop formation. Genetic analyses demonstrated that in the absence of DMC1, HOP2/MND1 is dispensable for RAD51-mediated intersister DNA repair, while in the presence of DMC1, a minimal amount of functional HOP2/MND1 is essential to drive intersister DNA repair. PMID:24363313

Relationship between dry matter content at harvest and maturity index and post-harvest quality of "Fuji" apples

USDA-ARS?s Scientific Manuscript database

Two experiments were carried out to evaluate the relationship between dry matter content (DMC) and maturity index of ‘Fuji’ apple fruit sports (‘Mishima’, ‘Fuji Select’ and ‘Fuji Suprema’) during the final stage of fruit growth, and the relationship between DMC at harvest and the post-harvest fruit ...

Methylation of Brazilein on Secang (Caesalpinia sappan Linn) Wood Extract for Maintain Color Stability to the Changes of pH

NASA Astrophysics Data System (ADS)

Ulma, Zeni; Rahayuningsih, Edia; Dwi Wahyuningsih, Tutik

2018-01-01

The stability of natural dyes to the changes of pH is really necessary when the natural dyes are applied either on fabric or food. This research aimed to increase the stability of brazilein, a compound contained within the secang wood extract, to the changes of pH. The methylation process was done by reacting Dimethyl Carbonate (DMC) with the brazilein on the secang wood extract. DMC acts as a substance that substitute hydroxyl group on brazilein. The methylation reaction of brazilein on secang wood extract was operated on a three-necked round-bottomed flask fitted with mercury-sealed stirrer and reflux condenser under 80°C temperature and 250 rpm stirring speed. There were two variables observed in this research; the DMC amount ratio to the amount of secang wood extract and the time of the methylation process. The research showed that at the 1:10 the DMC amount ratio to the amount of wood extract and 8 hours of the methylation process give the better stability of color of the secang wood extract than the variation of the other variables.

Modified silicas with different structure of grafted methylphenylsiloxane layer

NASA Astrophysics Data System (ADS)

Bolbukh, Yuliia; Terpiłowski, Konrad; Kozakevych, Roman; Sternik, Dariusz; Deryło-Marczewska, Anna; Tertykh, Valentin

2016-06-01

The method of a chemical assembly of the surface polymeric layer with high contents of the modifying agent was developed. Powders of nanodispersed silica with chemisorbed polymethylphenylsiloxane (PMPS) were synthesized by solvent-free chemical assembly technique with a dimethyl carbonate (DMC) as scission agent. Samples were characterized using FTIR spectroscopy, transmission electron microscopy (TEM), atomic force microscopy (AFM), and elemental analysis (CHN analysis). Coating microstructure, morphology, and hydrophilic-hydrophobic properties of nanoparticles were estimated. The results indicate a significant effect of the PMPS/DMC ratio at each modification stage on hydrophobic properties of modified silicas. Modification with a similar composition of the PMPS/DMC mixture, even with different polymer amount at each stage, provides the worst hydrophobicity. Results suggest that the highest hydrophobicity (contact angle θ = 135°-140°) is achieved in the case when silica modified with the PMPS/DMC mixture using multistage approach that providing a formation of the monomolecular layer of polysiloxane at the first modification step. The characteristics of surface structure were interpreted in terms of density of polymer-silica bonds at the interfaces that, usually, are reduced for modified surfaces, in a coupling with conformation model that accented the shape of chains (arch- and console-like) adsorbed on solid surfaces.

Investigation on the gaseous and particulate emissions of a compression ignition engine fueled with diesel-dimethyl carbonate blends.

PubMed

Cheung, C S; Zhu, Ruijun; Huang, Zuohua

2011-01-01

The effect of dimethyl carbonate (DMC) on the gaseous and particulate emissions of a diesel engine was investigated using Euro V diesel fuel blended with different proportions of DMC. Combustion analysis shows that, with the blended fuel, the ignition delay and the heat release rate in the premixed combustion phase increase, while the total combustion duration and the fuel consumed in the diffusion combustion phase decrease. Compared with diesel fuel, with an increase of DMC in the blended fuel, the brake thermal efficiency is slightly improved but the brake specific fuel consumption increases. On the emission side, CO increases significantly at low engine load but decreases at high engine load while HC decreases slightly. NO(x) reduces slightly but the reduction is not statistically significant, while NO(2) increases slightly. Particulate mass and number concentrations decrease upon using the blended fuel while the geometric mean diameter of the particles shifts towards smaller size. Overall speaking, diesel-DMC blends lead to significant improvement in particulate emissions while the impact on CO, HC and NO(x) emissions is small. Copyright © 2010 Elsevier B.V. All rights reserved.

Diffusion Monte Carlo calculations of Xenon and Krypton at High Pressure

NASA Astrophysics Data System (ADS)

Shulenburger, Luke; Mattsson, Thomas R.

2011-06-01

Ab initio calculations based on density functional theory (DFT) have proven a valuable tool in understanding the properties of materials at extreme conditions. However, there are entire classes of materials where the current limitations of DFT cast doubt upon the predictive power of the method. These include so called strongly correlated systems and materials where van der Waals forces are important. Diffusion Monte Carlo (DMC) can treat materials with a different class of approximations that have generally proven to be more accurate. The use of DMC together with DFT may therefore improve the predictive capability of the ab initio calculation of materials at extreme conditions. We present two examples of this approach. In the first we use DMC total energies to address the discrepancy between DFT and diamond anvil cell melt curves of Xe. In the second, DMC is used to address the choice of density functional used in calculations of the Kr hugoniot. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. Belonoshko et al. PRB 74, 054114 (2006).

Natural derivatives of curcumin attenuate the Wnt/{beta}-catenin pathway through down-regulation of the transcriptional coactivator p300

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryu, Min-Jung; Cho, Munju; Song, Jie-Young

2008-12-26

Curcumin, a component of turmeric (Curcuma longa), has been reported to suppress {beta}-catenin response transcription (CRT), which is aberrantly activated in colorectal cancer. However, the effects of its natural analogs (demethoxycurcumin [DMC] and bisdemethoxycurcumin [BDMC]) and metabolite (tetrahydrocurcumin [THC]) on the Wnt/{beta}-catenin pathway have not been investigated. Here, we show that DMC and BDMC suppressed CRT that was activated by Wnt3a conditioned-medium (Wnt3a-CM) without altering the level of intracellular {beta}-catenin, and inhibited the growth of various colon cancer cells, with comparable potency to curcumin. Additionally, DMC and BDMC down-regulated p300, which is a positive regulator of the Wnt/{beta}-catenin pathway. Notably,more » THC also inhibited CRT and cell proliferation, but to a much lesser degree than curcumin, DMC, or BDMC, indicating that the conjugated bonds in the central seven-carbon chain of curcuminoids are essential for the inhibition of Wnt/{beta}-catenin pathway and the anti-proliferative activity of curcuminoids. Thus, our findings suggest that curcumin derivatives inhibit the Wnt/{beta}-catenin pathway by decreasing the amount of the transcriptional coactivator p300.« less

Study of curcumin on microvasculature characteristic in diabetic rat's liver as revealed by vascular corrosion cast/scanning electron microscope (SEM) technique.

PubMed

Khimmaktong, Wipapan; Petpiboolthai, Hattaya; Panyarachun, Busaba; Anupunpisit, Vipavee

2012-05-01

To investigate the effect of curcumin on the structural change ofmicrovasculature in STZ-induced diabetic rat' liver. Diabetic rats were induced by streptozotocin (60 mg/kg BW). Male rats were divided into thre groups, control (C), diabetic (DM) and diabetic rats treated with curcumin (DMC) (200 mg/kg BW). After 8 weeks o experiments, blood vessels of rat's liver were studied under conventional light microscope (LM) and vascular corrosion cas technique with scanning electron microscope (SEM). LM observation demonstrated that there were pathology and destruction of liver tissues and microvasculature in diabetic animals. The sinusoids around central veins were dilated and filled with red blood cells. There was an accumulation of lipid droplets in the cytoplasm of hepatocytes and hepatocyte nuclei showed pathological sign of pyknosis. Moreover, the inflammation change of liver tissues revealed the infiltration of lymphocytes and increasing of collagen deposition in the area of portal triad. In curcumin-treated rats, the distinguished recovery of liver tissues showed regained normal pattern of central veins, sinusoids, hepatocytes and portal triad, when compared with liver tissues of control group. By using vascular corrosion casting with SEM, the liver blood vessels of DM group revealed higher and expanded sizes, compared with control group; proximal parts of portal veins (C = 577.75 +/- 126.23, DM = 892 +/- 35.79, DMC = 469.5 +/- 8553 microm), distal parts of portal veins (C = 76.72 +/- 1.48, DM = 200 +/- 31.05, DMC = 76.38 +/- 2.98 microm) and venules (C = 27.03 +/- 0.55, DM = 45.15 +/- 5.03, DMC = 28.38 +/- 3.67 microm) and corresponding to increased blood volumes compared with control group; proximal parts of portal veins (C = 20.8 +/- 1.28, DM = 62.2 +/- 3.39, DMC = 14.9 +/- 0.67 microm3), distal parts of portal veins (C = 0.46 +/- 0.03, DM = 3.81 +/- 0.18, DMC = 0.41 +/- 0.05 microm3) and venules (C = 0.05 +/- 0.05, DM = 0.24 +/- 0.013, DMC = 0.05 +/- 0.05 microm3) respectively. Fascinatingly, liver microvasculature in curcumin treated group developed into regenerate and repair into healthy and normal characteristics. Efficiency of curcumin treatment beneficially repaired and regenerated liver tissues of diabetic groups and also redeveloped the liver's microvascular complications. These results optimistically demonstrated the potential use of curcumin as a novel therapeutic agent in liver pathology of diabetic rats.

Three-dimensional motion aftereffects reveal distinct direction-selective mechanisms for binocular processing of motion through depth.

PubMed

Czuba, Thaddeus B; Rokers, Bas; Guillet, Kyle; Huk, Alexander C; Cormack, Lawrence K

2011-09-26

Motion aftereffects are historically considered evidence for neuronal populations tuned to specific directions of motion. Despite a wealth of motion aftereffect studies investigating 2D (frontoparallel) motion mechanisms, there is a remarkable dearth of psychophysical evidence for neuronal populations selective for the direction of motion through depth (i.e., tuned to 3D motion). We compared the effects of prolonged viewing of unidirectional motion under dichoptic and monocular conditions and found large 3D motion aftereffects that could not be explained by simple inheritance of 2D monocular aftereffects. These results (1) demonstrate the existence of neurons tuned to 3D motion as distinct from monocular 2D mechanisms, (2) show that distinct 3D direction selectivity arises from both interocular velocity differences and changing disparities over time, and (3) provide a straightforward psychophysical tool for further probing 3D motion mechanisms. © ARVO

Three-dimensional motion aftereffects reveal distinct direction-selective mechanisms for binocular processing of motion through depth

PubMed Central

Czuba, Thaddeus B.; Rokers, Bas; Guillet, Kyle; Huk, Alexander C.; Cormack, Lawrence K.

2013-01-01

Motion aftereffects are historically considered evidence for neuronal populations tuned to specific directions of motion. Despite a wealth of motion aftereffect studies investigating 2D (frontoparallel) motion mechanisms, there is a remarkable dearth of psychophysical evidence for neuronal populations selective for the direction of motion through depth (i.e., tuned to 3D motion). We compared the effects of prolonged viewing of unidirectional motion under dichoptic and monocular conditions and found large 3D motion aftereffects that could not be explained by simple inheritance of 2D monocular aftereffects. These results (1) demonstrate the existence of neurons tuned to 3D motion as distinct from monocular 2D mechanisms, (2) show that distinct 3D direction selectivity arises from both interocular velocity differences and changing disparities over time, and (3) provide a straightforward psychophysical tool for further probing 3D motion mechanisms. PMID:21945967

A density functional theory computational study of adsorption of Di-Meta-Cyano Azobenzene molecules on Si (111) surfaces

NASA Astrophysics Data System (ADS)

Motevalli, Benyamin; Taherifar, Neda; Wu, Bisheng; Tang, Wenxin; Liu, Jefferson Zhe

2017-11-01

The adsorption of di-meta-cyano azobenzene (DMC) cis and trans isomers on non-passivated and passivated Si (111) (7 × 7) surfaces is studied using density functional theory (DFT) calculations. Our results reveal that on the non-passivated surface the 12 Si adatoms are accessible to form chemical bonds with DMC molecules. Interestingly, the trans isomer forms two chemical bonds near the corner hole atom in Si (111) (7 × 7) surface, which is not observed in the widely studied metallic surfaces. The DMC isomers show significant structural distortion in the chemisorption case. The strong chemical bonds (and high bonding energy) could be detrimental to conformation switching between these two isomers under external stimuli. The physisorption case is also examined. Monte Carlo (MC) simulations with empirical force fields were employed to search about 106 different adsorption positions and DMC molecule orientations to identify the stable adsorption sites (up to six). The DFT-PBE and DFT-D2 calculations were then carried out to obtain the relaxed atomistic structures and accurate adsorption energy. We find that it is imperative to take van der Waals (vdW) interaction into account in DFT calculations. Our results show that the adsorption sites generally are encompassed by either the Si adatoms or the passivated H atoms, which could enhance the long-range dispersion interaction between DMC molecules and Si surfaces. The molecular structures of both isomers remain unchanged compared with gas phase. The obtained adsorption energy results ΔEads are moderate (0.2-0.8 eV). At some adsorption sites on the passivated surface, both isomers have similar moderate ΔEads (0.4-0.6 eV), implying promises of molecular switching that should be examined in experiments.

A systematic review of the reporting of Data Monitoring Committees' roles, interim analysis and early termination in pediatric clinical trials

PubMed Central

2009-01-01

Background Decisions about interim analysis and early stopping of clinical trials, as based on recommendations of Data Monitoring Committees (DMCs), have far reaching consequences for the scientific validity and clinical impact of a trial. Our aim was to evaluate the frequency and quality of the reporting on DMC composition and roles, interim analysis and early termination in pediatric trials. Methods We conducted a systematic review of randomized controlled clinical trials published from 2005 to 2007 in a sample of four general and four pediatric journals. We used full-text databases to identify trials which reported on DMCs, interim analysis or early termination, and included children or adolescents. Information was extracted on general trial characteristics, risk of bias, and a set of parameters regarding DMC composition and roles, interim analysis and early termination. Results 110 of the 648 pediatric trials in this sample (17%) reported on DMC or interim analysis or early stopping, and were included; 68 from general and 42 from pediatric journals. The presence of DMCs was reported in 89 of the 110 included trials (81%); 62 papers, including 46 of the 89 that reported on DMCs (52%), also presented information about interim analysis. No paper adequately reported all DMC parameters, and nine (15%) reported all interim analysis details. Of 32 trials which terminated early, 22 (69%) did not report predefined stopping guidelines and 15 (47%) did not provide information on statistical monitoring methods. Conclusions Reporting on DMC composition and roles, on interim analysis results and on early termination of pediatric trials is incomplete and heterogeneous. We propose a minimal set of reporting parameters that will allow the reader to assess the validity of trial results. PMID:20003383

Electrolytes for Li-Ion Cells in Low Temperature Applications

NASA Technical Reports Server (NTRS)

Smart, M. C.; Ratnakumar, B. V.; Surampudi, S.

2000-01-01

Prototype AA-size lithium-ion cells have been demonstrated to operate effectively at temperatures as low as -30 to -40 C. These improvements in low temperature cell performance have been realized by the incorporation of ethylene carbonate-based electrolytes which possess low melting, low viscosity cosolvents, such as methyl acetate, ethyl acetate, gamma-butyrolactone, and ethyl methyl carbonate. The cells containing a 0.75M LiPF6 EC+DEC+DMC+EMC (1:1:1:1) electrolyte displayed the best performance at -30 C (> 90% of the room temperature capacity at approximately C/15 rate), whereas, at -40 C the cells with the 0.75M LiPF6 EC+DEC+DMC+MA (1:1:1:1) and 0.75M LiPF6 EC+DEC+DMC+EA (1:1:1:1) electrolytes showed superior performance.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk; Cohen, R. E.; Department of Earth- and Environmental Sciences, Ludwig Maximilians Universität, Munich 80333

We studied the low-pressure (0–10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P2{sub 1}/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P2{sub 1}/c phase transition occurs at 2.1(1)more » GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.« less

Secure Autonomous Automated Scheduling (SAAS). Rev. 1.1

NASA Technical Reports Server (NTRS)

Walke, Jon G.; Dikeman, Larry; Sage, Stephen P.; Miller, Eric M.

2010-01-01

This report describes network-centric operations, where a virtual mission operations center autonomously receives sensor triggers, and schedules space and ground assets using Internet-based technologies and service-oriented architectures. For proof-of-concept purposes, sensor triggers are received from the United States Geological Survey (USGS) to determine targets for space-based sensors. The Surrey Satellite Technology Limited (SSTL) Disaster Monitoring Constellation satellite, the UK-DMC, is used as the space-based sensor. The UK-DMC's availability is determined via machine-to-machine communications using SSTL's mission planning system. Access to/from the UK-DMC for tasking and sensor data is via SSTL's and Universal Space Network's (USN) ground assets. The availability and scheduling of USN's assets can also be performed autonomously via machine-to-machine communications. All communication, both on the ground and between ground and space, uses open Internet standards

Selectivity control of carbonylation of methanol to dimethyl oxalate and dimethyl carbonate over gold anode by electrochemical potential.

PubMed

Funakawa, Akiyasu; Yamanaka, Ichiro; Takenaka, Sakae; Otsuka, Kiyoshi

2004-05-05

New and unique electrocatalysis of gold for the carbonylation of methanol to dimethyl oxalate (DMO) and dimethyl carbonate (DMC) was found. The selectivity to DMO and DMC could be controlled over gold anode by electrochemical potential, as you like. Drastic changes of gold electrocatalysis was due to changes of the oxidation state of gold, Au0 or Au3+.

Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F{sub 2} using selected configuration interaction trial wavefunctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giner, Emmanuel; Scemama, Anthony; Caffarel, Michel

2015-01-28

The potential energy curve of the F{sub 2} molecule is calculated with Fixed-Node Diffusion Monte Carlo (FN-DMC) using Configuration Interaction (CI)-type trial wavefunctions. To keep the number of determinants reasonable and thus make FN-DMC calculations feasible in practice, the CI expansion is restricted to those determinants that contribute the most to the total energy. The selection of the determinants is made using the CIPSI approach (Configuration Interaction using a Perturbative Selection made Iteratively). The trial wavefunction used in FN-DMC is directly issued from the deterministic CI program; no Jastrow factor is used and no preliminary multi-parameter stochastic optimization of themore » trial wavefunction is performed. The nodes of CIPSI wavefunctions are found to reduce significantly the fixed-node error and to be systematically improved upon increasing the number of selected determinants. To reduce the non-parallelism error of the potential energy curve, a scheme based on the use of a R-dependent number of determinants is introduced. Using Dunning’s cc-pVDZ basis set, the FN-DMC energy curve of F{sub 2} is found to be of a quality similar to that obtained with full configuration interaction/cc-pVQZ.« less

Outcomes of dual mobility cups in a young Middle Eastern population and its influence on life style.

PubMed

Assi, Chahine; El-Najjar, Elie; Samaha, Camille; Yammine, Kaissar

2017-03-01

Dual mobility cups (DMC) in total hip arthroplasty (THA) are becoming popular among orthopaedic surgeons. Substantial benefit of their use has been reported among high risk patients, particularly in reducing post-operative hip instability (dislocation). Many reports stated some concern when implanted in young and active people where complications such as polyethylene wear and mechanical loosening could potentially be higher. This Middle Eastern study analyses a retrospective series of THA for any aetiology other than infection, using DMC for the acetabular component in 75 patients (85 implants) less than 70 years old. No instability, intra-prosthetic dislocation or mechanical failure was reported during a mean follow-up of five years. The only major complication was a post-operative infection. The mean post- operative modified Harris hip score was 97.1 out of 100. All patients resumed their daily activities and all religious practicing patients were able to accomplish their prayer positions without pain. DMC is found to be an interesting option in reducing dislocation events in young patients. Those excellent short-term results would encourage surgeons to use DMC in an active and highly demanding population. Further research is necessary to confirm maintenance of such results at long term follow-up.

Urban Economies Resource Productivity and Decoupling: Metabolism Trends of 1996-2011 in Sweden, Stockholm, and Gothenburg.

PubMed

Kalmykova, Yuliya; Rosado, Leonardo; Patrício, João

2015-07-21

Resource productivity and evidence of economic decoupling were investigated on the basis of the time series in 1996-2011 of material flow analysis for Sweden, Stockholm, and Gothenburg. In the three cases, absolute reductions in CO2 emissions by about 20% were observed, energy consumption per capita decreased, while gross domestic product (GDP) per capita grew. The energy consumption of the residential and public sectors decreased drastically, while the transport energy consumption is still growing steadily. Decoupling of the economy as a whole (i.e., including materials) is not yet happening at any scale. The domestic material consumption (DMC) continues to increase, in parallel with the GDP. The rate of increase for DMC is slower than that for GDP in both Stockholm and Sweden as a whole (i.e., relative decoupling). The metabolism of the cities does not replicate the national metabolism, and the two cities each have their own distinct metabolism profiles. As a consequence, policy implications for each of the case studies were suggested. In general, because of the necessarily different roles of the two cities in the national economy, generic resource productivity benchmarks, such as CO2 per capita, should be avoided in favor of sectorial benchmarks, such as industry, transport, or residential CO2 per capita. In addition, the share of the city impacts caused by the provision of a service for the rest of the country, such as a port, could be allocated to the national economy.

Tactical Operations Analysis Support Facility.

DTIC Science & Technology

1981-05-01

Punch/Reader 2 DMC-11AR DDCMP Micro Processor 2 DMC-11DA Network Link Line Unit 2 DL-11E Async Serial Line Interface 4 Intel IN-1670 448K Words MOS Memory...86 5.3 VIRTUAL PROCESSORS - VAX-11/750 ........................... 89 5.4 A RELATIONAL DATA MANAGEMENT SYSTEM - ORACLE...Central Processing Unit (CPU) is a 16 bit processor for high-speed, real time applications, and for large multi-user, multi- task, time shared

Optimization of physicochemical characteristics of a lithium anode interface for high-efficiency cycling: an effect of electrolyte temperature

NASA Astrophysics Data System (ADS)

Ishikawa, Masashi; Tasaka, Yuko; Yoshimoto, Nobuko; Morita, Masayuki

Precycling of lithium (Li) metal on a nickel substrate at a low-temperature (-20°C) in propylene carbonate (PC) mixed with dimethyl carbonate (DMC) and Li hexafluorophosphate (LiPF 6) (LiPF 6-PC/DMC) enhanced Li cycleability in the subsequent cycles at a room temperature (25°C). In LiPF 6-PC/DMC, not only the low-temperature precycling in the initial 10 cycles was effective in the improvement of Li cycle life but also the first low-temperature Li deposition followed by room temperature cycling enhanced the Li cycle life. Such a precycling effect was observed with various current densities at the initial Li deposition and the subsequent cycling. When the current density of the cycling was high, improved cycling efficiency was observed and the efficiency of the Li electrode undergoing the precycling was close to that at a constant temperature of -20°C.

[Study on three kinds of gasoline oxygenates-induced DNA damage in mice fibroblasts].

PubMed

Song, Chonglin; Zhang, Zhifu; Chen, Xue; Zhang, Yanfeng; Wang, Chunhua; Liu, Keming

2002-10-01

To study DNA damage of three kinds of gasoline oxygenates. Single cell gel electrophoresis assay(Comet assay) was used to detect the damage effects of three gasoline oxygenates[methyl tertiary butyl ether(MTBE), ethanol anhydrous(EA) and dimethyl carbonate(DMC)] on DNA in L-929 mice fibroblasts. In certain concentation(37.500-150.000 mg/ml), MTBE could directly cause DNA damage of L-929 mice fibroblasts. There was obvious dose-effect relationship, i.e. when the concentration of MTBE was increased from 9.375 to 150.000 mg/ml, the comet rate also increased from 4% to 85%, and the length of comet tail changed correspondingly. The results of EA and DMC were negative. Under the condition of this experiment(150.000 mg/ml), MTBE could directly cause DNA damage while the effect of EA and DMC on DNA damage was not found.

Virtual Mission Operations of Remote Sensors With Rapid Access To and From Space

NASA Technical Reports Server (NTRS)

Ivancic, William D.; Stewart, Dave; Walke, Jon; Dikeman, Larry; Sage, Steven; Miller, Eric; Northam, James; Jackson, Chris; Taylor, John; Lynch, Scott;

Economy of Standards: European Association of Urology Guideline Changes Influence Treatment Costs in Stage I Testicular Cancer Patients.

PubMed

John, Axel; Baumgart, André; Worst, Thomas; Heinzelbecker, Julia

2018-01-01

The study aimed to calculate direct medical costs (DMC) during the first year of diagnosis and to evaluate the impact of guideline changes on treatment costs in clinical stage (CS) I testicular germ cell tumor (TGCT) patients in a German healthcare system. Healthcare expenditures as DMC during the first year of diagnosis for 307 TGCT patients in CS I treated at our institution from 1987 to 2013 were calculated from the statutory health insurance perspective using patient level data. Three periods were defined referring to the first European Association of Urology (EAU) guideline in 2001 as well as to subsequent major guideline changes in 2005 and 2010. Data source for cost calculations were the German Diagnosis Related Groups system for inpatient stays (version 2014) and the German system for reimbursement of outpatient care (EBM - Einheitlicher Bewertungsmaßstab, edition 2014). During our 25 years of study period, mean DMC in the first year after diagnosis for the entire cohort of TGCT patients in CS I almost halved from EUR 13.000 to EUR 6.900 (p < 0.001). From 1987 to 2001, DMC for CS I seminomatous germ cell tumor (SGCT) patients were EUR 13.790 ± 4.700. From 2002 to 2010, mean costs were EUR 10.900 ± 5.990, and from 2011 to 2013, mean costs were EUR 5.190 ± 3.700. For CS I non-seminomatous germ cell tumor (NSGCT) patients, from 1987 to 2001, mean DMC were EUR 11.650 ± 5.690. From 2002 to 2010, mean costs were EUR 11.230 ± 5.990, and from 2011 to 2013, mean costs were EUR 11.170 ± 7.390. Follow-up examinations became less frequent over time, which caused a significant cost reduction for NSGCT (p = 0.042) while costs remained stable for SGCT. When adding costs of relapse treatment, active surveillance (AS) was the most cost-effective adjuvant treatment option in CS I NSGCT whereas one course carboplatin or AS caused similar expenditures in SGCT patients. The introduction of the EAU guidelines in 2001 caused a decrease in DMC in CS I seminoma patients. This cost reduction mainly took place due to the declining importance of radiation therapy. No substantial changes were seen in patients with CS I NSGCT. Costs for follow-up care also diminished, but to a lesser degree. Even when considering expenditures for relapse treatment, AS remained cost-effective in CS I TCGT patients. Our data show that evidence-based medicine in TGCT can reduce DMC in the first year after diagnosis. © 2018 S. Karger AG, Basel.

Independent academic Data Monitoring Committees for clinical trials in cardiovascular and cardiometabolic diseases.

PubMed

Filippatos, Gerasimos S; de Graeff, Pieter; Bax, Jeroen J; Borg, John-Joseph; Cleland, John G F; Dargie, Henry J; Flather, Marcus; Ford, Ian; Friede, Tim; Greenberg, Barry; Henon-Goburdhun, Cécile; Holcomb, Richard; Horst, Bradley; Lekakis, John; Mueller-Velten, Guenther; Papavassiliou, Athanasios G; Prasad, Krishna; Rosano, Giuseppe M C; Severin, Thomas; Sherman, Warren; Stough, Wendy Gattis; Swedberg, Karl; Tavazzi, Luigi; Tousoulis, Dimitris; Vardas, Panagiotis; Ruschitzka, Frank; Anker, Stefan D

2017-04-01

Data Monitoring Committees (DMCs) play a crucial role in the conducting of clinical trials to ensure the safety of study participants and to maintain a trial's scientific integrity. Generally accepted standards exist for DMC composition and operational conduct. However, some relevant issues are not specifically addressed in current guidance documents, resulting in uncertainties regarding optimal approaches for communication between the DMC, steering committee, and sponsors, release of information, and liability protection for DMC members. The Heart Failure Association (HFA) of the European Society of Cardiology (ESC), in collaboration with the Clinical Trials Unit of the European Heart Agency (EHA) of the ESC convened a meeting of international experts in DMCs for cardiovascular and cardiometabolic clinical trials to identify specific issues and develop steps to resolve challenges faced by DMCs.The main recommendations from the meeting relate to methodological consistency, independence, managing conflicts of interest, liability protection, and training of future DMC members. This paper summarizes the key outcomes from this expert meeting, and describes the core set of activities that might be further developed and ultimately implemented by the ESC, HFA, and other interested ESC constituent bodies. The HFA will continue to work with stakeholders in cardiovascular and cardiometabolic clinical research to promote these goals. © 2017 The Authors. European Journal of Heart Failure © 2017 European Society of Cardiology.

Experience with Delay-Tolerant Networking from Orbit

NASA Technical Reports Server (NTRS)

Ivancic, W.; Eddy, W. M.; Stewart, D.; Wood, L.; Northam, J.; Jackson, C.

2010-01-01

We describe the first use from space of the Bundle Protocol for Delay-Tolerant Networking (DTN) and lessons learned from experiments made and experience gained with this protocol. The Disaster Monitoring Constellation (DMC), constructed by Surrey Satellite Technology Ltd (SSTL), is a multiple-satellite Earth-imaging low-Earth-orbit sensor network in which recorded image swaths are stored onboard each satellite and later downloaded from the satellite payloads to a ground station. Store-and-forward of images with capture and later download gives each satellite the characteristics of a node in a disruption-tolerant network. Originally developed for the Interplanetary Internet, DTNs are now under investigation in an Internet Research Task Force (IRTF) DTN research group (RG), which has developed a bundle architecture and protocol. The DMC is technically advanced in its adoption of the Internet Protocol (IP) for its imaging payloads and for satellite command and control, based around reuse of commercial networking and link protocols. These satellites use of IP has enabled earlier experiments with the Cisco router in Low Earth Orbit (CLEO) onboard the constellation s UK-DMC satellite. Earth images are downloaded from the satellites using a custom IP-based high-speed transfer protocol developed by SSTL, Saratoga, which tolerates unusual link environments. Saratoga has been documented in the Internet Engineering Task Force (IETF) for wider adoption. We experiment with the use of DTNRG bundle concepts onboard the UK-DMC satellite, by examining how Saratoga can be used as a DTN convergence layer to carry the DTNRG Bundle Protocol, so that sensor images can be delivered to ground stations and beyond as bundles. Our practical experience with the first successful use of the DTNRG Bundle Protocol in a space environment gives us insights into the design of the Bundle Protocol and enables us to identify issues that must be addressed before wider deployment of the Bundle Protocol. Published in 2010 by John Wiley & Sons, Ltd. KEY WORDS: Internet; UK-DMC; satellite; Delay-Tolerant Networking (DTN); Bundle Protocol

Advancements in Data Access at the IRIS Data Management Center to Broaden Data Use

NASA Astrophysics Data System (ADS)

Benson, R. B.; Trabant, C. M.; Ahern, T. K.

2013-12-01

The IRIS Data Management Center (DMC) has been serving digital seismic data for more than 20 years and has offered a variety of access mechanisms that have stood the test of time. However, beginning in 2010, and in response to multiple needs being requested from the IRIS DMC, we have developed web service interfaces to access our primary data repository. These new interfaces have rapidly grown in popularity. In 2013, the third full year of their operation, these services were responsible for half of all the data shipped from the DMC. In the same time period, the amount of data shipped from the other data access mechanisms has also increased. This non-linear growth of data shipments reflects the increased data usage by the research community. We believe that our new web service interfaces are well suited to fit future data access needs and signify a significant evolution in integrating different scientific data sets. Based on standardized web technologies, support for writing access software is ubiquitous. As fundamentally programmatic interfaces, the services are well suited for integration into data processing systems, in particular large-scale data processing systems. Their programmatic nature also makes then well suited for use with brokering systems where, for example, data from multiple disciplines can be integrated. In addition to providing access to raw data, the DMC created web services that apply simple, on-the-fly processing and format conversion. Processing the data (e.g. converting to Earth units) and formatting the result into something generally usable (e.g. ASCII) removes important barriers for users working in other disciplines. The end result is that we are shipping a much larger amount of data in a manner more directly usable by users. Many of these principles will be applied to the DMC's future work in the NSF's EarthCube Web Service Building Blocks project.

The local environment of Cu+ in Cu-Y zeolite and its relationship to the synthesis of dimethyl carbonate.

PubMed

Drake, Ian J; Zhang, Yihua; Briggs, Daniel; Lim, Bomyi; Chau, Tanguy; Bell, Alexis T

2006-06-22

Cu-exchanged Y zeolite was investigated in order to determine the location of the copper cations relative to the zeolite framework and to determine which Cu cations are active for the oxidative carbonylation of methanol to dimethyl carbonate (DMC). Cu-Y zeolite was prepared by vapor-phase exchange of H-Y with CuCl. The oxidation state, local coordination, and bond distances of Al and Cu were determined using Al K-edge and Cu K-edge X-ray absorption spectroscopy (XAS). Complimentary information was obtained by H2 temperature-programmed reduction and by in-situ infrared spectroscopy. Cu-Y has a Cu/Al ratio of unity and very little occluded CuCl. The average Al-O and Al-Cu bond distances are 1.67 angstroms and 2.79 angstroms, respectively, and the average Cu-O and Cu-Si(Al) bond distances are 1.99 angstroms and 3.13 angstroms, respectively. All of the Cu exchanged is present as Cu+ in sites I', II, and III'. Cu-Y is active for the oxidative carbonylation of methanol, and at low reactant contact time produces DMC as the primary product. With increasing reactant contact time, DMC formation decreases in preference to the formation of dimethoxy methane (DMM) and methylformate (MF). The formation of DMM and MF is attributed to the hydrogenation of DMC and the hydrogenolysis of DMM, respectively. Observation of the catalyst under reaction conditions reveals that most of the copper cations remain as Cu+, but some oxidation of Cu+ to Cu2+ does occur. It is also concluded that only those copper cations present in site II and III' positions are accessible to the reactants, and hence are catalytically active. The dominant adsorbed species on the surface are methoxy groups, and adsorbed CO is present as a minority species. The relationship of these observations to the kinetics of DMC synthesis is discussed.

Effects of Type 2 Diabetes Mellitus in Patients on Treatment With Glibenclamide and Metformin on Carvedilol Enantiomers Metabolism.

PubMed

Nardotto, Glauco H B; Coelho, Eduardo B; Paiva, Carlos E; Lanchote, Vera L

2017-06-01

Carvedilol is available in clinical practice as a racemate in which (S)-(-)-carvedilol is a β- and α 1 -adrenergic antagonist and (R)-(+)-carvedilol is only an α 1 -adrenergic antagonist. Carvedilol is mainly metabolized by glucuronidation, by CYP2D6 to hydroxyphenylcarvedilol (OHC), and by CYP2C9 to O-desmethylcarvedilol (DMC). This study evaluated the pharmacokinetics of carvedilol enantiomers and their metabolites OHC and DMC in healthy volunteers (n = 13) and in type 2 diabetes mellitus patients with good glycemic control (n = 13). The healthy subjects were enrolled to receive either a 25-mg oral single dose of carvedilol alone (no DDI) or carvedilol simultaneously with 5 mg glibenclamide and 500 mg metformin (DDI), whereas type 2 diabetes mellitus patients who were on long-term treatment with glibenclamide (5 mg/8 h) and metformin (500 mg/8 h) were enrolled to receive only a single oral dose of 25 mg carvedilol. The plasma concentrations of the (R)-(+)-carvedilol, (R)-(+)-DMC, and (R)-(+)-OHC were higher than those of (S)-(-)-carvedilol, (S)-(-)-DMC, and (S)-(-)-OHC in all investigated groups. The pharmacokinetics of the carvedilol enantiomers did not differ between the groups. However, the AUC values of the DMC enantiomers were lower in the type 2 diabetes mellitus patients than in the healthy volunteers (DDI and no DDI) [(R)-(+), 6.9, 10.4, 11.9 ng·h/mL; and (S)-(-), 2.4, 4.3, 4.0 ng·h/mL, respectively]. In contrast, the AUC values of the OHC enantiomers were higher in the type 2 diabetes mellitus patients [(R)-(+), 13.9, 6.6, 4.9 ng·h/mL; and (S)-(-), 7.2, 1.5, 1.5 ng·h/mL], which explains the fact that the carvedilol pharmacokinetics was unchanged. © 2017, The American College of Clinical Pharmacology.

Mapping DNA adducts of mitomycin C and decarbamoyl mitomycin C in cell lines using liquid chromatography/electrospray tandem mass spectrometry

PubMed Central

Paz, Manuel M.; Ladwa, Sweta; Champeil, Elise; Liu, Yanfeng; Rockwell, Sara; Boamah, Ernest K.; Bargonetti, Jill; Callahan, John; Roach, John; Tomasz, Maria

2009-01-01

The antitumor antibiotic and cancer chemotherapeutic agent mitomycin C (MC) alkylates and cross-links DNA, forming six major MC-deoxyguanosine adducts of known structures in vitro and in vivo. Two of these adducts are derived from 2,7-diaminomitosene (2,7-DAM), a non-toxic reductive metabolite of MC formed in cells in situ. Several methods have been used for analysis of MC-DNA adducts in the past; however, a need exists for a safer, more comprehensive and direct assay of the six-adduct complex. Development of an assay, based on mass spectrometry is described. DNA from EMT6 mouse mammary tumor cells, Fanconi Anemia –A fibroblasts, normal human fibroblasts, and MCF-7 human breast cancer cells was isolated after MC or DMC treatment of the cells, digested to nucleosides and submitted to liquid chromatography electrospray-tandem mass spectrometry. Two fragments of each parent ion were monitored (“multiple reaction monitoring”; MRM). Identification and quantitative analysis was based on a standard mixture of six adducts, the preparation of which is described here in detail. The lower limit of detection of adducts is estimated as 0.25 picomol. Three initial applications of this method are reported: (i) differential kinetics of adduct repair in EMT6 cells; (ii) analysis of adducts in MC- or DMC-treated Fanconi Anemia cells; and (iii) comparison of the adducts generated by treatment of MCF-7 breast cancer cells with MC and DMC. Notable results are the following: repair removal of the DNA interstrand cross-link and of the two adducts of 2,7-DAM is relatively slow; both MC and DMC generate DNA interstrand cross-links in human fibroblasts, Fanconi Anemia-A fibroblasts and MCF-7 cells as well as EMT6 cells; DMC shows a stereochemical preference of linkage to the guanine-2-amino group opposite from that of MC. PMID:19053323

Mapping DNA adducts of mitomycin C and decarbamoyl mitomycin C in cell lines using liquid chromatography/ electrospray tandem mass spectrometry.

PubMed

Paz, Manuel M; Ladwa, Sweta; Champeil, Elise; Liu, Yanfeng; Rockwell, Sara; Boamah, Ernest K; Bargonetti, Jill; Callahan, John; Roach, John; Tomasz, Maria

2008-12-01

The antitumor antibiotic and cancer chemotherapeutic agent mitomycin C (MC) alkylates and crosslinks DNA, forming six major MC-deoxyguanosine adducts of known structures in vitro and in vivo. Two of these adducts are derived from 2,7-diaminomitosene (2,7-DAM), a nontoxic reductive metabolite of MC formed in cells in situ. Several methods have been used for the analysis of MC-DNA adducts in the past; however, a need exists for a safer, more comprehensive and direct assay of the six-adduct complex. Development of an assay, based on mass spectrometry, is described. DNA from EMT6 mouse mammary tumor cells, Fanconi Anemia-A fibroblasts, normal human fibroblasts, and MCF-7 human breast cancer cells was isolated after MC or 10-decarbamoyl mitomycin C (DMC) treatment of the cells, digested to nucleosides, and submitted to liquid chromatography electrospray-tandem mass spectrometry. Two fragments of each parent ion were monitored ("multiple reaction monitoring"). Identification and quantitative analysis were based on a standard mixture of six adducts, the preparation of which is described here in detail. The lower limit of detection of adducts is estimated as 0.25 pmol. Three initial applications of this method are reported as follows: (i) differential kinetics of adduct repair in EMT6 cells, (ii) analysis of adducts in MC- or DMC-treated Fanconi Anemia cells, and (iii) comparison of the adducts generated by treatment of MCF-7 breast cancer cells with MC and DMC. Notable results are the following: Repair removal of the DNA interstrand cross-link and of the two adducts of 2,7-DAM is relatively slow; both MC and DMC generate DNA interstrand cross-links in human fibroblasts, Fanconi Anemia-A fibroblasts, and MCF-7 cells as well as EMT6 cells; and DMC shows a stereochemical preference of linkage to the guanine-2-amino group opposite from that of MC.

Effects of ammonia load on glucose metabolism by isolated ovine duodenal mucosa.

PubMed

Regmi, P R; Dixon, W T; Oba, M

2008-09-01

To determine the effects of ammonia load on glucose metabolism in ruminant small intestinal tissues, duodenal mucosal cells (DMC) were isolated from growing female sheep (n = 10; 46. 0 +/- 0. 8 kg of BW) fed diets differing in CP content: high (19. 4%) vs. low (13. 1%). Ammonia concentration in the duodenal digesta fluid was greater for sheep fed a high CP diet compared with those fed a low CP diet (16. 4 +/- 1. 0 vs. 9. 1 +/- 1. 8 mM). The isolated primary mucosal cells were incubated for 90 min with [2-(13)C] glucose (3 mM) and ammonium chloride (0, 0. 1, 1, 5, 10, 20, or 50 mM) in Krebs-Ringer HEPES buffer. It was hypothesized that DMC would increase glucose carbon utilization for the synthesis of nonessential AA when the ammonia concentration in the incubation media increased. However, utilization of glucose carbon for alanine synthesis decreased linearly (P = 0. 03) as the ammonia concentration in the incubation media increased. Furthermore, glucose disappearance and utilization of glucose carbon for aspartate synthesis were not affected (P > 0. 47) by the ammonia concentration. Contrarily, in vitro glucose disappearance was greater (P = 0. 03) for DMC isolated from sheep fed a low CP diet vs. a high CP diet [14. 6 +/- 1. 6 vs. 8. 6 +/- 1. 3 nmol.(10(6) cells)(-1).(90 min) (-1)], and hexokinase activity was greater (P = 0. 01) in the mucosa of sheep fed a low CP diet compared with a high CP diet (1. 22 +/- 0. 05 vs. 1. 04 +/- 0. 02 mUnit/mg of protein). These observations indicate that ammonia load does not affect the extent of glucose utilization by DMC, and that glucose carbon may not play a significant role for the synthesis of alanine, aspartate, or glutamate when DMC are exposed to increased concentrations of ammonia.

Results from Preliminary Checks on AmBe Neutron Source Number 71

DTIC Science & Technology

2011-02-01

radiation and additional lead shielding was used to shield against gamma radiation emissions. Electronic dosimeters , the MGP DMC2000GN and Thermo EPD...DMC2000GN (S/N: 007395) and EPD-N2 (S/N: 07106323) electronic dosimeters were employed as these both are able to measure and record gamma and neutron...the AN/VDR-2 gamma radiation meter and Meridian Model 5085 neutron meter to confirm this and electronic dosimeters would be worn by personnel to

ASC Addresses Unit Commanders’ Concerns through LBE and Reset Programs

DTIC Science & Technology

2008-09-01

Distribution Management Center (DMC). The DMC, based at ASC Headquarters on Rock Island Arsenal, Ilinois, has become the single ASC integrator for LBE and field-level reset in support of ARFORGEN. The reset of units returning from OEF/OIF consists of a series of actions to restore the units to a desired level of combat capability commensurate with future mission requirements. These actions include the repair of equipment, replacement of equipment lost during operations, and recapitalization of equipment where feasible and

Relocation of the Deep Space Network Maintenance Center

NASA Technical Reports Server (NTRS)

Beutler, K. F.

1981-01-01

The Jet Propulsion Laboratory maintains a Deep Space Network (DSN) maintenance center (DMC), whose task is to engineer and manage the repair and calibration program for the electronic and mechanical equipment used in the tracking stations located at Madrid, Spain, and Canberra, Australia. The DMC also manages the Goldstone complex maintenance facility (GCMF), whose task is to repair and calibrate the Goldstone electronic and mechanical equipment. The rationale for moving the facility to Barstow, California, and the benefits derived from the move are discussed.

WE-G-213CD-06: Implementation of Real-Time Tumor Tracking Using Robotic Couch.

PubMed

Buzurovic, I; Yu, Y; Podder, T

2012-06-01

The purpose of this study was to present a novel method for real- time tumor tracking using a commercially available robotic treatment couch, and to evaluate tumor tracking accuracy. Commercially available robotic couches are capable of positioning patients with high level of accuracy; however, currently there is no provision for compensating tumor motion using these systems. Elekta's existing commercial couch (PreciseTM Table) was used without changing its design. To establish the real-time couch motion for tracking, a novel control system was developed and implemented. The tabletop could be moved in horizontal plane (laterally and longitudinally) using two Maxon-24V motors with gearbox combination. Vertical motion was obtained using robust 70V-Rockwell Automation motor. For vertical motor position sensing, we used Model 755A-Accu- Coder encoder. Two Baumer-ITD_01_4mm shaft encoders were used for the lateral and longitudinal motions of the couch. Motors were connected to the Advance Motion Controls (AMC) amplifiers: for the vertical motion, motor AMC-20A20-INV amplifier was used, and two AMC-Z6A8 amplifiers were applied for the lateral and longitudinal couch motions. The Galil DMC-4133 controller was connected to standard PC computer using USB port. The system had two independent power supplies: Galil PSR-12- 24-12A, 24vdc power supply with diodes for controller and 24vdc motors and amplifiers, and Galil-PS300W72 72vdc power supply for vertical motion. Control algorithms were developed for position and velocity adjustment. The system was tested for real-time tracking in the range of 50mm in all 3 directions (superior-inferior, lateral, anterior- posterior). Accuracies were 0.15, 0.20, and 0.18mm, respectively. Repeatability of the desired motion was within ± 0.2mm. Experimental results of couch tracking show feasibility of real-time tumor tracking with high level of accuracy (within sub-millimeter range). This tracking technique potentially offers a simple and effective method to minimize healthy tissues irradiation.Acknowledgement: Study supported by Elekta,Ltd. Study supported by Elekta, Ltd. © 2012 American Association of Physicists in Medicine.

Orbital Architectures of Dynamically Complex Exoplanet Systems

NASA Astrophysics Data System (ADS)

Nelson, Benjamin E.

2015-01-01

The most powerful constraints on planet formation will come from characterizing the dynamical state of complex multi-planet systems. Unfortunately, with that complexity comes a number of factors that make analyzing these systems a computationally challenging endeavor: the sheer number of model parameters, a wonky shaped posterior distribution, and hundreds to thousands of time series measurements. We develop a differential evolution Markov chain Monte Carlo (RUN DMC) to tackle these difficult aspects of data analysis. We apply RUN DMC to two classic multi-planet systems from radial velocity surveys, 55 Cancri and GJ 876. For 55 Cancri, we find the inner-most planet "e" must be coplanar to within 40 degrees of the outer planets, otherwise Kozai-like perturbations will cause the planet's orbit to cross the stellar surface. We find the orbits of planets "b" and "c" are apsidally aligned and librating with low to median amplitude (50±610 degrees), but they are not orbiting in a mean-motion resonance. For GJ 876, we can meaningfully constrain the three-dimensional orbital architecture of all the planets based on the radial velocity data alone. By demanding orbital stability, we find the resonant planets have low mutual inclinations (Φ) so they must be roughly coplanar (Φcb = 1.41±0.620.57 degrees and Φbe = 3.87±1.991.86 degrees). The three-dimensional Laplace argument librates with an amplitude of 50.5±7.910.0 degrees, indicating significant past disk migration and ensuring long-term stability. These empirically derived models will provide new challenges for planet formation models and motivate the need for more sophisticated algorithms to analyze exoplanet data.

Reactivity of Heteropolytungstate and Heteropolymolybdate Metal Transition Salts in the Synthesis of Dimethyl Carbonate from Methanol and CO2

PubMed Central

Aouissi, Ahmed; Al-Deyab, Salem S.; Al-Owais, Ahmad; Al-Amro, Amro

2010-01-01

A series of Keggin-type heteropoly compounds (HPC) having different countercations (Co, Fe) and different addenda atoms (W, Mo) were synthesized and characterized by means of Fourier-Transform Infrared Spectrometer (FT-IR) and X-ray powder diffraction (XRD). The catalytic properties of the prepared catalysts for the dimethyl carbonate (DMC) synthesis from CO2 and CH3OH were investigated. The experimental results showed that the catalytic activity is significantly influenced by the type of the countercation and addenda atoms transition metal. Among the catalysts examined, Co1.5PW12O40 is the most active for the DMC synthesis, owing to the synergetic effect between Co and W. Investigating the effect of the support showed that the least acidic one (Al2O3) enhanced the conversion but decreased the DMC selectivity in favor of that of methyl formate (MF), while that of dimethoxy methane remained stable. PMID:20717536

Lipase-catalyzed in-situ biosynthesis of glycerol-free biodiesel from heterotrophic microalgae, Aurantiochytrium sp. KRS101 biomass.

PubMed

Kim, Keon Hee; Lee, Ok Kyung; Kim, Chul Ho; Seo, Jeong-Woo; Oh, Baek-Rock; Lee, Eun Yeol

2016-07-01

Heterotrophic microalgae, Aurantiochytrium sp. KRS101 had a large amount of lipid (56.8% total lipids). The cells in the culture medium were easily ruptured due to thin cell wall of Aurantiochytrium sp., which facilitated in-situ fatty acid methyl esters (FAMEs) production directly from biomass. The harvested biomass had a high content of free fatty acids (FFAs), which was advantageous for glycerol-free FAMEs production. FAMEs were directly produced from Aurantiochytrium sp. KRS101 biomass (48.4% saponifiable lipids) using Novozyme 435-catalyzed in-situ esterification in dimethyl carbonate (DMC). DMC was used as a lipid extraction reagent, acyl acceptor and reaction medium. A 433.09mg FAMEs/g biomass was obtained with 89.5% conversion under the optimal condition: DMC to biomass ratio of 5:1 (v/w) and enzyme to biomass ratio of 30% (w/w) at 50°C for 12h. Glycerol could not be detected in the produced FAMEs. Copyright © 2016 Elsevier Ltd. All rights reserved.

Equivalence of Brownian dynamics and dynamic Monte Carlo simulations in multicomponent colloidal suspensions.

PubMed

Cuetos, Alejandro; Patti, Alessandro

2015-08-01

We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.

In-situ pyrogenic production of biodiesel from swine fat.

PubMed

Lee, Jechan; Tsang, Yiu Fai; Jung, Jong-Min; Oh, Jeong-Ik; Kim, Hyung-Wook; Kwon, Eilhann E

2016-11-01

In-situ production of fatty acid methyl esters from swine fat via thermally induced pseudo-catalytic transesterification on silica was investigated in this study. Instead of methanol, dimethyl carbonate (DMC) was used as acyl acceptor to achieve environmental benefits and economic viability. Thermo-gravimetric analysis of swine fat reveals that swine fat contains 19.57wt.% of water and impurities. Moreover, the fatty acid profiles obtained under various conditions (extracted swine oil+methanol+NaOH, extracted swine oil+DMC+pseudo-catalytic, and swine fat+DMC+pseudo-catalytic) were compared. These profiles were identical, showing that the introduced in-situ transesterification is technically feasible. This also suggests that in-situ pseudo-catalytic transesterification has a high tolerance against impurities. This study also shows that FAME yield via in-situ pseudo-catalytic transesterification of swine fat reached up to 97.2% at 380°C. Therefore, in-situ pseudo-catalytic transesterification can be applicable to biodiesel production of other oil-bearing biomass feedstocks. Copyright © 2016 Elsevier Ltd. All rights reserved.

Computing by robust transience: How the fronto-parietal network performs sequential category-based decisions

PubMed Central

Chaisangmongkon, Warasinee; Swaminathan, Sruthi K.; Freedman, David J.; Wang, Xiao-Jing

2017-01-01

Summary Decision making involves dynamic interplay between internal judgements and external perception, which has been investigated in delayed match-to-category (DMC) experiments. Our analysis of neural recordings shows that, during DMC tasks, LIP and PFC neurons demonstrate mixed, time-varying, and heterogeneous selectivity, but previous theoretical work has not established the link between these neural characteristics and population-level computations. We trained a recurrent network model to perform DMC tasks and found that the model can remarkably reproduce key features of neuronal selectivity at the single-neuron and population levels. Analysis of the trained networks elucidates that robust transient trajectories of the neural population are the key driver of sequential categorical decisions. The directions of trajectories are governed by network self-organized connectivity, defining a ‘neural landscape’, consisting of a task-tailored arrangement of slow states and dynamical tunnels. With this model, we can identify functionally-relevant circuit motifs and generalize the framework to solve other categorization tasks. PMID:28334612

Human Decidua-Derived Mesenchymal Cells Are a Promising Source for the Generation and Cell Banking of Human Induced Pluripotent Stem Cells

PubMed Central

Shofuda, Tomoko; Kanematsu, Daisuke; Fukusumi, Hayato; Yamamoto, Atsuyo; Bamba, Yohei; Yoshitatsu, Sumiko; Suemizu, Hiroshi; Nakamura, Masato; Sugimoto, Yoshikazu; Furue, Miho Kusuda; Kohara, Arihiro; Akamatsu, Wado; Okada, Yohei; Okano, Hideyuki; Yamasaki, Mami; Kanemura, Yonehiro

2013-01-01

Placental tissue is a biomaterial with remarkable potential for use in regenerative medicine. It has a three-layer structure derived from the fetus (amnion and chorion) and the mother (decidua), and it contains huge numbers of cells. Moreover, placental tissue can be collected without any physical danger to the donor and can be matched with a variety of HLA types. The decidua-derived mesenchymal cells (DMCs) are highly proliferative fibroblast-like cells that express a similar pattern of CD antigens as bone marrow-derived mesenchymal cells (BM-MSCs). Here we demonstrated that induced pluripotent stem (iPS) cells could be efficiently generated from DMCs by retroviral transfer of reprogramming factor genes. DMC-hiPS cells showed equivalent characteristics to human embryonic stem cells (hESCs) in colony morphology, global gene expression profile (including human pluripotent stem cell markers), DNA methylation status of the OCT3/4 and NANOG promoters, and ability to differentiate into components of the three germ layers in vitro and in vivo. The RNA expression of XIST and the methylation status of its promoter region suggested that DMC-iPSCs, when maintained undifferentiated and pluripotent, had three distinct states: (1) complete X-chromosome reactivation, (2) one inactive X-chromosome, or (3) an epigenetic aberration. Because DMCs are derived from the maternal portion of the placenta, they can be collected with the full consent of the adult donor and have considerable ethical advantages for cell banking and the subsequent generation of human iPS cells for regenerative applications. PMID:26858858

Highly crosslinked polyethylene: a safe alternative to conventional polyethylene for dual mobility cup mobile component. A biomechanical validation.

PubMed

Malatray, Matthieu; Roux, Jean-Paul; Gunst, Stanislas; Pibarot, Vincent; Wegrzyn, Julien

2017-03-01

Dual mobility cup (DMC) consists of a cobalt-chromium (CoCr) alloy cup articulated with a polyethylene (PE) mobile component capturing the femoral head in force using a snap-fit technique. This biomechanical study was the first to evaluate and compare the generation of cracks in the retentive area of DMC mobile components made of highly crosslinked PE (XLPE) or conventional ultra-high molecular weight PE (UHMWPE). Eighty mobile components designed for a 52-mm diameter Symbol® DMC (Dedienne Santé, Mauguio, France) and a 28-mm diameter femoral head were analyzed. Four groups of 20 mobile components were constituted according to the PE material: raw UHMWPE, sterilized UHMWPE, annealed XLPE and remelted XLPE. Ten mobile components in each group were impacted with a 28-mm diameter CoCr femoral head using a snap-fit technique. The occurrence, location and area of the cracks in the retentive area were investigated using micro-CT (Skyscan 1176®, Bruker, Aarsellar, Belgium) with a 35 μm nominal isotropic voxel size by two observers blinded to the PE material and impaction or not of the mobile components. Compared to conventional UHMWPE, the femoral head snap-fit did not generate more or wider cracks in the retentive area of annealed or remelted XLPE mobile components. This biomechanical study suggests that XLPE in DMC could be a safe alternative to conventional UHMWPE regarding the generation of cracks in the retentive area related to the femoral head snap-fit.

Differing Requirements for RAD51 and DMC1 in Meiotic Pairing of Centromeres and Chromosome Arms in Arabidopsis thaliana

PubMed Central

Da Ines, Olivier; Abe, Kiyomi; Goubely, Chantal; Gallego, Maria Eugenia; White, Charles I.

2012-01-01

During meiosis homologous chromosomes pair, recombine, and synapse, thus ensuring accurate chromosome segregation and the halving of ploidy necessary for gametogenesis. The processes permitting a chromosome to pair only with its homologue are not fully understood, but successful pairing of homologous chromosomes is tightly linked to recombination. In Arabidopsis thaliana, meiotic prophase of rad51, xrcc3, and rad51C mutants appears normal up to the zygotene/pachytene stage, after which the genome fragments, leading to sterility. To better understand the relationship between recombination and chromosome pairing, we have analysed meiotic chromosome pairing in these and in dmc1 mutant lines. Our data show a differing requirement for these proteins in pairing of centromeric regions and chromosome arms. No homologous pairing of mid-arm or distal regions was observed in rad51, xrcc3, and rad51C mutants. However, homologous centromeres do pair in these mutants and we show that this does depend upon recombination, principally on DMC1. This centromere pairing extends well beyond the heterochromatic centromere region and, surprisingly, does not require XRCC3 and RAD51C. In addition to clarifying and bringing the roles of centromeres in meiotic synapsis to the fore, this analysis thus separates the roles in meiotic synapsis of DMC1 and RAD51 and the meiotic RAD51 paralogs, XRCC3 and RAD51C, with respect to different chromosome domains. PMID:22532804

Ar(n)HF van der Waals clusters revisited: II. Energetics and HF vibrational frequency shifts from diffusion Monte Carlo calculations on additive and nonadditive potential-energy surfaces for n=1-12.

PubMed

Jiang, Hao; Xu, Minzhong; Hutson, Jeremy M; Bacić, Zlatko

2005-08-01

The ground-state energies and HF vibrational frequency shifts of Ar(n)HF clusters have been calculated on the nonadditive potential-energy surfaces (PESs) for n=2-7 and on the pairwise-additive PESs for the clusters with n=1-12, using the diffusion Monte Carlo (DMC) method. For n>3, the calculations have been performed for the lowest-energy isomer and several higher-lying isomers which are the closest in energy. They provide information about the isomer dependence of the HF redshift, and enable direct comparison with the experimental data recently obtained in helium nanodroplets. The agreement between theory and experiment is excellent, in particular, for the nonadditive DMC redshifts. The relative, incremental redshifts are reproduced accurately even at the lower level of theory, i.e., the DMC and quantum five-dimensional (rigid Ar(n)) calculations on the pairwise-additive PESs. The nonadditive interactions make a significant contribution to the frequency shift, on the order of 10%-12%, and have to be included in the PESs in order for the theory to yield accurate magnitude of the HF redshift. The energy gaps between the DMC ground states of the cluster isomers are very different from the energy separation of their respective minima on the PES, due to the considerable variations in the intermolecular zero-point energy of different Ar(n)HF isomers.

Rapid determination of global moment-tensor solutions

USGS Publications Warehouse

Sipkin, S.A.

1994-01-01

In an effort to improve data services, the National Earthquake Information Center has begun a program, in cooperation with the Incorporated Research Institutions for Seismology Data Management Center (IRIS DMC), to produce rapid estimates of the seismic moment tensor for most earthquakes with a bodywave magnitude of 5.8 or greater. An estimate of the moment tensor can usually be produced within 20 minutes of the arrival of the broadband P-waveform data from the IRIS DMC. The solutions do not vary significantly from the final solutions determined using the entire network. -from Author

Contrasting Specializations for Facial Motion Within the Macaque Face-Processing System

PubMed Central

Fisher, Clark; Freiwald, Winrich A.

2014-01-01

SUMMARY Facial motion transmits rich and ethologically vital information [1, 2], but how the brain interprets this complex signal is poorly understood. Facial form is analyzed by anatomically distinct face patches in the macaque brain [3, 4], and facial motion activates these patches and surrounding areas [5, 6]. Yet it is not known whether facial motion is processed by its own distinct and specialized neural machinery, and if so, what that machinery’s organization might be. To address these questions, we used functional magnetic resonance imaging (fMRI) to monitor the brain activity of macaque monkeys while they viewed low- and high-level motion and form stimuli. We found that, beyond classical motion areas and the known face patch system, moving faces recruited a heretofore-unrecognized face patch. Although all face patches displayed distinctive selectivity for face motion over object motion, only two face patches preferred naturally moving faces, while three others preferred randomized, rapidly varying sequences of facial form. This functional divide was anatomically specific, segregating dorsal from ventral face patches, thereby revealing a new organizational principle of the macaque face-processing system. PMID:25578903

Web service activities at the IRIS DMC to support federated and multidisciplinary access

NASA Astrophysics Data System (ADS)

Trabant, Chad; Ahern, Timothy K.

2013-04-01

At the IRIS Data Management Center (DMC) we have developed a suite of web service interfaces to access our large archive of, primarily seismological, time series data and related metadata. The goals of these web services include providing: a) next-generation and easily used access interfaces for our current users, b) access to data holdings in a form usable for non-seismologists, c) programmatic access to facilitate integration into data processing workflows and d) a foundation for participation in federated data discovery and access systems. To support our current users, our services provide access to the raw time series data and metadata or conversions of the raw data to commonly used formats. Our services also support simple, on-the-fly signal processing options that are common first steps in many workflows. Additionally, high-level data products derived from raw data are available via service interfaces. To support data access by researchers unfamiliar with seismic data we offer conversion of the data to broadly usable formats (e.g. ASCII text) and data processing to convert the data to Earth units. By their very nature, web services are programmatic interfaces. Combined with ubiquitous support for web technologies in programming & scripting languages and support in many computing environments, web services are very well suited for integrating data access into data processing workflows. As programmatic interfaces that can return data in both discipline-specific and broadly usable formats, our services are also well suited for participation in federated and brokered systems either specific to seismology or multidisciplinary. Working within the International Federation of Digital Seismograph Networks, the DMC collaborated on the specification of standardized web service interfaces for use at any seismological data center. These data access interfaces, when supported by multiple data centers, will form a foundation on which to build discovery and access mechanisms for data sets spanning multiple centers. To promote the adoption of these standardized services the DMC has developed portable implementations of the software needed to host these interfaces, minimizing the work required at each data center. Within the COOPEUS project framework, the DMC is working with EU partners to install web services implementations at multiple data centers in Europe.

Real-time, autonomous precise satellite orbit determination using the global positioning system

NASA Astrophysics Data System (ADS)

Goldstein, David Ben

2000-10-01

The desire for autonomously generated, rapidly available, and highly accurate satellite ephemeris is growing with the proliferation of constellations of satellites and the cost and overhead of ground tracking resources. Autonomous Orbit Determination (OD) may be done on the ground in a post-processing mode or in real-time on board a satellite and may be accomplished days, hours or immediately after observations are processed. The Global Positioning System (GPS) is now widely used as an alternative to ground tracking resources to supply observation data for satellite positioning and navigation. GPS is accurate, inexpensive, provides continuous coverage, and is an excellent choice for autonomous systems. In an effort to estimate precise satellite ephemeris in real-time on board a satellite, the Goddard Space Flight Center (GSFC) created the GPS Enhanced OD Experiment (GEODE) flight navigation software. This dissertation offers alternative methods and improvements to GEODE to increase on board autonomy and real-time total position accuracy and precision without increasing computational burden. First, GEODE is modified to include a Gravity Acceleration Approximation Function (GAAF) to replace the traditional spherical harmonic representation of the gravity field. Next, an ionospheric correction method called Differenced Range Versus Integrated Doppler (DRVID) is applied to correct for ionospheric errors in the GPS measurements used in GEODE. Then, Dynamic Model Compensation (DMC) is added to estimate unmodeled and/or mismodeled forces in the dynamic model and to provide an alternative process noise variance-covariance formulation. Finally, a Genetic Algorithm (GA) is implemented in the form of Genetic Model Compensation (GMC) to optimize DMC forcing noise parameters. Application of GAAF, DRVID and DMC improved GEODE's position estimates by 28.3% when applied to GPS/MET data collected in the presence of Selective Availability (SA), 17.5% when SA is removed from the GPS/MET data and 10.8% on SA free TOPEX data. Position estimates with RSS errors below I meter are now achieved using SA free TOPEX data. DRVID causes an increase in computational burden while GAAF and DMC reduce computational burden. The net effect of applying GAAF, DRVID and DMC is an improvement in GEODE's accuracy/precision without an increase in computational burden.

Cyberinfrastructure at IRIS: Challenges and Solutions Providing Integrated Data Access to EarthScope and Other Earth Science Data

NASA Astrophysics Data System (ADS)

Ahern, T. K.; Barga, R.; Casey, R.; Kamb, L.; Parastatidis, S.; Stromme, S.; Weertman, B. T.

2008-12-01

While mature methods of accessing seismic data from the IRIS DMC have existed for decades, the demands for improved interdisciplinary data integration call for new approaches. Talented software teams at the IRIS DMC, UNAVCO and the ICDP in Germany, have been developing web services for all EarthScope data including data from USArray, PBO and SAFOD. These web services are based upon SOAP and WSDL. The EarthScope Data Portal was the first external system to access data holdings from the IRIS DMC using Web Services. EarthScope will also draw more heavily upon products to aid in cross-disciplinary data reuse. A Product Management System called SPADE allows archive of and access to heterogeneous data products, presented as XML documents, at the IRIS DMC. Searchable metadata are extracted from the XML and enable powerful searches for products from EarthScope and other data sources. IRIS is teaming with the External Research Group at Microsoft Research to leverage a powerful Scientific Workflow Engine (Trident) and interact with the web services developed at centers such as IRIS to enable access to data services as well as computational services. We believe that this approach will allow web- based control of workflows and the invocation of computational services that transform data. This capability will greatly improve access to data across scientific disciplines. This presentation will review some of the traditional access tools as well as many of the newer approaches that use web services, scientific workflow to improve interdisciplinary data access.

Fixed-Node Diffusion Quantum Monte Carlo Method on Dissociation Energies and Their Trends for R-X Bonds (R = Me, Et, i-Pr, t-Bu).

PubMed

Hou, Aiqiang; Zhou, Xiaojun; Wang, Ting; Wang, Fan

2018-05-15

Achieving both bond dissociation energies (BDEs) and their trends for the R-X bonds with R = Me, Et, i-Pr, and t-Bu reliably is nontrivial. Density functional theory (DFT) methods with traditional exchange-correlation functionals usually have large error on both the BDEs and their trends. The M06-2X functional gives rise to reliable BDEs, but the relative BDEs are determined not as accurately. More demanding approaches such as some double-hybrid functionals, for example, G4 and CCSD(T), are generally required to achieve the BDEs and their trends reliably. The fixed-node diffusion quantum Monte Carlo method (FN-DMC) is employed to calculated BDEs of these R-X bonds with X = H, CH 3 , OCH 3 , OH, and F in this work. The single Slater-Jastrow wave function is adopted as trial wave function, and pseudopotentials (PPs) developed for quantum Monte Carlo calculations are chosen. Error of these PPs is modest in wave function methods, while it is more pronounced in DFT calculations. Our results show that accuracy of BDEs with FN-DMC is similar to that of M06-2X and G4, and trends in BDEs are calculated more reliably than M06-2X. Both BDEs and trends in BDEs of these bonds are reproduced reasonably with FN-DMC. FN-DMC using PPs can thus be applied to BDEs and their trends of similar chemical bonds in larger molecules reliably and provide valuable information on properties of these molecules.

Remarkable activity of nitrogen-doped hollow carbon spheres encapsulated Cu on synthesis of dimethyl carbonate: Role of effective nitrogen

NASA Astrophysics Data System (ADS)

Li, Haixia; Zhao, Jinxian; Shi, Ruina; Hao, Panpan; Liu, Shusen; Li, Zhong; Ren, Jun

2018-04-01

A critical aspect in the improvement of the catalytic performance of Cu-based catalysts for the synthesis of dimethyl carbonate (DMC) is the development of an appropriate support. In this work, nitrogen-doped hollow carbon spheres (NHCSs), with 240 nm average diameter, 17 nm shell thickness, uniform mesoporous structure and a specific surface area of 611 m2 g-1, were prepared via a two-step Stӧber method. By varying the quantity of nitrogen-containing phenols used in the preparation it has been possible to control the nitrogen content and, consequently, the sphericity of the NHCSs. It was found that perfect spheres were obtained for nitrogen contents below 5.4 wt.%. The catalysts (Cu@NHCSs) were prepared by the hydrothermal impregnation method. The catalytic activity towards DMC synthesis was notably enhanced due to the immobilization effect on Cu particles and the enhanced electron transfer effect exercised by the effective nitrogen species, including pyridinic-N and graphitic-N. When the average size of the copper nanoparticles was 7.4 nm and the nitrogen content was 4.0 wt.%, the values of space-time yield of DMC and of turnover frequency (TOF) reached 1528 mg/(g h) and 11.0 h-1, respectively. The TOF value of Cu@NHCSs was 6 times higher than non-doped Cu@Carbon (2.1 h-1). The present work introduces the potential application of nitrogen-doped carbon materials and presents a novel procedure for the preparation of catalysts for DMC synthesis.

Moving Toward Real Time Data Handling: Data Management at the IRIS DMC

NASA Astrophysics Data System (ADS)

Ahern, T. K.; Benson, R. B.

2001-12-01

The IRIS Data Management Center at the University of Washington has become a major archive and distribution center for a wide variety of seismological data. With a mass storage system with a 360-terabyte capacity, the center is well positioned to manage the data flow, both inbound and outbound, from all anticipated seismic sources for the foreseeable future. As data flow in and out of the IRIS DMC at an increasing rate, new methods to deal with data using purely automated techniques are being developed. The on-line and self-service data repositories of SPYDERr and FARM are collections of seismograms for all larger events. The WWW tool WILBER and the client application WEED are examples of tools that provide convenient access to the 1/2 terabyte of SPYDERr and FARM data. The Buffer of Uniform Data (BUD) system provides access to continuous data available in real time from GSN, FDSN, US regional networks, and other globally distributed stations. Continuous data that have received quality control are always available from the archive of continuous data. This presentation will review current and future data access techniques supported at IRIS. One of the most difficult tasks at the DMC is the management of the metadata that describes all the stations, sensors, and data holdings. Demonstrations of tools that provide access to the metadata will be presented. This presentation will focus on the new techniques of data management now being developed at the IRIS DMC. We believe that these techniques are generally applicable to other types of geophysical data management as well.

Integrated health management and control of complex dynamical systems

NASA Astrophysics Data System (ADS)

Tolani, Devendra K.

2005-11-01

A comprehensive control and health management strategy for human-engineered complex dynamical systems is formulated for achieving high performance and reliability over a wide range of operation. Results from diverse research areas such as Probabilistic Robust Control (PRC), Damage Mitigating/Life Extending Control (DMC), Discrete Event Supervisory (DES) Control, Symbolic Time Series Analysis (STSA) and Health and Usage Monitoring System (HUMS) have been employed to achieve this goal. Continuous-domain control modules at the lower level are synthesized by PRC and DMC theories, whereas the upper-level supervision is based on DES control theory. In the PRC approach, by allowing different levels of risk under different flight conditions, the control system can achieve the desired trade off between stability robustness and nominal performance. In the DMC approach, component damage is incorporated in the control law to reduce the damage rate for enhanced structural durability. The DES controller monitors the system performance and, based on the mission requirements (e.g., performance metrics and level of damage mitigation), switches among various lower-level controllers. The core idea is to design a framework where the DES controller at the upper-level, mimics human intelligence and makes appropriate decisions to satisfy mission requirements, enhance system performance and structural durability. Recently developed tools in STSA have been used for anomaly detection and failure prognosis. The DMC deals with the usage monitoring or operational control part of health management, where as the issue of health monitoring is addressed by the anomaly detection tools. The proposed decision and control architecture has been validated on two test-beds, simulating the operations of rotorcraft dynamics and aircraft propulsion.

Thiol-ene chemistry guided preparation of thiolated polymeric nanocomposite for anodic stripping voltammetric analysis of Cd2+ and Pb2+.

PubMed

Su, Zhaohong; Liu, Ying; Zhang, Yi; Xie, Qingji; Chen, Li; Huang, Yi; Fu, Yingchun; Meng, Yue; Li, Xuejiao; Ma, Ming; Yao, Shouzhuo

2013-02-21

We report on the thiol-ene chemistry guided preparation of a novel thiolated polymeric nanocomposite involving polyaniline (PANI), a functionalized thiol, e.g., sulfur-rich 2,5-dimercapto-1,3,4-thiadiazole (DMcT), and multiwalled carbon nanotubes (MWCNTs) for the sensitive differential pulse anodic stripping voltammetric determination of Cd(2+) and Pb(2+) on a glassy carbon electrode (GCE). Briefly, the thiol-ene reaction of a thiol with oxidized PANI that was chemically synthesized in the presence of solution-dispersed acidified MWCNTs yielded a thiolated polymeric nanocomposite of thiol-PANI/MWCNTs. The thiols examined include DMcT, 1,6-hexanedithiol and β-mercaptoethanol. Quartz crystal microbalance, cyclic voltammetry, scanning electron microscopy, Fourier transform infrared spectroscopy and ultraviolet-visible spectroscopy were used for film characterization and process monitoring. Under the optimized conditions, the obtained Bi/Nafion/DMcT-PANI/MWCNTs/GCE can sensitively sense Cd(2+) and Pb(2+) with limits of detection of 0.01 and 0.04 μg L(-1), respectively.

An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion

DOE PAGES

Sun, Wenyu; Yang, Bin; Hansen, Nils; ...

2015-12-08

Because of the absence of C–C bonds and the large oxygen content in its molecular structure, dimethyl carbonate (DMC) is a promising oxygenated additive or substitute for hydrocarbon fuels. In order to understand its chemical oxidation and combustion kinetics, flow reactor pyrolysis at different pressures (40, 200 and 1040 mbar) and low-pressure laminar premixed flames with different equivalence ratios (1.0 and 1.5) were investigated. Mole fraction profiles of many reaction intermediates and products were obtained within estimated experimental uncertainties. From theoretical calculations and estimations, a detailed kinetic model for DMC pyrolysis and high-temperature combustion consisting of 257 species and 1563more » reactions was developed. The performance of the kinetic model was then analyzed using detailed chemical composition information, primarily from the present measurements. In addition, it was examined against the chemical structure of an opposed-flow diffusion flame, relying on global combustion properties such as the ignition delay times and laminar burning velocities. Furthermore, these extended comparisons yielded overall satisfactory agreement, demonstrating the applicability of the present model over a wide range of high-temperature conditions.« less

Dimethyl carbonate-mediated lipid extraction and lipase-catalyzed in situ transesterification for simultaneous preparation of fatty acid methyl esters and glycerol carbonate from Chlorella sp. KR-1 biomass.

PubMed

Jo, Yoon Ju; Lee, Ok Kyung; Lee, Eun Yeol

2014-04-01

Fatty acid methyl esters (FAMEs) and glycerol carbonate were simultaneously prepared from Chlorella sp. KR-1 containing 40.9% (w/w) lipid using a reactive extraction method with dimethyl carbonate (DMC). DMC was used as lipid extraction agent, acyl acceptor for transesterification of the extracted triglycerides, substrate for glycerol carbonate synthesis from glycerol, and reaction medium for the solvent-free reaction system. For 1g of biomass, 367.31 mg of FAMEs and 16.73 mg of glycerol carbonate were obtained under the optimized conditions: DMC to biomass ratio of 10:1 (v/w), water content of 0.5% (v/v), and Novozyme 435 to biomass ratio of 20% (w/w) at 70°C for 24h. The amount of residual glycerol was only in the range of 1-2.5mg. Compared to conventional method, the cost of FAME production with the proposed technique could be reduced by combining lipid extraction with transesterification and omitting the extraction solvent recovery process. Copyright © 2014 Elsevier Ltd. All rights reserved.

Negative decision outcomes are more common among people with lower decision-making competence: an item-level analysis of the Decision Outcome Inventory (DOI).

PubMed

Parker, Andrew M; Bruine de Bruin, Wändi; Fischhoff, Baruch

2015-01-01

Most behavioral decision research takes place in carefully controlled laboratory settings, and examination of relationships between performance and specific real-world decision outcomes is rare. One prior study shows that people who perform better on hypothetical decision tasks, assessed using the Adult Decision-Making Competence (A-DMC) measure, also tend to experience better real-world decision outcomes, as reported on the Decision Outcomes Inventory (DOI). The DOI score reflects avoidance of outcomes that could result from poor decisions, ranging from serious (e.g., bankruptcy) to minor (e.g., blisters from sunburn). The present analyses go beyond the initial work, which focused on the overall DOI score, by analyzing the relationships between specific decision outcomes and A-DMC performance. Most outcomes are significantly more likely among people with lower A-DMC scores, even after taking into account two variables expected to produce worse real-world decision outcomes: younger age and lower socio-economic status. We discuss the usefulness of DOI as a measure of successful real-world decision-making.

Performance of quantum Monte Carlo for calculating molecular bond lengths

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cleland, Deidre M., E-mail: deidre.cleland@csiro.au; Per, Manolo C., E-mail: manolo.per@csiro.au

2016-03-28

This work investigates the accuracy of real-space quantum Monte Carlo (QMC) methods for calculating molecular geometries. We present the equilibrium bond lengths of a test set of 30 diatomic molecules calculated using variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) methods. The effect of different trial wavefunctions is investigated using single determinants constructed from Hartree-Fock (HF) and Density Functional Theory (DFT) orbitals with LDA, PBE, and B3LYP functionals, as well as small multi-configurational self-consistent field (MCSCF) multi-determinant expansions. When compared to experimental geometries, all DMC methods exhibit smaller mean-absolute deviations (MADs) than those given by HF, DFT, and MCSCF.more » The most accurate MAD of 3 ± 2 × 10{sup −3} Å is achieved using DMC with a small multi-determinant expansion. However, the more computationally efficient multi-determinant VMC method has a similar MAD of only 4.0 ± 0.9 × 10{sup −3} Å, suggesting that QMC forces calculated from the relatively simple VMC algorithm may often be sufficient for accurate molecular geometries.« less

Unravelling abiotic and biotic controls on the seasonal water balance using data-driven dimensionless diagnostics

NASA Astrophysics Data System (ADS)

Seibert, Simon Paul; Jackisch, Conrad; Ehret, Uwe; Pfister, Laurent; Zehe, Erwin

2017-06-01

The baffling diversity of runoff generation processes, alongside our sketchy understanding of how physiographic characteristics control fundamental hydrological functions of water collection, storage, and release, continue to pose major research challenges in catchment hydrology. Here, we propose innovative data-driven diagnostic signatures for overcoming the prevailing status quo in catchment inter-comparison. More specifically, we present dimensionless double mass curves (dDMC) which allow inference of information on runoff generation and the water balance at the seasonal and annual timescales. By separating the vegetation and winter periods, dDMC furthermore provide information on the role of biotic and abiotic controls in seasonal runoff formation. A key aspect we address in this paper is the derivation of dimensionless expressions of fluxes which ensure the comparability of the signatures in space and time. We achieve this by using the limiting factors of a hydrological process as a scaling reference. We show that different references result in different diagnostics. As such we define two kinds of dDMC which allow us to derive seasonal runoff coefficients and to characterize dimensionless streamflow release as a function of the potential renewal rate of the soil storage. We expect these signatures for storage controlled seasonal runoff formation to remain invariant, as long as the ratios of release over supply and supply over storage capacity develop similarly in different catchments. We test the proposed methods by applying them to an operational data set comprising 22 catchments (12-166 km2) from different environments in southern Germany and hydrometeorological data from 4 hydrological years. The diagnostics are used to compare the sites and to reveal the dominant controls on runoff formation. The key findings are that dDMC are meaningful signatures for catchment runoff formation at the seasonal to annual scale and that the type of scaling strongly influences the diagnostic potential of the dDMC. Adding discrimination between growing season and winter period was of fundamental importance and easy to implement by means of a temperature-index model. More specifically, temperature aggregates explain over 70 % of the variability of the seasonal summer runoff coefficients. The results also show that the soil topographic index, i.e. the product of topographic gradient and saturated hydraulic conductivity, is significantly correlated with winter runoff coefficients, whereas the topographic gradient and the hydraulic conductivity alone are not. We conclude that proxies for gradients and resistances should be interpreted as a pair. Lastly, the dDMC concept reveals memory effects between summer and winter runoff regimes that are not relevant in spring between the transition from winter to summer.

Cognitive function and advanced kidney disease: longitudinal trends and impact on decision-making.

PubMed

Iyasere, Osasuyi; Okai, David; Brown, Edwina

2017-02-01

Background: Cognitive impairment commonly affects renal patients. But little is known about the influence of dialysis modality on cognitive trends or the influence of cognitive impairment on decision-making in renal patients. This study evaluated cognitive trends amongst chronic kidney disease (CKD), haemodialysis (HD) and peritoneal dialysis (PD) patients. The relationship between cognitive impairment and decision-making capacity (DMC) was also assessed. Methods: Patients were recruited from three outpatient clinics. Cognitive function was assessed 4-monthly for up to 2 years, using the Montreal Cognitive Assessment (MoCA) tool. Cognitive trends were assessed using mixed model analysis. DMC was assessed using the Macarthur Competency Assessment tool (MacCAT-T). MacCAT-T scores were compared between patients with cognitive impairment (MoCA <26) and those without. Results: In total, 102 (41 HD, 25 PD and 36 CKD) patients were recruited into the prospective study. After multivariate analysis, the total MoCA scores declined faster in dialysis compared with CKD patients [coefficient = -0.03, 95% confidence interval (95% CI) = -0.056 to - 0.004; P = 0.025]. The MoCA executive scores declined faster in the HD compared with PD patients (coefficient = -0.12, 95% CI = -0.233 to - 0.007; P = 0.037). DMC was assessed in 10 patients. Those with cognitive impairment had lower MacCAT-T compared with those without [median (interquartile range) 19 (17.9-19.6) versus 17.4 (16.3-18.4); P = 0.049]. Conclusions: Cognition declines faster in dialysis patients compared with CKD patients and in HD patients compared with PD patients. Cognitive impairment affects DMC in patients with advanced kidney disease.

Genetic parameters and prediction of genotypic values for root quality traits in cassava using REML/BLUP.

PubMed

Oliveira, E J; Santana, F A; Oliveira, L A; Santos, V S

2014-08-28

The aim of this study was to estimate the genetic parameters and predict the genotypic values of root quality traits in cassava (Manihot esculenta Crantz) using restricted maximum likelihood (REML) and best linear unbiased prediction (BLUP). A total of 471 cassava accessions were evaluated over two years of cultivation. The evaluated traits included amylose content (AML), root dry matter (DMC), cyanogenic compounds (CyC), and starch yield (StYi). Estimates of the individual broad-sense heritability of AML were low (hg(2) = 0.07 ± 0.02), medium for StYi and DMC, and high for CyC. The heritability of AML was substantially improved based on mean of accessions (hm(2) = 0.28), indicating that some strategies such as increasing the number of repetitions can be used to increase the selective efficiency. In general, the observed genotypic values were very close to the predicted average of the improved population, most likely due to the high accuracy (>0.90), especially for DMC, CyC, and StYi. Gains via selection of the 30 best genotypes for each trait were 4.8 and 3.2% for an increase and decrease for AML, respectively, an increase of 10.75 and 74.62% for DMC for StYi, respectively, and a decrease of 89.60% for CyC in relation to the overall mean of the genotypic values. Genotypic correlations between the quality traits of the cassava roots collected were generally favorable, although they were low in magnitude. The REML/BLUP method was adequate for estimating genetic parameters and predicting the genotypic values, making it useful for cassava breeding.

The combination of dimethoxycurcumin with DNA methylation inhibitor enhances gene re-expression of promoter-methylated genes and antagonizes their cytotoxic effect

PubMed Central

Hassan, Hazem E.; Keita, Jean-Arnaud; Narayan, Lawrence; Brady, Sean M.; Frederick, Richard; Carlson, Samuel; C. Glass, Karen; Natesan, Senthil; Buttolph, Thomm; Fandy, Tamer E.

2016-01-01

ABSTRACT Curcumin and its analogs exhibited antileukemic activity either as single agent or in combination therapy. Dimethoxycurcumin (DMC) is a more metabolically stable curcumin analog that was shown to induce the expression of promoter-methylated genes without reversing DNA methylation. Accordingly, co-treatment with DMC and DNA methyltransferase (DNMT) inhibitors could hypothetically enhance the re-expression of promoter-methylated tumor suppressor genes. In this study, we investigated the cytotoxic effects and epigenetic changes associated with the combination of DMC and the DNMT inhibitor decitabine (DAC) in primary leukemia samples and cell lines. The combination demonstrated antagonistic cytotoxic effects and was minimally cytotoxic to primary leukemia cells. The combination did not affect the metabolic stability of DMC. Although the combination enhanced the downregulation of nuclear DNMT proteins, the hypomethylating activity of the combination was not increased significantly compared to DAC alone. On the other hand, the combination significantly increased H3K27 acetylation (H3K27Ac) compared to the single agents near the promoter region of promoter-methylated genes. Furthermore, sequential chromatin immunoprecipitation (ChIP) and DNA pyrosequencing of the chromatin-enriched H3K27Ac did not show any significant decrease in DNA methylation compared to other regions. Consequently, the enhanced induction of promoter-methylated genes by the combination compared to DAC alone is mediated by a mechanism that involves increased histone acetylation and not through potentiation of the DNA hypomethylating activity of DAC. Collectively, our results provide the mechanistic basis for further characterization of this combination in leukemia animal models and early phase clinical trials. PMID:27588609

Mek1 Down Regulates Rad51 Activity during Yeast Meiosis by Phosphorylation of Hed1.

PubMed

Callender, Tracy L; Laureau, Raphaelle; Wan, Lihong; Chen, Xiangyu; Sandhu, Rima; Laljee, Saif; Zhou, Sai; Suhandynata, Ray T; Prugar, Evelyn; Gaines, William A; Kwon, YoungHo; Börner, G Valentin; Nicolas, Alain; Neiman, Aaron M; Hollingsworth, Nancy M

2016-08-01

During meiosis, programmed double strand breaks (DSBs) are repaired preferentially between homologs to generate crossovers that promote proper chromosome segregation at Meiosis I. In many organisms, there are two strand exchange proteins, Rad51 and the meiosis-specific Dmc1, required for interhomolog (IH) bias. This bias requires the presence, but not the strand exchange activity of Rad51, while Dmc1 is responsible for the bulk of meiotic recombination. How these activities are regulated is less well established. In dmc1Δ mutants, Rad51 is actively inhibited, thereby resulting in prophase arrest due to unrepaired DSBs triggering the meiotic recombination checkpoint. This inhibition is dependent upon the meiosis-specific kinase Mek1 and occurs through two different mechanisms that prevent complex formation with the Rad51 accessory factor Rad54: (i) phosphorylation of Rad54 by Mek1 and (ii) binding of Rad51 by the meiosis-specific protein Hed1. An open question has been why inhibition of Mek1 affects Hed1 repression of Rad51. This work shows that Hed1 is a direct substrate of Mek1. Phosphorylation of Hed1 at threonine 40 helps suppress Rad51 activity in dmc1Δ mutants by promoting Hed1 protein stability. Rad51-mediated recombination occurring in the absence of Hed1 phosphorylation results in a significant increase in non-exchange chromosomes despite wild-type levels of crossovers, confirming previous results indicating a defect in crossover assurance. We propose that Rad51 function in meiosis is regulated in part by the coordinated phosphorylation of Rad54 and Hed1 by Mek1.

The comprehensive electrophysiological study of curcuminoids on delayed-rectifier K+ currents in insulin-secreting cells.

PubMed

Kuo, Ping-Chung; Yang, Chia-Jung; Lee, Yu-Chi; Chen, Pei-Chun; Liu, Yen-Chin; Wu, Sheng-Nan

2018-01-15

Curcumin (CUR) has been demonstrated to induce insulin release from pancreatic β-cells; however, how curcuminoids (including demethoxycurcumin (DMC) and bisdemethoxycurcumin (BDMC)) exert any possible effects on membrane ion currents inherently in insulin-secreting cells remains largely unclear. The effects of CUR and other structurally similar curcuminoids on ion currents in rat insulin-secreting (INS-1) insulinoma cells were therefore investigated in this study. The effects of these compounds on ionic currents and membrane potential were studied by patch-clamp technique. CUR suppressed the amplitude of delayed-rectifier K + current (I K(DR) ) in a time-, state- and concentration-dependent manner in these cells and the inhibition was not reversed by diazoxide, nicorandil or chlorotoxin. The value of dissociation constant for CUR-induced suppression of I K(DR) in INS-1 cells was 1.26μM. Despite the inability of CUR to alter the activation rate of I K(DR) , it accelerated current inactivation elicited by membrane depolarization. Increasing CUR concentrations shifted the inactivation curve of I K(DR) to hyperpolarized potential and slowed the recovery of I K(DR) inactivation. CUR, DMC, and BDMC all exerted depressant actions on I K(DR) amplitude to a similar magnitude, although DMC and BDMC did not increase current inactivation clearly. CUR slightly suppressed the peak amplitude of voltage-gated Na + current. CUR, DMC and BDMC depolarized the resting potential and increased firing frequency of action potentials. The CUR-mediated decrease of I K(DR) and the increase of current inactivation also occurred in βTC-6 INS-1 cells. Taken these results together, these effects may be one of the possible mechanisms contributing their insulin-releasing effect. Copyright © 2017 Elsevier B.V. All rights reserved.

In-pore exchange and diffusion of carbonate solvent mixtures in nanoporous carbon

DOE PAGES

Alam, Todd M.; Osborn Popp, Thomas M.

2016-06-04

High resolution magic angle spinning (HRMAS) 1H NMR spectroscopy has been used to resolve different surface and in-pore solvent environments of ethylene carbonate (EC) and dimethyl carbonate (DMC) mixtures absorbed within nanoporous carbon (NPC). Two dimensional (2D) 1H HRMAS NMR exchange measurements revealed that the inhomogeneous broadened in-pore resonances have pore-to-pore exchange rates on the millisecond timescale. Pulsed-field gradient (PFG) NMR diffusometry revealed the in-pore self-diffusion constants for both EC and DMC were reduced by up to a factor of five with respect to the diffusion in the non-absorbed solvent mixtures.

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitra, Chandrima; Krogel, Jaron T.; Santana, Juan A.

2015-10-28

We present a many-body diffusion quantum Monte Carlo (DMC) study of the bulk and defect properties of NiO. We find excellent agreement with experimental values, within 0.3%, 0.6%, and 3.5% for the lattice constant, cohesive energy, and bulk modulus, respectively. The quasiparticle bandgap was also computed, and the DMC result of 4.72 (0.17) eV compares well with the experimental value of 4.3 eV. Furthermore, DMC calculations of excited states at the L, Z, and the gamma point of the Brillouin zone reveal a flat upper valence band for NiO, in good agreement with Angle Resolved Photoemission Spectroscopy results. To studymore » defect properties, we evaluated the formation energies of the neutral and charged vacancies of oxygen and nickel in NiO. A formation energy of 7.2 (0.15) eV was found for the oxygen vacancy under oxygen rich conditions. For the Ni vacancy, we obtained a formation energy of 3.2 (0.15) eV under Ni rich conditions. These results confirm that NiO occurs as a p-type material with the dominant intrinsic vacancy defect being Ni vacancy.« less

Protective effects of 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone to PC12 cells against cytotoxicity induced by hydrogen peroxide.

PubMed

Su, Ming-Yuan; Huang, Hai-Ya; Li, Lin; Lu, Yan-Hua

2011-01-26

Oxidative stress has been considered as a major cause of cellular injuries in various clinical abnormalities. One of the possible ways to prevent reactive oxygen species (ROS)-mediated cellular injury is dietary or pharmaceutical therapies to augment the endogenous antioxidant defense capacity. The present study found that 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone (DMC), a chalcone isolated from the buds of Cleistocalyx operculatus, possessed cytoprotective activity in PC12 cells treated with H(2)O(2). The results showed that DMC could effectively increase cell viability [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide (MTT) reduction], decrease the cell apoptotic percentage [annexin V/propidium iodide (AV/PI) assay], prevent the membrane from damage [lactate dehydrogenase (LDH) release], scavenge ROS formation, reduce caspase-3 activity, and attenuate the decrease of mitochondrial membrane potential (MMP) in PC12 cells treated with H(2)O(2). Meanwhile, DMC increased the catalytic activity of superoxide dismutase (SOD) and the cellular amount of glutathione (GSH), decreased the cellular amount of malondialdehyde (MDA), and decreased the production of lipid peroxidation in PC12 cells treated with H(2)O(2).

Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions

NASA Astrophysics Data System (ADS)

Hahn, Thomas; Klimin, Sergei; Tempere, Jacques; Devreese, Jozef T.; Franchini, Cesare

2018-04-01

We present results for the solution of the large polaron Fröhlich Hamiltonian in 3 dimensions (3D) and 2 dimensions (2D) obtained via the diagrammatic Monte Carlo (DMC) method. Our implementation is based on the approach by Mishchenko [A. S. Mishchenko et al., Phys. Rev. B 62, 6317 (2000), 10.1103/PhysRevB.62.6317]. Polaron ground state energies and effective polaron masses are successfully benchmarked with data obtained using Feynman's path integral formalism. By comparing 3D and 2D data, we verify the analytically exact scaling relations for energies and effective masses from 3 D →2 D , which provides a stringent test for the quality of DMC predictions. The accuracy of our results is further proven by providing values for the exactly known coefficients in weak- and strong-coupling expansions. Moreover, we compute polaron dispersion curves which are validated with analytically known lower and upper limits in the small-coupling regime and verify the first-order expansion results for larger couplings, thus disproving previous critiques on the apparent incompatibility of DMC with analytical results and furnishing useful reference for a wide range of coupling strengths.

Control of lithium metal anode cycleability by electrolyte temperature

NASA Astrophysics Data System (ADS)

Ishikawa, Masashi; Kanemoto, Manabu; Morita, Masayuki

Precycling of lithium (Li) metal on a nickel substrate at low temperatures (0 and -20°C) in propylene carbonate (PC) mixed with dimethyl carbonate (DMC) and Li hexafluorophosphate (LiPF 6) (LiPF 6-PC/DMC) was found to enhance Li cycleability in the subsequent cycles at a room temperature (25°C). In contrast when the precycling at the low temperatures was performed in PC mixed with 2-methyltetrahydrofuran (2MeTHF) and LiPF 6 (LiPF 6-PC/2MeTHF), no improvement in the Li cycling efficiency was observed in the subsequent cycles at 25°C. These results suggest that the low-temperature precycling effect on the Li cycleability depends on a co-solvent used in the PC-based electrolytes. Ac impedance analysis revealed that the precycling in the low-temperature LiPF 6-PC/DMC electrolyte provided a compact Li interface with a low resistance. In marked constant to this, a Li anode interface formed by the precycling in the LiPF 6-PC/2MeTHF system was irregular and resistive to Li-ion diffusion. The origins of the low-temperature precycling effect dependent on the co-solvents were discussed.

When Does Decisional Impairment Become Decisional Incompetence? Ethical and Methodological Issues in Capacity Research in Schizophrenia

PubMed Central

Kim, Scott Y H

2006-01-01

Most decision-making capacity (DMC) research has focused on measuring the decision-making abilities of patients, rather than on how such persons may be categorized as competent or incompetent. However, research ethics policies and practices either assume that we can differentiate or attempt to guide the differentiation of the competent from the incompetent. Thus there is a need to build on the recent advances in capacity research by conceptualizing and studying DMC as a categorical concept. This review discusses why there is a need for such research and addresses challenges and obstacles, both practical and theoretical. After a discussion of the potential obstacles and suggesting ways to overcome them, it discusses why clinicians with expertise in capacity assessments may be the best source of a provisional “gold standard” for criterion validation of categorical capacity status. The review provides discussions of selected key methodological issues in conducting research that treats DMC as a categorical concept, such as the issue of the optimal number of expert judges needed to generate a criterion standard and the kinds of information presented to the experts in obtaining their judgments. Future research needs are outlined. PMID:16177276

IRIS Earthquake Browser with Integration to the GEON IDV for 3-D Visualization of Hypocenters.

NASA Astrophysics Data System (ADS)

Weertman, B. R.

2007-12-01

We present a new generation of web based earthquake query tool - the IRIS Earthquake Browser (IEB). The IEB combines the DMC's large set of earthquake catalogs (provided by USGS/NEIC, ISC and the ANF) with the popular Google Maps web interface. With the IEB you can quickly and easily find earthquakes in any region of the globe. Using Google's detailed satellite images, earthquakes can be easily co-located with natural geographic features such as volcanoes as well as man made features such as commercial mines. A set of controls allow earthquakes to be filtered by time, magnitude, and depth range as well as catalog name, contributor name and magnitude type. Displayed events can be easily exported in NetCDF format into the GEON Integrated Data Viewer (IDV) where hypocenters may be visualized in three dimensions. Looking "under the hood", the IEB is based on AJAX technology and utilizes REST style web services hosted at the IRIS DMC. The IEB is part of a broader effort at the DMC aimed at making our data holdings available via web services. The IEB is useful both educationally and as a research tool.

Hydrogen molecules inside fullerene C70: quantum dynamics, energetics, maximum occupancy, and comparison with C60.

PubMed

Sebastianelli, Francesco; Xu, Minzhong; Bacić, Zlatko; Lawler, Ronald; Turro, Nicholas J

2010-07-21

Recent synthesis of the endohedral complexes of C(70) and its open-cage derivative with one and two H(2) molecules has opened the path for experimental and theoretical investigations of the unique dynamic, spectroscopic, and other properties of systems with multiple hydrogen molecules confined inside a nanoscale cavity. Here we report a rigorous theoretical study of the dynamics of the coupled translational and rotational motions of H(2) molecules in C(70) and C(60), which are highly quantum mechanical. Diffusion Monte Carlo (DMC) calculations were performed for up to three para-H(2) (p-H(2)) molecules encapsulated in C(70) and for one and two p-H(2) molecules inside C(60). These calculations provide a quantitative description of the ground-state properties, energetics, and the translation-rotation (T-R) zero-point energies (ZPEs) of the nanoconfined p-H(2) molecules and of the spatial distribution of two p-H(2) molecules in the cavity of C(70). The energy of the global minimum on the intermolecular potential energy surface (PES) is negative for one and two H(2) molecules in C(70) but has a high positive value when the third H(2) is added, implying that at most two H(2) molecules can be stabilized inside C(70). By the same criterion, in the case of C(60), only the endohedral complex with one H(2) molecule is energetically stable. Our results are consistent with the fact that recently both (H(2))(n)@C(70) (n = 1, 2) and H(2)@C(60) were prepared, but not (H(2))(3)@C(70) or (H(2))(2)@C(60). The ZPE of the coupled T-R motions, from the DMC calculations, grows rapidly with the number of caged p-H(2) molecules and is a significant fraction of the well depth of the intermolecular PES, 11% in the case of p-H(2)@C(70) and 52% for (p-H(2))(2)@C(70). Consequently, the T-R ZPE represents a major component of the energetics of the encapsulated H(2) molecules. The inclusion of the ZPE nearly doubles the energy by which (p-H(2))(3)@C(70) is destabilized and increases by 66% the energetic destabilization of (p-H(2))(2)@C(60). For these reasons, the T-R ZPE has to be calculated accurately and taken into account for reliable theoretical predictions regarding the stability of the endohedral fullerene complexes with hydrogen molecules and their maximum H(2) content.

Distinct Motion of GFP-Tagged Histone Expressing Cells Under AC Electrokinetics in Electrode-Multilayered Microfluidic Device.

PubMed

Yao, Jiafeng; Sugawara, Michiko; Obara, Hiromichi; Mizutani, Takeomi; Takei, Masahiro

2017-12-01

The distinct motion of GFP-tagged histone expressing cells (Histone-GFP type cells) has been investigated under ac electrokinetics in an electrode-multilayered microfluidic device as compared with Wild type cells and GFP type cells in terms of different intracellular components. The Histone-GFP type cells were modified by the transfection of green fluorescent protein-fused histone from the human lung fibroblast cell line. The velocity of the Histone-GFP type cells obtained by particle tracking velocimetry technique is faster than Wild type cells by 24.9% and GFP type cells by 57.1%. This phenomenon is caused by the more amount of proteins in the intracellular of single Histone-GFP type cell than that of the Wild type and GFP type cells. The more amount of proteins in the Histone-GFP type cells corresponds to a lower electric permittivity ϵ c of the cells, which generates a lower dielectrophoretic force exerting on the cells. The velocity of Histone-GFP type cells is well agreed with Eulerian-Lagrangian two-phase flow simulation by 4.2% mean error, which proves that the fluid motion driven by thermal buoyancy and electrothermal force dominates the direction of cells motion, while the distinct motion of Histone-GFP type cells is caused by dielectrophoretic force. The fluid motion does not generate a distinct drag motion for Histone-GFP type cells because the Histone-GFP type cells have the same size to the Wild type and GFP type cells. These results clarified the mechanism of cells motion in terms of intracellular components, which helps to improve the cell manipulation efficiency with electrokinetics.

Potential Utility of a 4K Consumer Camera for Surgical Education in Ophthalmology.

PubMed

Ichihashi, Tsunetomo; Hirabayashi, Yutaka; Nagahara, Miyuki

2017-01-01

Purpose. We evaluated the potential utility of a cost-effective 4K consumer video system for surgical education in ophthalmology. Setting. Tokai University Hachioji Hospital, Tokyo, Japan. Design. Experimental study. Methods. The eyes that underwent cataract surgery, glaucoma surgery, vitreoretinal surgery, or oculoplastic surgery between February 2016 and April 2016 were recorded with 17.2 million pixels using a high-definition digital video camera (LUMIX DMC-GH4, Panasonic, Japan) and with 0.41 million pixels using a conventional analog video camera (MKC-501, Ikegami, Japan). Motion pictures of two cases for each surgery type were evaluated and classified as having poor, normal, or excellent visibility. Results. The 4K video system was easily installed by reading the instructions without technical expertise. The details of the surgical picture in the 4K system were highly improved over those of the conventional pictures, and the visual effects for surgical education were significantly improved. Motion pictures were stored for approximately 11 h with 512 GB SD memory. The total price of this system was USD 8000, which is a very low price compared with a commercial system. Conclusion. This 4K consumer camera was able to record and play back with high-definition surgical field visibility on the 4K monitor and is a low-cost, high-performing alternative for surgical facilities.

Frequentist and Bayesian Orbital Parameter Estimaton from Radial Velocity Data Using RVLIN, BOOTTRAN, and RUN DMC

NASA Astrophysics Data System (ADS)

Nelson, Benjamin Earl; Wright, Jason Thomas; Wang, Sharon

2015-08-01

For this hack session, we will present three tools used in analyses of radial velocity exoplanet systems. RVLIN is a set of IDL routines used to quickly fit an arbitrary number of Keplerian curves to radial velocity data to find adequate parameter point estimates. BOOTTRAN is an IDL-based extension of RVLIN to provide orbital parameter uncertainties using bootstrap based on a Keplerian model. RUN DMC is a highly parallelized Markov chain Monte Carlo algorithm that employs an n-body model, primarily used for dynamically complex or poorly constrained exoplanet systems. We will compare the performance of these tools and their applications to various exoplanet systems.

Collective Motion in Bacterial Populations with Mixed Phenotypic Behaviors

NASA Astrophysics Data System (ADS)

Hoeger, Kentaro; Strickland, Ben; Shoup, Daniel; Ursell, Tristan

The motion of large, densely packed groups of organisms is often qualitatively distinct from the motion of individuals, yet hinges on individual properties and behaviors. Collective motion of bacteria depends strongly on the phenotypic behaviors of individual cells, the physical interactions between cells, and the geometry of their environment, often with multiple phenotypes coexisting in a population. Thus, to characterize how these selectively important interactions affect group traits, such as cell dispersal, spatial segregation of phenotypes, and material transport in groups, we use a library of Bacillus subtilis mutants that modulate chemotaxis, motility, and biofilm formation. By mixing phenotypes and observing bacterial behaviors and motion at single cell resolution, we probe collective motion as a function of phenotypic mixture and environmental geometry. Our work demonstrates that collective microbial motion exhibits a transition, from `turbulence' to semiballistic burrowing, as phenotypic composition varies. This work illuminates the role that individual cell behaviors play in the emergence of collective motion, and may signal qualitatively distinct regimes of material transport in bacterial populations. University of Oregon.

Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO

DOE PAGES

Mitra, Chandrima; Krogel, Jaron T.; Santana, Juan A.; ...

2015-10-28

We present a many-body diffusion quantum Monte Carlo (DMC) study of the bulk and defect properties of NiO. We find excellent agreement with experimental values, within 0.3%, 0.6%, and 3.5% for the lattice constant, cohesive energy, and bulk modulus, respectively. The quasiparticle bandgap was also computed, and the DMC result of 4.72 (0.17) eV compares well with the experimental value of 4.3 eV. Furthermore, DMC calculations of excited states at the L, Z, and the gamma point of the Brillouin zone reveal a flat upper valence band for NiO, in good agreement with Angle Resolved Photoemission Spectroscopy results. To studymore » defect properties, we evaluated the formation energies of the neutral and charged vacancies of oxygen and nickel in NiO. A formation energy of 7.2 (0.15) eV was found for the oxygen vacancy under oxygen rich conditions. For the Ni vacancy, we obtained a formation energy of 3.2 (0.15) eV under Ni rich conditions. Lastly, these results confirm that NiO occurs as a p-type material with the dominant intrinsic vacancy defect being Ni vacancy. (C) 2015 AIP Publishing LLC.« less

Density-functional theory study of dimethyl carbonate synthesis by methanol oxidative carbonylation on single-atom Cu1/graphene catalyst

NASA Astrophysics Data System (ADS)

Sun, Wei; Shi, Ruina; Wang, Xuhui; Liu, Shusen; Han, Xiaoxia; Zhao, Chaofan; Li, Zhong; Ren, Jun

2017-12-01

The mechanism for dimethyl carbonate (DMC) synthesis by oxidation carbonylation of methanol on a single-atom Cu1/graphene catalyst was investigated by density-functional theory calculations. Carbon vacancies in graphene can significantly enhance the interaction between Cu atoms and graphene supports, and provide an increased transfer of electrons from Cu atoms to the graphene sheet. Compared with Cu-doped divacancy graphene (Cu/DG), Cu-doped monovacancy graphene (Cu/MG) provides a stronger interaction between adsorbents and the catalyst surface. Among the reaction processes over Cu1/graphene catalysts, CO insertion into methoxide was more favorable than dimethoxide. The rate-limiting step on the Cu/DG surface is the carbomethoxide reaction with methoxide, which is exothermic by 164.6 kJ mol-1 and has an activation barrier of 190.9 kJ mol-1 energy. Compared with that on the Cu crystal surface, Cu4 and Cu3Rh clusters, and the Cu2O(111) surface, the rate-determining step for DMC formation on Cu/MG, which is CO insertion into methoxide, needs to overcome the lowest barrier of 73.5 kJ mol-1 and is exothermic by 44.6 kJ mol-1. Therefore, Cu/MG was beneficial to the formation of DMC as a single-atom catalyst.

Detector Simulation and WIMP Search Analysis for the Cryogenic Dark Matter Search Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCarthy, Kevin

2013-06-01

Astrophysical and cosmological measurements on the scales of galaxies, galaxy clusters, and the universe indicate that 85% of the matter in the universe is composed of dark matter, made up of non-baryonic particles that interact with cross-sections on the weak scale or lower. Hypothetical Weakly Interacting Massive Particles, or WIMPs, represent a potential solution to the dark matter problem, and naturally arise in certain Standard Model extensions. The Cryogenic Dark Matter Search (CDMS) collaboration aims to detect the scattering of WIMP particles from nuclei in terrestrial detectors. Germanium and silicon particle detectors are deployed in the Soudan Underground Laboratory inmore » Minnesota. These detectors are instrumented with phonon and ionization sensors, which allows for discrimination against electromagnetic backgrounds, which strike the detector at rates orders of magnitude higher than the expected WIMP signal. This dissertation presents the development of numerical models of the physics of the CDMS detectors, implemented in a computational package collectively known as the CDMS Detector Monte Carlo (DMC). After substantial validation of the models against data, the DMC is used to investigate potential backgrounds to the next iteration of the CDMS experiment, known as SuperCDMS. Finally, an investigation of using the DMC in a reverse Monte Carlo analysis of WIMP search data is presented.« less

A New Method for Non-destructive Measurement of Biomass, Growth Rates, Vertical Biomass Distribution and Dry Matter Content Based on Digital Image Analysis

PubMed Central

Tackenberg, Oliver

2007-01-01

Background and Aims Biomass is an important trait in functional ecology and growth analysis. The typical methods for measuring biomass are destructive. Thus, they do not allow the development of individual plants to be followed and they require many individuals to be cultivated for repeated measurements. Non-destructive methods do not have these limitations. Here, a non-destructive method based on digital image analysis is presented, addressing not only above-ground fresh biomass (FBM) and oven-dried biomass (DBM), but also vertical biomass distribution as well as dry matter content (DMC) and growth rates. Methods Scaled digital images of the plants silhouettes were taken for 582 individuals of 27 grass species (Poaceae). Above-ground biomass and DMC were measured using destructive methods. With image analysis software Zeiss KS 300, the projected area and the proportion of greenish pixels were calculated, and generalized linear models (GLMs) were developed with destructively measured parameters as dependent variables and parameters derived from image analysis as independent variables. A bootstrap analysis was performed to assess the number of individuals required for re-calibration of the models. Key Results The results of the developed models showed no systematic errors compared with traditionally measured values and explained most of their variance (R2 ≥ 0·85 for all models). The presented models can be directly applied to herbaceous grasses without further calibration. Applying the models to other growth forms might require a re-calibration which can be based on only 10–20 individuals for FBM or DMC and on 40–50 individuals for DBM. Conclusions The methods presented are time and cost effective compared with traditional methods, especially if development or growth rates are to be measured repeatedly. Hence, they offer an alternative way of determining biomass, especially as they are non-destructive and address not only FBM and DBM, but also vertical biomass distribution and DMC. PMID:17353204

Fixed node diffusion Monte Carlo using a genetic algorithm: a study of the CO-(4)He(N) complex, N = 1…10.

PubMed

Ramilowski, Jordan A; Farrelly, David

2012-06-14

The diffusion Monte Carlo (DMC) method is a widely used algorithm for computing both ground and excited states of many-particle systems; for states without nodes the algorithm is numerically exact. In the presence of nodes approximations must be introduced, for example, the fixed-node approximation. Recently we have developed a genetic algorithm (GA) based approach which allows the computation of nodal surfaces on-the-fly [Ramilowski and Farrelly, Phys. Chem. Chem. Phys., 2010, 12, 12450]. Here GA-DMC is applied to the computation of rovibrational states of CO-(4)He(N) complexes with N≤ 10. These complexes have been the subject of recent high resolution microwave and millimeter-wave studies which traced the onset of microscopic superfluidity in a doped (4)He droplet, one atom at a time, up to N = 10 [Surin et al., Phys. Rev. Lett., 2008, 101, 233401; Raston et al., Phys. Chem. Chem. Phys., 2010, 12, 8260]. The frequencies of the a-type (microwave) series, which correlate with end-over-end rotation in the CO-(4)He dimer, decrease from N = 1 to 3 and then smoothly increase. This signifies the transition from a molecular complex to a quantum solvated system. The frequencies of the b-type (millimeter-wave) series, which evolves from free rotation of the rigid CO molecule, initially increase from N = 0 to N∼ 6 before starting to decrease with increasing N. An interesting feature of the b-type series, originally observed in the high resolution infra-red (IR) experiments of Tang and McKellar [J. Chem. Phys., 2003, 119, 754] is that, for N = 7, two lines are observed. The GA-DMC algorithm is found to be in good agreement with experimental results and possibly detects the small (∼0.7 cm(-1)) splitting in the b-series line at N = 7. Advantages and disadvantages of GA-DMC are discussed.

Comparison of antioxidant, anticholinesterase, and antidiabetic activities of three curcuminoids isolated from Curcuma longa L.

PubMed

Kalaycıoğlu, Zeynep; Gazioğlu, Işıl; Erim, F Bedia

2017-12-01

Antioxidant, anticholinesterase and antidiabetic activities of three curcuminoids isolated from the Curcuma longa were simultaneously tested and compared in this study. The highest antioxidant power was detected for curcumin with the applied methods. The drug potentials of curcuminoids for Alzheimer's disease were controlled. Bisdemethoxycurcumin (BDMC) showed substantial inhibitory activity. The activity of demethoxycurcumin (DMC) followed BDMC, whereas curcumin showed very little acetylcholinesterase inhibition activity. Antidiabetic activity of curcuminoids was evaluated by their α-glucosidase inhibitory activities. All curcuminoids show activities with decreasing order as BDMC > curcumin > DMC. The significant activities of BDMC compared to its isomers and examination of chemical structures of isomers might be a starting point in designing new drugs for Alzheimer's and Diabetes Mellitus.

Electrochemical and theoretical characterization of the electro-oxidation of dimethoxycurcumin

NASA Astrophysics Data System (ADS)

Arrue, Lily; Barra, Tomas; Camarada, María Belén; Zarate, Ximena; Schott, Eduardo

2017-06-01

Dimethoxycurcumin (DMC) ((1E,6E)-1-(3,4-dimethoxycyclohexyl)-7-(3,4-dimethoxyphenyl) hepta-1,6- diene-3,5-dione) is a natural polyphenolic compound that appears together with curcumin in turmeric. Both molecules have wide range biological activities as antioxidant, anti-inflammatory and anti-carcinogenic agent. To evaluate the oxidation process and kinetics for DMC, the rate constant, electron transfer and diffusion coefficients for the electrochemical oxidation were determined. Therefore, its electrochemical behavior over a platinum electrode in anhydrous media was investigated. Furthermore, DFT calculations were performed to give a rational explanation to the obtained results. All the results support the fact that the central sbnd CH2sbnd group is the most reactive against an oxidation process.

Perceptual interaction of local motion signals

PubMed Central

Nitzany, Eyal I.; Loe, Maren E.; Palmer, Stephanie E.; Victor, Jonathan D.

2016-01-01

Motion signals are a rich source of information used in many everyday tasks, such as segregation of objects from background and navigation. Motion analysis by biological systems is generally considered to consist of two stages: extraction of local motion signals followed by spatial integration. Studies using synthetic stimuli show that there are many kinds and subtypes of local motion signals. When presented in isolation, these stimuli elicit behavioral and neurophysiological responses in a wide range of species, from insects to mammals. However, these mathematically-distinct varieties of local motion signals typically co-exist in natural scenes. This study focuses on interactions between two kinds of local motion signals: Fourier and glider. Fourier signals are typically associated with translation, while glider signals occur when an object approaches or recedes. Here, using a novel class of synthetic stimuli, we ask how distinct kinds of local motion signals interact and whether context influences sensitivity to Fourier motion. We report that local motion signals of different types interact at the perceptual level, and that this interaction can include subthreshold summation and, in some subjects, subtle context-dependent changes in sensitivity. We discuss the implications of these observations, and the factors that may underlie them. PMID:27902829

Perceptual interaction of local motion signals.

PubMed

Nitzany, Eyal I; Loe, Maren E; Palmer, Stephanie E; Victor, Jonathan D

2016-11-01

Motion signals are a rich source of information used in many everyday tasks, such as segregation of objects from background and navigation. Motion analysis by biological systems is generally considered to consist of two stages: extraction of local motion signals followed by spatial integration. Studies using synthetic stimuli show that there are many kinds and subtypes of local motion signals. When presented in isolation, these stimuli elicit behavioral and neurophysiological responses in a wide range of species, from insects to mammals. However, these mathematically-distinct varieties of local motion signals typically co-exist in natural scenes. This study focuses on interactions between two kinds of local motion signals: Fourier and glider. Fourier signals are typically associated with translation, while glider signals occur when an object approaches or recedes. Here, using a novel class of synthetic stimuli, we ask how distinct kinds of local motion signals interact and whether context influences sensitivity to Fourier motion. We report that local motion signals of different types interact at the perceptual level, and that this interaction can include subthreshold summation and, in some subjects, subtle context-dependent changes in sensitivity. We discuss the implications of these observations, and the factors that may underlie them.

Helical filaments of human Dmc1 protein on single-stranded DNA: a cautionary tale

PubMed Central

Yu, Xiong; Egelman, Edward H.

2010-01-01

Proteins in the RecA/Rad51/RadA family form nucleoprotein filaments on DNA that catalyze a strand exchange reaction as part of homologous genetic recombination. Because of the centrality of this system to many aspects of DNA repair, the generation of genetic diversity, and cancer when this system fails or is not properly regulated, these filaments have been the object of many biochemical and biophysical studies. A recent paper has argued that the human Dmc1 protein, a meiotic homolog of bacterial RecA and human Rad51, forms filaments on single stranded DNA with ∼ 9 subunits per turn in contrast to the filaments formed on double stranded DNA with ∼ 6.4 subunits per turn, and that the stoichiometry of DNA binding is different between these two filaments. We show using scanning transmission electron microscopy (STEM) that the Dmc1 filament formed on single stranded DNA has a mass per unit length expected from ∼ 6.5 subunits per turn. More generally, we show how ambiguities in helical symmetry determination can generate incorrect solutions, and why one sometimes must use other techniques, such as biochemistry, metal shadowing, or STEM to resolve these ambiguities. While three-dimensional reconstruction of helical filaments from EM images is a powerful tool, the intrinsic ambiguities that may be present with limited resolution are not sufficiently appreciated. PMID:20600108

MUSTANG: A Community-Facing Web Service to Improve Seismic Data Quality Awareness Through Metrics

NASA Astrophysics Data System (ADS)

Templeton, M. E.; Ahern, T. K.; Casey, R. E.; Sharer, G.; Weertman, B.; Ashmore, S.

2014-12-01

IRIS DMC is engaged in a new effort to provide broad and deep visibility into the quality of data and metadata found in its terabyte-scale geophysical data archive. Taking advantage of large and fast disk capacity, modern advances in open database technologies, and nimble provisioning of virtual machine resources, we are creating an openly accessible treasure trove of data measurements for scientists and the general public to utilize in providing new insights into the quality of this data. We have branded this statistical gathering system MUSTANG, and have constructed it as a component of the web services suite that IRIS DMC offers. MUSTANG measures over forty data metrics addressing issues with archive status, data statistics and continuity, signal anomalies, noise analysis, metadata checks, and station state of health. These metrics could potentially be used both by network operators to diagnose station problems and by data users to sort suitable data from unreliable or unusable data. Our poster details what MUSTANG is, how users can access it, what measurements they can find, and how MUSTANG fits into the IRIS DMC's data access ecosystem. Progress in data processing, approaches to data visualization, and case studies of MUSTANG's use for quality assurance will be presented. We want to illustrate what is possible with data quality assurance, the need for data quality assurance, and how the seismic community will benefit from this freely available analytics service.

High voltage stable liquid electrolytes for Li 1+ xMn 2O 4/carbon rocking-chair lithium batteries

NASA Astrophysics Data System (ADS)

Guyomard, D.; Tarascon, J. M.

A high voltage oxidation-resistant electrolyte is required for Li 1+ xMn 2O 4/carbon rocking-chair cells that need to be charged up to a voltage higher than 4.3 V. Many electrolyte compositions have been tested for their ability to resist to high voltages on Li 1+ xMn 2O 4 electrodes and their ability to maintain high ionic conductivity in a wide temperature range. This survey allowed us to select new electrolyte compositions in the system dimethyl carbonate (DMC) + ethylene carbonate (EC) + lithium hexafluorophosphate (LiPF 6) that are kinetically stable up to almost 5 V versus lithium at 55 °C on Li 1+ xMn 2O 4 electrodes. Low rate potentiostatic experiments, coupled with coulombmetric measurements in the 4.25-5.1 V range, allowed to select the following compositions: (DMC + EC) (1:2) + 1 M LiPF 6 and (DMC + EC) (2:1) + 1.5 M LiPF 6 as the best. These compositions have been used in practical Li 1+ xMn 2O 4/carbon rocking-chair batteries and show better performance in terms of cycle life and self-discharge over a wider temperature range. They are compatible with rocking-chair batteries based on LiCoO 2 and LiNiO 2 as well.

Electrochemical and impedance investigation of the effect of lithium malonate on the performance of natural graphite electrodes in lithium-ion batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Xiao-Guang; Dai, Sheng

2010-01-01

Lithium malonate (LM) was coated on the surface of a natural graphite (NG) electrode, which was then tested as the negative electrode in the electrolytes of 0.9 M LiPF6/EC-PC-DMC (1/1/3, by weight) and 1.0 M LiBF4/EC-PC-DMC (1/1/3, by weight) under a current density of 0.075 mA cm-2. LM was also used as an additive to the electrolyte of 1.0 M LiPF6/EC-DMC-DEC (1/1/1, by volume) and tested on a bare graphite electrode. It was found that both the surface coating and the additive approach were effective in improving first charge discharge capacity and coulomb efficiency. Electrochemical impedance spectra showed that themore » decreased interfacial impedance was coupled with improved coulomb efficiency of the cells using coated graphite electrodes. Cyclic voltammograms (CVs) on fresh bare and coated natural graphite electrodes confirmed that all the improvement in the half-cell performance was due to the suppression of the solvent decomposition through the surface modification with LM. The CV data also showed that the carbonate electrolyte with LM as the additive was not stable against oxidation, which resulted in lower capacity of the full cell with commercial graphite and LiCoO2 electrodes.« less

Low-EC-Content Electrolytes for Low-Temperature Li-Ion Cells

NASA Technical Reports Server (NTRS)

Smart, Marshall; Bugga, Ratnakumar; Surampudi, Subbarao

2003-01-01

Electrolytes comprising LiPF6 dissolved at a concentration of 1.0 M in three different mixtures of alkyl carbonates have been found well suited for use in rechargeable lithium-ion electrochemical cells at low temperatures. These and other electrolytes have been investigated in continuing research directed toward extending the lower limit of practical operating temperatures of Li-ion cells down to -60 C. This research at earlier stages was reported in numerous previous NASA Tech Briefs articles, the three most recent being "Ethyl Methyl Carbonate as a Cosolvent for Lithium-Ion Cells" (NPO-20605), Vol. 25, Low-EC-Content Electrolytes for Low-Temperature Li-Ion Cells No. 6 (June 2001), page 53; "Alkyl Pyrocarbonate Electrolyte Additives for Li-Ion Cells" (NPO-20775), Vol. 26, No. 5 (May 2002), page 37; and "Fluorinated Alkyl Carbonates as Cosolvents in Li-Ion Cells (NPO-21076), Vol. 26, No. 5 (May 2002), page 38. The present solvent mixtures, in terms of volume proportions of their ingredients, are 1 ethylene carbonate (EC) + 1 diethyl carbonate (DEC) + 1 dimethyl carbonate (DMC) + 3 ethyl methyl carbonate (EMC); 3EC + 3DMC + 14EMC; and 1EC + 1DEC + 1DMC + 4EMC. Relative to similar mixtures reported previously, the present mixtures, which contain smaller proportions of EC, have been found to afford better performance in experimental Li-ion cells at temperatures < -20 C.

Stroop proactive control and task conflict are modulated by concurrent working memory load.

PubMed

Kalanthroff, Eyal; Avnit, Amir; Henik, Avishai; Davelaar, Eddy J; Usher, Marius

2015-06-01

Performance on the Stroop task reflects two types of conflict-informational (between the incongruent word and font color) and task (between the contextually relevant color-naming task and the irrelevant, but automatic, word-reading task). According to the dual mechanisms of control theory (DMC; Braver, 2012), variability in Stroop performance can result from variability in the deployment of a proactive task-demand control mechanism. Previous research has shown that when proactive control (PC) is diminished, both increased Stroop interference and a reversed Stroop facilitation (RF) are observed. Although the current DMC model accounts for the former effect, it does not predict the observed RF, which is considered to be behavioral evidence for task conflict in the Stroop task. Here we expanded the DMC model to account for Stroop RF. Assuming that a concurrent working memory (WM) task reduces PC, we predicted both increased interference and an RF. Nineteen participants performed a standard Stroop task combined with a concurrent n-back task, which was aimed at reducing available WM resources, and thus overloading PC. Although the results indicated common Stroop interference and facilitation in the low-load condition (zero-back), in the high-load condition (two-back), both increased Stroop interference and RF were observed, consistent with the model's prediction. These findings indicate that PC is modulated by concurrent WM load and serves as a common control mechanism for both informational and task Stroop conflicts.

Mechanistic investigations on dimethyl carbonate formation by oxidative carbonylation of methanol over a CuY zeolite: an operando SSITKA/DRIFTS/MS study.

PubMed

Engeldinger, Jana; Richter, Manfred; Bentrup, Ursula

2012-02-21

The simultaneous combination of steady state isotopic transient kinetic analysis (SSITKA) with diffuse reflectance Fourier transform spectroscopy (DRIFTS) and mass spectrometric (MS) analysis was applied to study the oxidative carbonylation of methanol (MeOH) to dimethyl carbonate (DMC) on a CuY zeolite catalyst prepared by incipient-wetness impregnation of commercial zeolite NH(4)-Y. The interaction of the catalyst with different reactants and reactant mixtures (O(2), CO, CO/O(2), MeOH/O(2), MeOH/CO, and MeOH/CO/O(2)) was studied in detail using (16)O(2)/(18)O(2) as well as (12)CO/(13)CO containing gas mixtures. DMC is produced via a monodentate monomethyl carbonate (MMC) species as intermediate which is formed by the concerted action of adsorbed methoxide and CO with gas phase MeOH. Adsorbed bidentate MMC species were found to be inactive. Lattice oxygen supplied by CuO(x) species is involved in the formation of MMC. Gas phase oxygen is needed to re-oxidize the catalyst but favours also the oxidation of CO to CO(2) and unselective oxidation reactions of MeOH to methyl formate, dimethoxymethane, and CO(2). The appropriate choice of reaction temperature and of the oxygen content in the reactant gas mixture was found to be indispensable for reaching high DMC selectivities.

Pure visual imagery as a potential approach to achieve three classes of control for implementation of BCI in non-motor disorders

NASA Astrophysics Data System (ADS)

Sousa, Teresa; Amaral, Carlos; Andrade, João; Pires, Gabriel; Nunes, Urbano J.; Castelo-Branco, Miguel

2017-08-01

Objective. The achievement of multiple instances of control with the same type of mental strategy represents a way to improve flexibility of brain-computer interface (BCI) systems. Here we test the hypothesis that pure visual motion imagery of an external actuator can be used as a tool to achieve three classes of electroencephalographic (EEG) based control, which might be useful in attention disorders. Approach. We hypothesize that different numbers of imagined motion alternations lead to distinctive signals, as predicted by distinct motion patterns. Accordingly, a distinct number of alternating sensory/perceptual signals would lead to distinct neural responses as previously demonstrated using functional magnetic resonance imaging (fMRI). We anticipate that differential modulations should also be observed in the EEG domain. EEG recordings were obtained from twelve participants using three imagery tasks: imagery of a static dot, imagery of a dot with two opposing motions in the vertical axis (two motion directions) and imagery of a dot with four opposing motions in vertical or horizontal axes (four directions). The data were analysed offline. Main results. An increase of alpha-band power was found in frontal and central channels as a result of visual motion imagery tasks when compared with static dot imagery, in contrast with the expected posterior alpha decreases found during simple visual stimulation. The successful classification and discrimination between the three imagery tasks confirmed that three different classes of control based on visual motion imagery can be achieved. The classification approach was based on a support vector machine (SVM) and on the alpha-band relative spectral power of a small group of six frontal and central channels. Patterns of alpha activity, as captured by single-trial SVM closely reflected imagery properties, in particular the number of imagined motion alternations. Significance. We found a new mental task based on visual motion imagery with potential for the implementation of multiclass (3) BCIs. Our results are consistent with the notion that frontal alpha synchronization is related with high internal processing demands, changing with the number of alternation levels during imagery. Together, these findings suggest the feasibility of pure visual motion imagery tasks as a strategy to achieve multiclass control systems with potential for BCI and in particular, neurofeedback applications in non-motor (attentional) disorders.

Applying Quantum Monte Carlo to the Electronic Structure Problem

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2016-06-01

Two distinct types of Quantum Monte Carlo (QMC) calculations are applied to electronic structure problems such as calculating potential energy curves and producing benchmark values for reaction barriers. First, Variational and Diffusion Monte Carlo (VMC and DMC) methods using a trial wavefunction subject to the fixed node approximation were tested using the CASINO code.[1] Next, Full Configuration Interaction Quantum Monte Carlo (FCIQMC), along with its initiator extension (i-FCIQMC) were tested using the NECI code.[2] FCIQMC seeks the FCI energy for a specific basis set. At a reduced cost, the efficient i-FCIQMC method can be applied to systems in which the standard FCIQMC approach proves to be too costly. Since all of these methods are statistical approaches, uncertainties (error-bars) are introduced for each calculated energy. This study tests the performance of the methods relative to traditional quantum chemistry for some benchmark systems. References: [1] R. J. Needs et al., J. Phys.: Condensed Matter 22, 023201 (2010). [2] G. H. Booth et al., J. Chem. Phys. 131, 054106 (2009).

The IRIS Data Management Center: Enabling Access to Observational Time Series Spanning Decades

NASA Astrophysics Data System (ADS)

Ahern, T.; Benson, R.; Trabant, C.

2009-04-01

The Incorporated Research Institutions for Seismology (IRIS) is funded by the National Science Foundation (NSF) to operate the facilities to generate, archive, and distribute seismological data to research communities in the United States and internationally. The IRIS Data Management System (DMS) is responsible for the ingestion, archiving, curation and distribution of these data. The IRIS Data Management Center (DMC) manages data from more than 100 permanent seismic networks, hundreds of temporary seismic deployments as well as data from other geophysical observing networks such as magnetotelluric sensors, ocean bottom sensors, superconducting gravimeters, strainmeters, surface meteorological measurements, and in-situ atmospheric pressure measurements. The IRIS DMC has data from more than 20 different types of sensors. The IRIS DMC manages approximately 100 terabytes of primary observational data. These data are archived in multiple distributed storage systems that insure data availability independent of any single catastrophic failure. Storage systems include both RAID systems of greater than 100 terabytes as well as robotic tape robots of petabyte capacity. IRIS performs routine transcription of the data to new media and storage systems to insure the long-term viability of the scientific data. IRIS adheres to the OAIS Data Preservation Model in most cases. The IRIS data model requires the availability of metadata describing the characteristics and geographic location of sensors before data can be fully archived. IRIS works with the International Federation of Digital Seismographic Networks (FDSN) in the definition and evolution of the metadata. The metadata insures that the data remain useful to both current and future generations of earth scientists. Curation of the metadata and time series is one of the most important activities at the IRIS DMC. Data analysts and an automated quality assurance system monitor the quality of the incoming data. This insures data are of acceptably high quality. The formats and data structures used by the seismological community are esoteric. IRIS and its FDSN partners are developing web services that can transform the data holdings to structures that are more easily used by broader scientific communities. For instance, atmospheric scientists are interested in using global observations of microbarograph data but that community does not understand the methods of applying instrument corrections to the observations. Web processing services under development at IRIS will transform these data in a manner that allows direct use within such analysis tools as MATLAB® already in use by that community. By continuing to develop web-service based methods of data discovery and access, IRIS is enabling broader access to its data holdings. We currently support data discovery using many of the Open Geospatial Consortium (OGC) web mapping services. We are involved in portal technologies to support data discovery and distribution for all data from the EarthScope project. We are working with computer scientists at several universities including the University of Washington as part of a DataNet proposal and we intend to enhance metadata, further develop ontologies, develop a Registry Service to aid in the discovery of data sets and services, and in general improve the semantic interoperability of the data managed at the IRIS DMC. Finally IRIS has been identified as one of four scientific organizations that the External Research Division of Microsoft wants to work with in the development of web services and specifically with the development of a scientific workflow engine. More specific details of current and future developments at the IRIS DMC will be included in this presentation.

Brief communication: economic comparison of opportunistic infection management with antiretroviral treatment in people living with HIV/AIDS presenting at an NGO clinic in Bangalore, India.

PubMed

John, K R; Rajagopalan, Nirmala; Madhuri, K V

2006-11-01

Highly active antiretroviral treatment (HAART) usage in India is escalating. With the government of India launching the free HAART rollout as part of the "3 by 5" initiative, many people living with HIV/AIDS (PLHA) have been able to gain access to HAART medications. Currently, the national HAART centers are located in a few district hospitals (in the high- and medium-prevalence states) and have very stringent criteria for enrolling PLHA. Patients who do not fit these criteria or patients who are too ill to undergo the prolonged wait at the government hospitals avail themselves of nongovernment organization (NGO) services in order to take HAART medications. In addition, the government program has not yet started providing second-line HAART (protease inhibitors). Hence, even with the free HAART rollout, NGOs with the expertise to provide HAART continue to look for funding opportunities and other innovative ways of making HAART available to PLHA. Currently, no study from Indian NGOs has compared the direct and indirect costs of solely managing opportunistic infections (OIs) vs HAART. Compare direct medical costs (DMC) and nonmedical costs (NMC) with 2005 values accrued by the NGO and PLHA, respectively, for either HAART or exclusive OI management. Retrospective case study comparison. Low-cost community care and support center--Freedom Foundation (NGO, Bangalore, south India). Retrospective analysis data on PLHA accessing treatment at Freedom Foundation between January 1, 2003 and January 1, 2005. The HAART arm included case records of PLHA who initiated HAART at the center, had frequent follow-up, and were between 18 and 55 years of age. The OI arm included records of PLHA who were also frequently followed up, who were in the same age range, who had CD4+ cell counts < 200/microliter (mcL) or an AIDS-defining illness, and who were not on HAART (solely for socioeconomic reasons). A total of 50 records were analyzed. Expenditures on medication, hospitalization, diagnostics, and NMC (such as food and travel for a caregiver) were calculated for each group. At 2005 costs, the median DMC plus NMC in the OI group was 21,335 Indian rupees (Rs) (mean Rs 24,277/-) per patient per year (pppy) (US $474). In the HAART group, the median DMC plus NMC was Rs 18,976/- (mean Rs 21,416/-) pppy (US $421). Median DMC plus NMC pppy in the OI arm was Rs 13623.7/- paid by NGO and Rs 1155/- paid by PLHA. Median DMC and NMC pppy in the HAART arm were Rs 1425/- paid by NGO and Rs 17,606/- paid by PLHA. Good health at no increased expenditure justifies providing PLHA with HAART even in NGO settings.

The GEON Integrated Data Viewer (IDV) and IRIS DMC Services Illustrate CyberInfrastructure Support for Seismic Data Visualization and Interpretation

NASA Astrophysics Data System (ADS)

Meertens, C.; Wier, S.; Ahern, T.; Casey, R.; Weertman, B.; Laughbon, C.

2008-12-01

UNAVCO and the IRIS DMC are data service partners for seismic visualization, particularly for hypocentral data and tomography. UNAVCO provides the GEON Integrated Data Viewer (IDV), an extension of the Unidata IDV, a free, interactive, research-level, software display and analysis tool for data in 3D (latitude, longitude, depth) and 4D (with time), located on or inside the Earth. The GEON IDV is designed to meet the challenge of investigating complex, multi-variate, time-varying, three- dimensional geoscience data in the context of new remote and shared data sources. The GEON IDV supports data access from data sources using HTTP and FTP servers, OPeNDAP servers, THREDDS catalogs, RSS feeds, and WMS (web map) servers. The IRIS DMC (Data Management System) has developed web services providing data for earthquake hypocentral data and seismic tomography model grids. These services can be called by the GEON IDV to access data at IRIS without copying files. The IRIS Earthquake Browser (IEB) is a web-based query tool for hypocentral data. The IEB combines the DMC's large database of more than 1,900,000 earthquakes with the Google Maps web interface. With the IEB you can quickly find earthquakes in any region of the globe and then import this information into the GEON Integrated Data Viewer where the hypocenters may be visualized. You can select earthquakes by location region, time, depth, and magnitude. The IEB gives the IDV a URL to the selected data. The IDV then shows the data as maps or 3D displays, with interactive control of vertical scale, area, map projection, with symbol size and color control by magnitude or depth. The IDV can show progressive time animation of, for example, aftershocks filling a source region. The IRIS Tomoserver converts seismic tomography model output grids to NetCDF for use in the IDV. The Tomoserver accepts a tomographic model file as input from a user and provides an equivalent NetCDF file as output. The service supports NA04, S3D, A1D and CUB input file formats, contributed by their respective creators. The NetCDF file is saved to a location that can be referenced with a URL on an IRIS server. The URL for the NetCDF file is provided to the user. The user can download the data from IRIS, or copy the URL into IDV directly for interpretation, and the IDV will access the data at IRIS. The Tomoserver conversion software was developed by Instrumental Software Technologies, Inc. Use cases with the GEON IDV and IRIS DMC data services will be shown.

The use of EEG to measure cerebral changes during computer-based motion-sickness-inducing tasks

NASA Astrophysics Data System (ADS)

Strychacz, Christopher; Viirre, Erik; Wing, Shawn

2005-05-01

Motion sickness (MS) is a stressor commonly attributed with causing serious navigational and performance errors. The distinct nature of MS suggests this state may have distinct neural markers distinguishable from other states known to affect performance (e.g., stress, fatigue, sleep deprivation, high workload). This pilot study used new high-resolution electro-encephalograph (EEG) technologies to identify distinct neuronal activation changes that occur during MS. Brain EEG activity was monitored while subjects performed a ball-tracking task and viewed stimuli on a projection screen intended to induce motion sickness/spatial disorientation. Results show the presence of EEG spectral changes in all subjects who developed motion sickness when compared to baseline levels. These changes included: 1) low frequency (1 to 10 Hz) changes that may reflect oculomotor movements rather than intra-cerebral sources; 2) increased spectral power across all frequencies (attributable to increased scalp conductivity related to sweating), 3) local increases of power spectra in the 20-50 Hz range (likely attributable to external muscles on the skull) and; 4) a central posterior (occipital) independent component that shows suppression of a 20 Hz peak in the MS condition when compared to baseline. Further research is necessary to refine neural markers, characterize their origin and physiology, to distinguish between motion sickness and other states and to enable markers to be used for operator state monitoring and the designing of interventions for motion sickness.

Sigmund Exner's (1887) Einige Beobachtungen über Bewegungsnachbilder (Some Observations on Movement Aftereffects): An Illustrated Translation With Commentary.

PubMed

Verstraten, Frans A J; Niehorster, Diederick C; van de Grind, Wim A; Wade, Nicholas J

2015-10-01

In his original contribution, Exner's principal concern was a comparison between the properties of different aftereffects, and particularly to determine whether aftereffects of motion were similar to those of color and whether they could be encompassed within a unified physiological framework. Despite the fact that he was unable to answer his main question, there are some excellent-so far unknown-contributions in Exner's paper. For example, he describes observations that can be related to binocular interaction, not only in motion aftereffects but also in rivalry. To the best of our knowledge, Exner provides the first description of binocular rivalry induced by differently moving patterns in each eye, for motion as well as for their aftereffects. Moreover, apart from several known, but beautifully addressed, phenomena he makes a clear distinction between motion in depth based on stimulus properties and motion in depth based on the interpretation of motion. That is, the experience of movement, as distinct from the perception of movement. The experience, unlike the perception, did not result in a motion aftereffect in depth.

Sigmund Exner’s (1887) Einige Beobachtungen über Bewegungsnachbilder (Some Observations on Movement Aftereffects): An Illustrated Translation With Commentary

PubMed Central

Niehorster, Diederick C.; van de Grind, Wim A.; Wade, Nicholas J.

2015-01-01

In his original contribution, Exner’s principal concern was a comparison between the properties of different aftereffects, and particularly to determine whether aftereffects of motion were similar to those of color and whether they could be encompassed within a unified physiological framework. Despite the fact that he was unable to answer his main question, there are some excellent—so far unknown—contributions in Exner’s paper. For example, he describes observations that can be related to binocular interaction, not only in motion aftereffects but also in rivalry. To the best of our knowledge, Exner provides the first description of binocular rivalry induced by differently moving patterns in each eye, for motion as well as for their aftereffects. Moreover, apart from several known, but beautifully addressed, phenomena he makes a clear distinction between motion in depth based on stimulus properties and motion in depth based on the interpretation of motion. That is, the experience of movement, as distinct from the perception of movement. The experience, unlike the perception, did not result in a motion aftereffect in depth. PMID:27648213

Can cemented dual-mobility cups be used without a reinforcement device in cases of mild acetabular bone stock alteration in total hip arthroplasty?

PubMed

Haen, T X; Lonjon, G; Vandenbussche, E

2015-12-01

Cemented versions of dual-mobility cups (DMCs), helpful in cases of bone stock alteration, are usually used in association with a reinforcement device. To simplify the intervention in elderly subjects or those with a poor bone stock, the cups can be cemented directly into the bone, but the long-term result remains uncertain. We conducted a retrospective study in this population so as to: (1) assess whether cemented fixation of a DMC without a reinforcement device leads to a higher loosening rate, (2) confirm its efficacy in preventing dislocations in subjects at high risk of instability, and (3) measure the functional results. Cemented fixation of a DMC is reliable in cases of moderate alteration of bone stock. Sixty-four patients (66 hips) undergoing implantation of a cemented DMC (Saturne™) without a reinforcement device were included in this single-center retrospective study. Their mean age was 79.8 years (range, 40-95 years). The indications varied: hip osteoarthritis (30.3%), prosthesis revision (44.0%), and trauma (25.8%). The patients were evaluated radiologically and clinically at follow-up. The main evaluation criterion was the revision rate for aseptic loosening. Dislocations, the infection rate, and the Postel Merle d'Aubigné (PMA) score were noted. At the mean follow-up of 4.2 years, three (4.6%) patients had been lost to follow-up and 22 (33.3%) had died. There was one case of aseptic loosening (1.5%). Cup survival was 98% at 5 years (95%CI [94-100]). There were no dislocations. There was one revision for infection. The mean PMA score was 15.5 (range, 9-18). The frequency of acetabular loosening was comparable to the frequency in cemented DMCs with a reinforcement device. A cemented DMC without a reinforcement device is possible and is a simple and viable option when there is moderate bone stock alteration. IV, retrospective cohort study. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

The equations of motion for moist atmospheric air

NASA Astrophysics Data System (ADS)

Makarieva, Anastassia M.; Gorshkov, Victor G.; Nefiodov, Andrei V.; Sheil, Douglas; Nobre, Antonio Donato; Bunyard, Peter; Nobre, Paulo; Li, Bai-Lian

2017-07-01

How phase transitions affect the motion of moist atmospheric air remains controversial. In the early 2000s two distinct differential equations of motion were proposed. Besides their contrasting formulations for the acceleration of condensate, the equations differ concerning the presence/absence of a term equal to the rate of phase transitions multiplied by the difference in velocity between condensate and air. This term was interpreted in the literature as the "reactive motion" associated with condensation. The reasoning behind this reactive motion was that when water vapor condenses and droplets begin to fall the remaining gas must move upward to conserve momentum. Here we show that the two contrasting formulations imply distinct assumptions about how gaseous air and condensate particles interact. We show that these assumptions cannot be simultaneously applicable to condensation and evaporation. Reactive motion leading to an upward acceleration of air during condensation does not exist. The reactive motion term can be justified for evaporation only; it describes the downward acceleration of air. We emphasize the difference between the equations of motion (i.e., equations constraining velocity) and those constraining momentum (i.e., equations of motion and continuity combined). We show that owing to the imprecise nature of the continuity equations, consideration of total momentum can be misleading and that this led to the reactive motion controversy. Finally, we provide a revised and generally applicable equation for the motion of moist air.

Distinct fMRI Responses to Self-Induced versus Stimulus Motion during Free Viewing in the Macaque

PubMed Central

Kaneko, Takaaki; Saleem, Kadharbatcha S.; Berman, Rebecca A.; Leopold, David A.

2016-01-01

Visual motion responses in the brain are shaped by two distinct sources: the physical movement of objects in the environment and motion resulting from one's own actions. The latter source, termed visual reafference, stems from movements of the head and body, and in primates from the frequent saccadic eye movements that mark natural vision. To study the relative contribution of reafferent and stimulus motion during natural vision, we measured fMRI activity in the brains of two macaques as they freely viewed >50 hours of naturalistic video footage depicting dynamic social interactions. We used eye movements obtained during scanning to estimate the level of reafferent retinal motion at each moment in time. We also estimated the net stimulus motion by analyzing the video content during the same time periods. Mapping the responses to these distinct sources of retinal motion, we found a striking dissociation in the distribution of visual responses throughout the brain. Reafferent motion drove fMRI activity in the early retinotopic areas V1, V2, V3, and V4, particularly in their central visual field representations, as well as lateral aspects of the caudal inferotemporal cortex (area TEO). However, stimulus motion dominated fMRI responses in the superior temporal sulcus, including areas MT, MST, and FST as well as more rostral areas. We discuss this pronounced separation of motion processing in the context of natural vision, saccadic suppression, and the brain's utilization of corollary discharge signals. SIGNIFICANCE STATEMENT Visual motion arises not only from events in the external world, but also from the movements of the observer. For example, even if objects are stationary in the world, the act of walking through a room or shifting one's eyes causes motion on the retina. This “reafferent” motion propagates into the brain as signals that must be interpreted in the context of real object motion. The delineation of whole-brain responses to stimulus versus self-generated retinal motion signals is critical for understanding visual perception and is of pragmatic importance given the increasing use of naturalistic viewing paradigms. The present study uses fMRI to demonstrate that the brain exhibits a fundamentally different pattern of responses to these two sources of retinal motion. PMID:27629710

Distinct fMRI Responses to Self-Induced versus Stimulus Motion during Free Viewing in the Macaque.

PubMed

Russ, Brian E; Kaneko, Takaaki; Saleem, Kadharbatcha S; Berman, Rebecca A; Leopold, David A

2016-09-14

Visual motion responses in the brain are shaped by two distinct sources: the physical movement of objects in the environment and motion resulting from one's own actions. The latter source, termed visual reafference, stems from movements of the head and body, and in primates from the frequent saccadic eye movements that mark natural vision. To study the relative contribution of reafferent and stimulus motion during natural vision, we measured fMRI activity in the brains of two macaques as they freely viewed >50 hours of naturalistic video footage depicting dynamic social interactions. We used eye movements obtained during scanning to estimate the level of reafferent retinal motion at each moment in time. We also estimated the net stimulus motion by analyzing the video content during the same time periods. Mapping the responses to these distinct sources of retinal motion, we found a striking dissociation in the distribution of visual responses throughout the brain. Reafferent motion drove fMRI activity in the early retinotopic areas V1, V2, V3, and V4, particularly in their central visual field representations, as well as lateral aspects of the caudal inferotemporal cortex (area TEO). However, stimulus motion dominated fMRI responses in the superior temporal sulcus, including areas MT, MST, and FST as well as more rostral areas. We discuss this pronounced separation of motion processing in the context of natural vision, saccadic suppression, and the brain's utilization of corollary discharge signals. Visual motion arises not only from events in the external world, but also from the movements of the observer. For example, even if objects are stationary in the world, the act of walking through a room or shifting one's eyes causes motion on the retina. This "reafferent" motion propagates into the brain as signals that must be interpreted in the context of real object motion. The delineation of whole-brain responses to stimulus versus self-generated retinal motion signals is critical for understanding visual perception and is of pragmatic importance given the increasing use of naturalistic viewing paradigms. The present study uses fMRI to demonstrate that the brain exhibits a fundamentally different pattern of responses to these two sources of retinal motion. Copyright © 2016 the authors 0270-6474/16/369580-10$15.00/0.

Developments in Seismic Data Quality Assessment Using MUSTANG at the IRIS DMC

NASA Astrophysics Data System (ADS)

Sharer, G.; Keyson, L.; Templeton, M. E.; Weertman, B.; Smith, K.; Sweet, J. R.; Tape, C.; Casey, R. E.; Ahern, T.

2017-12-01

MUSTANG is the automated data quality metrics system at the IRIS Data Management Center (DMC), designed to help characterize data and metadata "goodness" across the IRIS data archive, which holds 450 TB of seismic and related earth science data spanning the past 40 years. It calculates 46 metrics ranging from sample statistics and miniSEED state-of-health flag counts to Power Spectral Densities (PSDs) and Probability Density Functions (PDFs). These quality measurements are easily and efficiently accessible to users through the use of web services, which allows users to make requests not only by station and time period but also to filter the results according to metric values that match a user's data requirements. Results are returned in a variety of formats, including XML, JSON, CSV, and text. In the case of PSDs and PDFs, results can also be retrieved as plot images. In addition, there are several user-friendly client tools available for exploring and visualizing MUSTANG metrics: LASSO, MUSTANG Databrowser, and MUSTANGular. Over the past year we have made significant improvements to MUSTANG. We have nearly complete coverage over our archive for broadband channels with sample rates of 20-200 sps. With this milestone achieved, we are now expanding to include higher sample rate, short-period, and strong-motion channels. Data availability metrics will soon be calculated when a request is made which guarantees that the information reflects the current state of the archive and also allows for more flexibility in content. For example, MUSTANG will be able to return a count of gaps for any arbitrary time period instead of being limited to 24 hour spans. We are also promoting the use of data quality metrics beyond the IRIS archive through our recent release of ISPAQ, a Python command-line application that calculates MUSTANG-style metrics for users' local miniSEED files or for any miniSEED data accessible through FDSN-compliant web services. Finally, we will explore how researchers are using MUSTANG in real-world situations to select data, improve station data quality, anticipate station outages and servicing, and characterize site noise and environmental conditions.

Simulating Biological and Non-Biological Motion

ERIC Educational Resources Information Center

Bruzzo, Angela; Gesierich, Benno; Wohlschlager, Andreas

2008-01-01

It is widely accepted that the brain processes biological and non-biological movements in distinct neural circuits. Biological motion, in contrast to non-biological motion, refers to active movements of living beings. Aim of our experiment was to investigate the mechanisms underlying mental simulation of these two movement types. Subjects had to…

Two Distinct Mechanisms Govern RpoS-Mediated Repression of Tick-Phase Genes during Mammalian Host Adaptation by Borrelia burgdorferi, the Lyme Disease Spirochete.

PubMed

Grove, Arianna P; Liveris, Dionysios; Iyer, Radha; Petzke, Mary; Rudman, Joseph; Caimano, Melissa J; Radolf, Justin D; Schwartz, Ira

2017-08-22

The alternative sigma factor RpoS plays a key role modulating gene expression in Borrelia burgdorferi , the Lyme disease spirochete, by transcribing mammalian host-phase genes and repressing σ 70 -dependent genes required within the arthropod vector. To identify cis regulatory elements involved in RpoS-dependent repression, we analyzed green fluorescent protein (GFP) transcriptional reporters containing portions of the upstream regions of the prototypical tick-phase genes ospAB , the glp operon, and bba74 As RpoS-mediated repression occurs only following mammalian host adaptation, strains containing the reporters were grown in dialysis membrane chambers (DMCs) implanted into the peritoneal cavities of rats. Wild-type spirochetes harboring ospAB - and glp-gfp constructs containing only the minimal (-35/-10) σ 70 promoter elements had significantly lower expression in DMCs relative to growth in vitro at 37°C; no reduction in expression occurred in a DMC-cultivated RpoS mutant harboring these constructs. In contrast, RpoS-mediated repression of bba74 required a stretch of DNA located between -165 and -82 relative to its transcriptional start site. Electrophoretic mobility shift assays employing extracts of DMC-cultivated B. burgdorferi produced a gel shift, whereas extracts from RpoS mutant spirochetes did not. Collectively, these data demonstrate that RpoS-mediated repression of tick-phase borrelial genes occurs by at least two distinct mechanisms. One (e.g., ospAB and the glp operon) involves primarily sequence elements near the core promoter, while the other (e.g., bba74 ) involves an RpoS-induced transacting repressor. Our results provide a genetic framework for further dissection of the essential "gatekeeper" role of RpoS throughout the B. burgdorferi enzootic cycle. IMPORTANCE Borrelia burgdorferi , the Lyme disease spirochete, modulates gene expression to adapt to the distinctive environments of its mammalian host and arthropod vector during its enzootic cycle. The alternative sigma factor RpoS has been referred to as a "gatekeeper" due to its central role in regulating the reciprocal expression of mammalian host- and tick-phase genes. While RpoS-dependent transcription has been studied extensively, little is known regarding the mechanism(s) of RpoS-mediated repression. We employed a combination of green fluorescent protein transcriptional reporters along with an in vivo model to define cis regulatory sequences responsible for RpoS-mediated repression of prototypical tick-phase genes. Repression of ospAB and the glp operon requires only sequences near their core promoters, whereas modulation of bba74 expression involves a putative RpoS-dependent repressor that binds upstream of the core promoter. Thus, Lyme disease spirochetes employ at least two different RpoS-dependent mechanisms to repress tick-phase genes within the mammal. Copyright © 2017 Grove et al.

Temperature control in a solar collector field using Filtered Dynamic Matrix Control.

PubMed

Lima, Daniel Martins; Normey-Rico, Julio Elias; Santos, Tito Luís Maia

2016-05-01

This paper presents the output temperature control of a solar collector field of a desalinization plant using the Filtered Dynamic Matrix Control (FDMC). The FDMC is a modified controller based on the Dynamic Matrix Control (DMC), a predictive control strategy widely used in industry. In the FDMC, a filter is used in the prediction error, which allows the modification of the robustness and disturbance rejection characteristics of the original algorithm. The implementation and tuning of the FDMC are simple and maintain the advantages of DMC. Several simulation results using a validated model of the solar plant are presented considering different scenarios. The results are also compared to nonlinear control techniques, showing that FDMC, if properly tuned, can yield similar results to more complex control algorithms. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Direct Synthesis of Dimethyl Carbonate from Carbon Dioxide and Methanol at Room Temperature Using Imidazolium Hydrogen Carbonate Ionic Liquid as a Recyclable Catalyst and Dehydrant.

PubMed

Zhao, Tianxiang; Hu, Xingbang; Wu, Dongsheng; Li, Rui; Yang, Guoqiang; Wu, Youting

2017-05-09

The direct synthesis of dimethyl carbonate (DMC) from CO 2 and CH 3 OH was achieved at room temperature with 74 % CH 3 OH conversion in the presence of an imidazolium hydrogen carbonate ionic liquid ([C n C m Im][HCO 3 ]). Experimental and theoretical results reveal that [C n C m Im][HCO 3 ] can transform quickly into a CO 2 adduct, which serves as an effective catalyst and dehydrant. Its dehydration ability is reversible. The energy barrier of the rate-determining step for the DMC synthesis is only 21.7 kcal mol -1 . The ionic liquid can be reused easily without a significant loss of its catalytic and dehydrating ability. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Helical filaments of human Dmc1 protein on single-stranded DNA: a cautionary tale.

PubMed

Yu, Xiong; Egelman, Edward H

2010-08-20

Proteins in the RecA/Rad51/RadA family form nucleoprotein filaments on DNA that catalyze a strand exchange reaction as part of homologous genetic recombination. Because of the centrality of this system to many aspects of DNA repair, the generation of genetic diversity, and cancer when this system fails or is not properly regulated, these filaments have been the object of many biochemical and biophysical studies. A recent paper has argued that the human Dmc1 protein, a meiotic homolog of bacterial RecA and human Rad51, forms filaments on single-stranded DNA with approximately 9 subunits per turn in contrast to the filaments formed on double-stranded DNA with approximately 6.4 subunits per turn and that the stoichiometry of DNA binding is different between these two filaments. We show using scanning transmission electron microscopy that the Dmc1 filament formed on single-stranded DNA has a mass per unit length expected from approximately 6.5 subunits per turn. More generally, we show how ambiguities in helical symmetry determination can generate incorrect solutions and why one sometimes must use other techniques, such as biochemistry, metal shadowing, or scanning transmission electron microscopy, to resolve these ambiguities. While three-dimensional reconstruction of helical filaments from EM images is a powerful tool, the intrinsic ambiguities that may be present with limited resolution are not sufficiently appreciated. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

A distributed monitoring system for photovoltaic arrays based on a two-level wireless sensor network

NASA Astrophysics Data System (ADS)

Su, F. P.; Chen, Z. C.; Zhou, H. F.; Wu, L. J.; Lin, P. J.; Cheng, S. Y.; Li, Y. F.

2017-11-01

In this paper, a distributed on-line monitoring system based on a two-level wireless sensor network (WSN) is proposed for real time status monitoring of photovoltaic (PV) arrays to support the fine management and maintenance of PV power plants. The system includes the sensing nodes installed on PV modules (PVM), sensing and routing nodes installed on combiner boxes of PV sub-arrays (PVA), a sink node and a data management centre (DMC) running on a host computer. The first level WSN is implemented by the low-cost wireless transceiver nRF24L01, and it is used to achieve single hop communication between the PVM nodes and their corresponding PVA nodes. The second level WSN is realized by the CC2530 based ZigBee network for multi-hop communication among PVA nodes and the sink node. The PVM nodes are used to monitor the PVM working voltage and backplane temperature, and they send the acquired data to their PVA node via the nRF24L01 based first level WSN. The PVA nodes are used to monitor the array voltage, PV string current and environment irradiance, and they send the acquired and received data to the DMC via the ZigBee based second level WSN. The DMC is designed using the MATLAB GUIDE and MySQL database. Laboratory experiment results show that the system can effectively acquire, display, store and manage the operating and environment parameters of PVA in real time.

Behavioural evidence for distinct mechanisms related to global and biological motion perception.

PubMed

Miller, Louisa; Agnew, Hannah C; Pilz, Karin S

2018-01-01

The perception of human motion is a vital ability in our daily lives. Human movement recognition is often studied using point-light stimuli in which dots represent the joints of a moving person. Depending on task and stimulus, the local motion of the single dots, and the global form of the stimulus can be used to discriminate point-light stimuli. Previous studies often measured motion coherence for global motion perception and contrasted it with performance in biological motion perception to assess whether difficulties in biological motion processing are related to more general difficulties with motion processing. However, it is so far unknown as to how performance in global motion tasks relates to the ability to use local motion or global form to discriminate point-light stimuli. Here, we investigated this relationship in more detail. In Experiment 1, we measured participants' ability to discriminate the facing direction of point-light stimuli that contained primarily local motion, global form, or both. In Experiment 2, we embedded point-light stimuli in noise to assess whether previously found relationships in task performance are related to the ability to detect signal in noise. In both experiments, we also assessed motion coherence thresholds from random-dot kinematograms. We found relationships between performances for the different biological motion stimuli, but performance for global and biological motion perception was unrelated. These results are in accordance with previous neuroimaging studies that highlighted distinct areas for global and biological motion perception in the dorsal pathway, and indicate that results regarding the relationship between global motion perception and biological motion perception need to be interpreted with caution. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Data Management Coordinators (DMC)

EPA Pesticide Factsheets

The Regional Data Management Coordinators (DMCs) were identified to serve as the primary contact for each region for all Water Quality Framework activities. They will facilitate and communicate information to the necessary individuals at the region and tra

Real-time operation of the NSF EarthScope USArray Transportable Array

NASA Astrophysics Data System (ADS)

Astiz, L.; Eakins, J. A.; Vernon, F. L.; Martynov, V.; Newman, R. L.; Cox, T. A.; Mulder, T. L.; Busby, R. W.

2007-05-01

The Transportable Array (TA) component of USArray uses real-time telemetry to send data to the Array Network Facility (ANF) through a variety of satellite, mobile phone, wireless and wired communication links. The ANF is responsible for the timely delivery of metadata and waveform data to the IRIS DMC from the growing number of Transportable Array stations. The IRIS DMC makes these data available to the research community. The network has increased in size to 327 stations with 259 out of the 400 new TA sites installed (as of 28 February 2007). Starting in Fall 2007, equipment will start to roll from current stations to new locations to the east of the current footprint. Use of the Antelope software package has allowed the ANF to maintain and operate this extremely dynamic network configuration, facilitating the collection and transfer of data, the generation and merging of the metadata as well as the real-time monitoring of state of health of TA station data-loggers and their command and control. Four regional networks (ANZA, BDSN, SCSN, and UNR) as well as the USNSN contribute data to the Transportable Array in real-time. Although the real-time data flow to the IRIS DMC has been 93.4% over the last year, the ANF and the TA field teams have extended every effort and have managed to recover an additional 4.8% by recovering data from the local data storage device (Baler 14) at each station. Once the missing data is recovered, we then generate station-channel-day volume seed files, which are resent to the DMC to bring the total data recovery rate to 98.4%. The total network uptime is above 99%. Analyst review of automatic locations for the USArray network is being done at the ANF as part of the data quality monitoring strategy. All events are associated with the USGS and regional network bulletins. As of February 2007, around 13,000 weekly picks are being fully reviewed by analysts at the ANF and over 19,000 events have been recorded. We find a small percentage (about 10 %) of events that cannot be associated with existing bulletins. This information is used by the regional network operators to help them determine which TA stations may be beneficial to permanently add to their seismic networks. Operation of the USArray at the ANF has benefited by the real-time interface with the ORB and the Datascope database using PHP for display on the ANF website (http:anf.ucsd.edu) to provide station and system state-of- health information to field teams. Information available for all stations includes: location, maps, photographs, equipment deployed, communications, distribution of events recorded by each station, and displays of daily, weekly, and yearly state of health parameters as well as station noise spectra generated by the DMC.

Categorization of compensatory motions in transradial myoelectric prosthesis users.

PubMed

Hussaini, Ali; Zinck, Arthur; Kyberd, Peter

2017-06-01

Prosthesis users perform various compensatory motions to accommodate for the loss of the hand and wrist as well as the reduced functionality of a prosthetic hand. Investigate different compensation strategies that are performed by prosthesis users. Comparative analysis. A total of 20 able-bodied subjects and 4 prosthesis users performed a set of bimanual activities. Movements of the trunk and head were recorded using a motion capture system and a digital video recorder. Clinical motion angles were calculated to assess the compensatory motions made by the prosthesis users. The video recording also assisted in visually identifying the compensations. Compensatory motions by the prosthesis users were evident in the tasks performed (slicing and stirring activities) as compared to the benchmark of able-bodied subjects. Compensations took the form of a measured increase in range of motion, an observed adoption of a new posture during task execution, and prepositioning of items in the workspace prior to initiating a given task. Compensatory motions were performed by prosthesis users during the selected tasks. These can be categorized into three different types of compensations. Clinical relevance Proper identification and classification of compensatory motions performed by prosthesis users into three distinct forms allows clinicians and researchers to accurately identify and quantify movement. It will assist in evaluating new prosthetic interventions by providing distinct terminology that is easily understood and can be shared between research institutions.

People can understand descriptions of motion without activating visual motion brain regions

PubMed Central

Dravida, Swethasri; Saxe, Rebecca; Bedny, Marina

2013-01-01

What is the relationship between our perceptual and linguistic neural representations of the same event? We approached this question by asking whether visual perception of motion and understanding linguistic depictions of motion rely on the same neural architecture. The same group of participants took part in two language tasks and one visual task. In task 1, participants made semantic similarity judgments with high motion (e.g., “to bounce”) and low motion (e.g., “to look”) words. In task 2, participants made plausibility judgments for passages describing movement (“A centaur hurled a spear … ”) or cognitive events (“A gentleman loved cheese …”). Task 3 was a visual motion localizer in which participants viewed animations of point-light walkers, randomly moving dots, and stationary dots changing in luminance. Based on the visual motion localizer we identified classic visual motion areas of the temporal (MT/MST and STS) and parietal cortex (inferior and superior parietal lobules). We find that these visual cortical areas are largely distinct from neural responses to linguistic depictions of motion. Motion words did not activate any part of the visual motion system. Motion passages produced a small response in the right superior parietal lobule, but none of the temporal motion regions. These results suggest that (1) as compared to words, rich language stimuli such as passages are more likely to evoke mental imagery and more likely to affect perceptual circuits and (2) effects of language on the visual system are more likely in secondary perceptual areas as compared to early sensory areas. We conclude that language and visual perception constitute distinct but interacting systems. PMID:24009592

Binding energies from diffusion Monte Carlo for the MB-pol H{sub 2}O and D{sub 2}O dimer: A comparison to experimental values

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mallory, Joel D.; Mandelshtam, Vladimir A.

2015-10-14

The diffusion Monte Carlo (DMC) method is applied to compute the ground state energies of the water monomer and dimer and their D{sub 2}O isotopomers using MB-pol; the most recent and most accurate ab inito-based potential energy surface (PES). MB-pol has already demonstrated excellent agreement with high level electronic structure data, as well as agreement with some experimental, spectroscopic, and thermodynamic data. Here, the DMC binding energies of (H{sub 2}O){sub 2} and (D{sub 2}O){sub 2} agree with the corresponding values obtained from velocity map imaging within, respectively, 0.01 and 0.02 kcal/mol. This work adds two more valuable data points thatmore » highlight the accuracy of the MB-pol PES.« less

Quantum Monte Carlo calculations of NiO

NASA Astrophysics Data System (ADS)

Maezono, Ryo; Towler, Mike D.; Needs, Richard. J.

2008-03-01

We describe variational and diffusion quantum Monte Carlo (VMC and DMC) calculations [1] of NiO using a 1024-electron simulation cell. We have used a smooth, norm-conserving, Dirac-Fock pseudopotential [2] in our work. Our trial wave functions were of Slater-Jastrow form, containing orbitals generated in Gaussian-basis UHF periodic calculations. Jastrow factor is optimized using variance minimization with optimized cutoff lengths using the same scheme as our previous work. [4] We apply the lattice regulated scheme [5] to evaluate non-local pseudopotentials in DMC and find the scheme improves the smoothness of the energy-volume curve. [1] CASINO ver.2.1 User Manual, University of Cambridge (2007). [2] J.R. Trail et.al., J. Chem. Phys. 122, 014112 (2005). [3] CRYSTAL98 User's Manual, University of Torino (1998). [4] Ryo Maezono et.al., Phys. Rev. Lett., 98, 025701 (2007). [5] Michele Casula, Phys. Rev. B 74, 161102R (2006).

Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule

NASA Astrophysics Data System (ADS)

Diniz, Leonardo G.; Kirnosov, Nikita; Alijah, Alexander; Mohallem, José R.; Adamowicz, Ludwik

2016-04-01

A very accurate dipole moment curve (DMC) for the ground X1Σ+ electronic state of the 7LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC - the most accurate to our knowledge - and the corresponding highly accurate potential energy curve are used to calculate the transition energies, the transition dipole moments, and the Einstein coefficients for the rovibrational transitions with ΔJ = - 1 and Δv ⩽ 5 . The importance of the non-adiabatic effects in determining these properties is evaluated using the model of a vibrational R-dependent effective reduced mass in the rovibrational calculations introduced earlier (Diniz et al., 2015). The results of the present calculations are used to assess the quality of the two complete linelists of 7LiH available in the literature.

Overview of a Preliminary Destination Mission Concept for a Human Orbital Mission to the Martial Moons

NASA Technical Reports Server (NTRS)

Mazanek, D. D.; Abell, P. A.; Antol, J.; Barbee, B. W.; Beaty, D. W.; Bass, D. S.; Castillo-Rogez, J. C.; Coan, D. A.; Colaprete, A.; Daugherty, K. J.;

Metal chelate process to remove pollutants from fluids

DOEpatents

Chang, Shih-Ger T.

1994-01-01

The present invention relates to improved methods using an organic iron chelate to remove pollutants from fluids, such as flue gas. Specifically, the present invention relates to a process to remove NO.sub.x and optionally SO.sub.2 from a fluid using a metal ion (Fe.sup.2+) chelate wherein the ligand is a dimercapto compound wherein the --SH groups are attached to adjacent carbon atoms (HS--C--C--SH) or (SH--C--CCSH) and contain a polar functional group so that the ligand of DMC chelate is water soluble. Alternatively, the DMC' is covalently attached to a water insoluble substrate such as a polymer or resin, e.g., polystyrene. The chelate is regenerated using electroreduction or a chemical additive. The dimercapto compound bonded to a water insoluble substrate is also useful to lower the concentration or remove hazardous metal ions from an aqueous solution.

Metal chelate process to remove pollutants from fluids

DOEpatents

Chang, S.G.T.

1994-12-06

The present invention relates to improved methods using an organic iron chelate to remove pollutants from fluids, such as flue gas. Specifically, the present invention relates to a process to remove NO[sub x] and optionally SO[sub 2] from a fluid using a metal ion (Fe[sup 2+]) chelate wherein the ligand is a dimercapto compound wherein the --SH groups are attached to adjacent carbon atoms (HS--C--C--SH) or (SH--C--CCSH) and contain a polar functional group so that the ligand of DMC chelate is water soluble. Alternatively, the DMC is covalently attached to a water insoluble substrate such as a polymer or resin, e.g., polystyrene. The chelate is regenerated using electroreduction or a chemical additive. The dimercapto compound bonded to a water insoluble substrate is also useful to lower the concentration or remove hazardous metal ions from an aqueous solution. 26 figures.

Extended Thomas-Fermi density functional for the unitary Fermi gas

NASA Astrophysics Data System (ADS)

Salasnich, Luca; Toigo, Flavio

2008-11-01

We determine the energy density ξ(3/5)nɛF and the gradient correction λℏ2(∇n)2/(8mn) of the extended Thomas-Fermi (ETF) density functional, where n is the number density and ɛF is the Fermi energy, for a trapped two-component Fermi gas with infinite scattering length (unitary Fermi gas) on the basis of recent diffusion Monte Carlo (DMC) calculations [Phys. Rev. Lett. 99, 233201 (2007)]. In particular we find that ξ=0.455 and λ=0.13 give the best fit of the DMC data with an even number N of particles. We also study the odd-even splitting γN1/9ℏω of the ground-state energy for the unitary gas in a harmonic trap of frequency ω determining the constant γ . Finally we investigate the effect of the gradient term in the time-dependent ETF model by introducing generalized Galilei-invariant hydrodynamics equations.

Effectiveness of Culturally Appropriate Adaptations to Juvenile Justice Services

PubMed Central

Vergara, Andrew T.; Kathuria, Parul; Woodmass, Kyler; Janke, Robert; Wells, Susan J.

2017-01-01

Despite efforts to increase cultural competence of services within juvenile justice systems, disproportional minority contact (DMC) persists throughout Canada and the United States. Commonly cited approaches to decreasing DMC include large-scale systemic changes as well as enhancement of the cultural relevance and responsiveness of services delivered. Cultural adaptations to service delivery focus on prevention, decision-making, and treatment services to reduce initial contact, minimize unnecessary restraint, and reduce recidivism. Though locating rigorous testing of these approaches compared to standard interventions is difficult, this paper identifies and reports on such research. The Cochrane guidelines for systematic literature reviews and meta-analyses served as a foundation for study methodology. Databases such as Legal Periodicals and Books were searched through June 2015. Three studies were sufficiently rigorous to identify the effect of the cultural adaptations, and three studies that are making potentially important contributions to the field were also reviewed. PMID:29468092

Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS.

PubMed

Haghighi Mood, Kaveh; Lüchow, Arne

2017-08-17

Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule. For the first time, quantum Monte Carlo orbital optimization for transition metal compounds is performed. It is demonstrated that energy optimization of the orbitals of a complete active space wave function in the presence of a Jastrow correlation function is required to obtain agreement with the experimental dissociation energy. Furthermore, it is shown that orbital optimization leads to a 5 Δ ground state, in agreement with experiments but in disagreement with other high-level ab initio wave function calculations which all predict a 5 Σ + ground state. The role of the Jastrow factor in DMC calculations with pseudopotentials is investigated. The results suggest that a large Jastrow factor may improve the DMC accuracy substantially at small additional cost.

A Computational Scheme To Evaluate Hamaker Constants of Molecules with Practical Size and Anisotropy.

PubMed

Hongo, Kenta; Maezono, Ryo

2017-11-14

We propose a computational scheme to evaluate Hamaker constants, A, of molecules with practical sizes and anisotropies. Upon the increasing feasibility of diffusion Monte Carlo (DMC) methods to evaluate binding curves for such molecules to extract the constants, we discussed how to treat the averaging over anisotropy and how to correct the bias due to the nonadditivity. We have developed a computational procedure for dealing with the anisotropy and reducing statistical errors and biases in DMC evaluations, based on possible validations on predicted A. We applied the scheme to cyclohexasilane molecule, Si 6 H 12 , used in "printed electronics" fabrications, getting A ≈ 105 ± 2 zJ, being in plausible range supported even by other possible extrapolations. The scheme provided here would open a way to use handy ab initio evaluations to predict wettabilities as in the form of materials informatics over broader molecules.

Diaphragmatic lymphatic vessel behavior during local skeletal muscle contraction.

PubMed

Moriondo, Andrea; Solari, Eleonora; Marcozzi, Cristiana; Negrini, Daniela

2015-02-01

The mechanism through which the stresses developed in the diaphragmatic tissue during skeletal muscle contraction sustain local lymphatic function was studied in 10 deeply anesthetized, tracheotomized adult Wistar rats whose diaphragm was exposed after thoracotomy. To evaluate the direct effect of skeletal muscle contraction on the hydraulic intraluminal lymphatic pressures (Plymph) and lymphatic vessel geometry, the maximal contraction of diaphragmatic fibers adjacent to a lymphatic vessel was elicited by injection of 9.2 nl of 1 M KCl solution among diaphragmatic fibers while Plymph was recorded through micropuncture and vessel geometry via stereomicroscopy video recording. In lymphatics oriented perpendicularly to the longitudinal axis of muscle fibers and located at <300 μm from KCl injection, vessel diameter at maximal skeletal muscle contraction (Dmc) decreased to 61.3 ± 1.4% of the precontraction value [resting diameter (Drest)]; however, if injection was at >900 μm from the vessel, Dmc enlarged to 131.1 ± 2.3% of Drest. In vessels parallel to muscle fibers, Dmc increased to 122.8 ± 2.9% of Drest. During contraction, Plymph decreased as much as 22.5 ± 2.6 cmH2O in all submesothelial superficial vessels, whereas it increased by 10.7 ± 5.1 cmH2O in deeper vessels running perpendicular to contracting muscle fibers. Hence, the three-dimensional arrangement of the diaphragmatic lymphatic network seems to be finalized to efficiently exploit the stresses exerted by muscle fibers during the contracting inspiratory phase to promote lymph formation in superficial submesothelial lymphatics and its further propulsion in deeper intramuscular vessels. Copyright © 2015 the American Physiological Society.

Bleaching and enamel surface interactions resulting from the use of highly-concentrated bleaching gels.

PubMed

Grazioli, Guillermo; Valente, Lisia Lorea; Isolan, Cristina Pereira; Pinheiro, Helena Alves; Duarte, Camila Gonçalves; Münchow, Eliseu Aldrighi

2018-03-01

Tooth bleaching is considered a non-invasive treatment, although the use of highly-concentrated products may provoke increased surface roughness and enamel demineralization, as well as postoperative sensitivity. Thus, the aim of this study was to investigate whether hydrogen peroxide (H 2 O 2 ) concentration would affect tooth bleaching effectiveness and the enamel surface properties. Enamel/dentin bovine specimens (6 × 4 mm) were immersed in coffee solution for 7 days and evaluated with a spectrophotometer (Easyshade; baseline), using the CIEL * a * b * color parameters. Hardness was measured using a hardness tester. The specimens were randomly assigned into four groups: one negative control, in which the specimens were not bleached, but they were irradiated with a laser-light source (Whitening Lase II, DMC Equipments); and three groups using distinct H 2 O 2 concentration, namely LP15% (15% Lase Peroxide Lite), LP25% (25% Lase Peroxide Sensy), and LP35% (35% Lase Peroxide Sensy), all products from DMC. The bleached specimens were also irradiated with the laser-light source. After bleaching, all specimens were evaluated using scanning electron microscopy (SEM). pH kinetics and rate was monitored during bleaching. The data were analyzed using ANOVA and Tukey's test (p < 0.05). All bleaching gels produced similar color change (p > 0.05). Concerning hardness, only the LP25% and LP35% significantly reduced hardness after bleaching; also, there was a progressive tendency for a greater percentage reduction in hardness with increased H 2 O 2 concentration of the gel (R 2  = 0.9973, p < 0.001). SEM showed that LP25% and LP35% produced an etching pattern on enamel with prism rods exposure. In conclusion, H 2 O 2 concentration above the 15% level does not increase bleaching effectiveness, and may increase the possibility for alteration of enamel hardness, surface morphology, and acidity of the medium. When using H 2 O 2 -based bleaching agents, dental practitioners should choose for less concentrated gels, e.g., around the 15% level. Copyright © 2017 Elsevier Ltd. All rights reserved.

Simulating Electrophoresis with Discrete Charge and Drag

NASA Astrophysics Data System (ADS)

Mowitz, Aaron J.; Witten, Thomas A.

A charged asymmetric rigid cluster of colloidal particles in saline solution can respond in exotic ways to an electric field: it may spin or move transversely. These distinctive motions arise from the drag force of the neutralizing countercharge surrounding the cluster. Because of this drag, calculating the motion of arbitrary asymmetric objects with nonuniform charge is impractical by conventional methods. Here we present a new method of simulating electrophoresis, in which we replace the continuous object and the surrounding countercharge with discrete point-draggers, called Stokeslets. The balance of forces imposes a linear, self-consistent relation among the drag and Coulomb forces on the Stokeslets, which allows us to easily determine the object's motion via matrix inversion. By explicitly enforcing charge+countercharge neutrality, the simulation recovers the distinctive features of electrophoretic motion to few-percent accuracy using as few as 1000 Stokeslets. In particular, for uniformly charged objects, we observe the characteristic Smoluchowski independence of mobility on object size and shape. We then discuss electrophoretic motion of asymmetric objects, where our simulation method is particularly advantageous. This work is supported by a Grant from the US-Israel Binational Science Foundation.

Biological Motion Primes the Animate/Inanimate Distinction in Infancy

PubMed Central

Poulin-Dubois, Diane; Crivello, Cristina; Wright, Kristyn

2015-01-01

Given that biological motion is both detected and preferred early in life, we tested the hypothesis that biological motion might be instrumental to infants’ differentiation of animate and inanimate categories. Infants were primed with either point-light displays of realistic biological motion, random motion, or schematic biological motion of an unfamiliar shape. After being habituated to these displays, 12-month-old infants categorized animals and vehicles as well as furniture and vehicles with the sequential touching task. The findings indicated that infants primed with point-light displays of realistic biological motion showed better categorization of animates than those exposed to random or schematic biological motion. These results suggest that human biological motion might be one of the motion cues that provide the building blocks for infants’ concept of animacy. PMID:25659077

Contextual effects on motion perception and smooth pursuit eye movements.

PubMed

Spering, Miriam; Gegenfurtner, Karl R

2008-08-15

Smooth pursuit eye movements are continuous, slow rotations of the eyes that allow us to follow the motion of a visual object of interest. These movements are closely related to sensory inputs from the visual motion processing system. To track a moving object in the natural environment, its motion first has to be segregated from the motion signals provided by surrounding stimuli. Here, we review experiments on the effect of the visual context on motion processing with a focus on the relationship between motion perception and smooth pursuit eye movements. While perception and pursuit are closely linked, we show that they can behave quite distinctly when required by the visual context.

Primordial random motions and angular momenta of galaxies and galaxy clusters.

NASA Technical Reports Server (NTRS)

Silk, J.; Lea, S.

1973-01-01

We study the decay of primordial random motions of galaxies and galaxy clusters in an expanding universe by solving a kinetic equation for the relaxation of differential energy spectra N(E, t). Systematic dissipative energy losses are included, involving gravitational drag by, and accretion of, intergalactic matter, as well as the effect of collisions with other systems. Formal and numerical solutions are described for two distinct modes of galaxy formation in a turbulent medium, corresponding to formation at a distinct epoch and to continuous formation of galaxies. We show that any primordial random motions of galaxies at the present epoch can amount to at most a few km/sec, and that collisions at early epochs can lead to the acquisition of significant amounts of primordial angular momentum.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This program summary describes each of the DOE's Biomass Energy System's projects funded or in existence during fiscal year 1979 and reflects their status as of September 30, 1979. The summary provides an overview of the ongoing research, development, and demonstration efforts of the preceding fiscal year as well. (DMC)

Improved electromechanical master-slave manipulator

NASA Technical Reports Server (NTRS)

Forster, G.; Goertz, R.; Grimson, J.; Mingesz, D.; Potts, C.

1968-01-01

Electric master-slave manipulator uses force multiplication and allows the operator to remotely control the slave arm. Both the master and slave arms execute seven distinct motions by a specially designed force-reflecting servo having a one to one correspondence between the motion at the master and slave.

Biological Implications in Cassava for the Production of Amylose-Free Starch: Impact on Root Yield and Related Traits

PubMed Central

Karlström, Amanda; Calle, Fernando; Salazar, Sandra; Morante, Nelson; Dufour, Dominique; Ceballos, Hernán

2016-01-01

Cassava (Manihot esculenta, Crantz) is an important food security crop, but it is becoming an important raw material for different industrial applications. Cassava is the second most important source of starch worldwide. Novel starch properties are of interest to the starch industry, and one them is the recently identified amylose-free (waxy) cassava starch. Waxy mutants have been found in different crops and have been often associated with a yield penalty. There are ongoing efforts to develop commercial cassava varieties with amylose-free starch. However, little information is available regarding the biological and agronomic implications of starch mutations in cassava, nor in other root and tuber crops. In this study, siblings from eight full-sib families, segregating for the waxy trait, were used to determine if the mutation has implications for yield, dry matter content (DMC) and harvest index in cassava. A total of 87 waxy and 87 wild-type starch genotypes from the eight families were used in the study. The only significant effect of starch type was on DMC (p < 0.01), with waxy clones having a 0.8% lower content than their wild type counterparts. There was no effect of starch type on fresh root yield (FRY), adjusted FRY and harvest index. It is not clear if lower DMC is a pleiotropic effect of the waxy starch mutation or else the result of linked genes introgressed along with the mutation. It is expected that commercial waxy cassava varieties will have competitive FRYs but special efforts will be required to attain adequate DMCs. This study contributes to the limited knowledge available of the impact of starch mutations on the agronomic performance of root and tuber crops. PMID:27242813

Data management of clinical trials during an outbreak of Ebola virus disease.

PubMed

Hossmann, Stefanie; Haynes, Alan G; Spoerri, Adrian; Diatta, Ibrahima Dina; Aboubacar, Barry; Egger, Matthias; Rintelen, Felix; Trelle, Sven

2017-10-23

Clinical trial data management (DM) conducted during outbreaks like that of Ebola virus disease (EVD) in West Africa, 2014-2016, has to adapt to specific, unique circumstances. CTU Bern was asked to set up a safe data capture/management system that could be launched within a few weeks and cover two different vaccine trials. This article describes some of the challenges we faced and our solutions during the two different trials. Setting up a DM system was split into four phases/tasks: (1) quick set-up of the (electronic) data capture system (EDC) and mobile infrastructure in Bern, (2) moving the EDC and infrastructure to Conakry, Guinea and implementation of a local data management centre (DMC), (3) running the DMC, and (4) data cleaning. The DMC had to meet the following criteria: (1) quick implementation, (2) efficient maintenance and handling of data, and (3) procedures to guarantee data quality. The EDC (REDCap) was setup as a local area network. In order to ensure high data quality, double data entry, and then review of inconsistencies and offline plausibility checks were implemented. From the start of CTU Bern's involvement to the productive EDC took 11 weeks. It was necessary to adapt processes for dealing with data continuously throughout the trial conduct phase. The data management team processed 171,794 case report form pages from a total of 14,203 participants in the period between March and December 2015. Data management is a key task supporting trial conduct. For trials in emergency situations, many of our approaches are suitable, but we also provide a list of aspects that might be done differently. Copyright © 2017. Published by Elsevier Ltd.

Use of the Delay-Tolerant Networking Bundle Protocol from Space

NASA Technical Reports Server (NTRS)

Wood, Lloyd; Ivancic, William D.; Eddy, Wesley M.; Stewart, Dave; Northam, James; Jackson, Chris; daSilvaCuriel, Alex

2009-01-01

The Disaster Monitoring Constellation (DMC), constructed by Survey Satellite Technology Ltd (SSTL), is a multisatellite Earth-imaging low-Earth-orbit sensor network where captured image swaths are stored onboard each satellite and later downloaded from the satellite payloads to a ground station. Store-and-forward of images with capture and later download gives each satellite the characteristics of a node in a Delay/Disruption Tolerant Network (DTN). Originally developed for the Interplanetary Internet, DTNs are now under investigation in an Internet Research Task Force (IRTF) DTN research group (RG), which has developed a bundle architecture and protocol. The DMC is currently unique in its adoption of the Internet Protocol (IP) for its imaging payloads and for satellite command and control, based around reuse of commercial networking and link protocols. These satellites use of IP has enabled earlier experiments with the Cisco router in Low Earth Orbit (CLEO) onboard the constellation's UK-DMC satellite. Earth images are downloaded from the satellites using a custom IPbased high-speed transfer protocol developed by SSTL, Saratoga, which tolerates unusual link environments. Saratoga has been documented in the Internet Engineering Task Force (IETF) for wider adoption. We experiment with use of DTNRG bundle concepts onboard the UKDMC satellite, by examining how Saratoga can be used as a DTN convergence layer to carry the DTNRG Bundle Protocol, so that sensor images can be delivered to ground stations and beyond as bundles. This is the first successful use of the DTNRG Bundle Protocol in a space environment. We use our practical experience to examine the strengths and weaknesses of the Bundle Protocol for DTN use, paying attention to fragmentation, custody transfer, and reliability issues.

The CpG island encompassing the promoter and first exon of human DNMT3L gene is a PcG/TrX response element (PRE).

PubMed

Basu, Amitava; Dasari, Vasanthi; Mishra, Rakesh K; Khosla, Sanjeev

2014-01-01

DNMT3L, a member of DNA methyltransferases family, is present only in mammals. As it provides specificity to the action of de novo methyltransferases, DNMT3A and DNMT3B and interacts with histone H3, DNMT3L has been invoked as the molecule that can read the histone code and translate it into DNA methylation. It plays an important role in the initiation of genomic imprints during gametogenesis and in nuclear reprogramming. With important functions attributed to it, it is imperative that the DNMT3L expression is tightly controlled. Previously, we had identified a CpG island within the human DNMT3L promoter and first exon that showed loss of DNA methylation in cancer samples. Here we show that this Differentially Methylated CpG island within DNMT3L (DNMT3L DMC) acts to repress transcription, is a Polycomb/Trithorax Response Element (PRE) and interacts with both PRC1 and PRC2 Polycomb repressive complexes. In addition, it adopts inactive chromatin conformation and is associated with other inactive chromatin-specific proteins like SUV39H1 and HP1. The presence of DNMT3L DMC also influences the adjacent promoter to adopt repressive histone post-translational modifications. Due to its association with multiple layers of repressive epigenetic modifications, we believe that PRE within the DNMT3L DMC is responsible for the tight regulation of DNMT3L expression and the aberrant epigenetic modifications of this region leading to DNMT3L overexpression could be the reason of nuclear programming during carcinogenesis.

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface

NASA Astrophysics Data System (ADS)

Wang, Yimin; Braams, Bastiaan J.; Bowman, Joel M.; Carter, Stuart; Tew, David P.

2008-06-01

Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcal/mol, in excellent agreement with the reported ab initio value. Model one-dimensional and ``exact'' full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased ``fixed-node'' diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm-1 in Cartesian coordinates and 22.6 cm-1 in normal coordinates, with an uncertainty of 2-3 cm-1. This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm-1. The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm-1. These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm-1, and agree well with the experimental values of 21.6 and 2.9 cm-1 for the H and D transfer, respectively.

Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.

PubMed

Wang, Yimin; Braams, Bastiaan J; Bowman, Joel M; Carter, Stuart; Tew, David P

2008-06-14

Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcalmol, in excellent agreement with the reported ab initio value. Model one-dimensional and "exact" full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased "fixed-node" diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm(-1) in Cartesian coordinates and 22.6 cm(-1) in normal coordinates, with an uncertainty of 2-3 cm(-1). This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm(-1). The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm(-1). These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm(-1), and agree well with the experimental values of 21.6 and 2.9 cm(-1) for the H and D transfer, respectively.

Quantifying and managing regional greenhouse gas emissions: waste sector of Daejeon, Korea.

PubMed

Yi, Sora; Yang, Heewon; Lee, Seung Hoon; An, Kyoung-Jin

2014-06-01

A credible accounting of national and regional inventories for the greenhouse gas (GHG) reduction has emerged as one of the most significant current discussions. This article assessed the regional GHG emissions by three categories of the waste sector in Daejeon Metropolitan City (DMC), Korea, examined the potential for DMC to reduce GHG emission, and discussed the methodology modified from Intergovernmental Panel on Climate Change and Korea national guidelines. During the last five years, DMC's overall GHG emissions were 239 thousand tons CO2 eq./year from eleven public environmental infrastructure facilities, with a population of 1.52 million. Of the three categories, solid waste treatment/disposal contributes 68%, whilst wastewater treatment and others contribute 22% and 10% respectively. Among GHG unit emissions per ton of waste treatment, the biggest contributor was waste incineration of 694 kg CO2 eq./ton, followed by waste disposal of 483 kg CO2 eq./ton, biological treatment of solid waste of 209 kg CO2 eq./ton, wastewater treatment of 0.241 kg CO2 eq./m(3), and public water supplies of 0.067 kg CO2 eq./m(3). Furthermore, it is suggested that the potential in reducing GHG emissions from landfill process can be as high as 47.5% by increasing landfill gas recovery up to 50%. Therefore, it is apparent that reduction strategies for the main contributors of GHG emissions should take precedence over minor contributors and lead to the best practice for managing GHGs abatement. Copyright © 2014 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Three Small-Receptive-Field Ganglion Cells in the Mouse Retina Are Distinctly Tuned to Size, Speed, and Object Motion

PubMed Central

Jacoby, Jason

2017-01-01

Retinal ganglion cells (RGCs) are frequently divided into functional types by their ability to extract and relay specific features from a visual scene, such as the capacity to discern local or global motion, direction of motion, stimulus orientation, contrast or uniformity, or the presence of large or small objects. Here we introduce three previously uncharacterized, nondirection-selective ON–OFF RGC types that represent a distinct set of feature detectors in the mouse retina. The three high-definition (HD) RGCs possess small receptive-field centers and strong surround suppression. They respond selectively to objects of specific sizes, speeds, and types of motion. We present comprehensive morphological characterization of the HD RGCs and physiological recordings of their light responses, receptive-field size and structure, and synaptic mechanisms of surround suppression. We also explore the similarities and differences between the HD RGCs and a well characterized RGC with a comparably small receptive field, the local edge detector, in response to moving objects and textures. We model populations of each RGC type to study how they differ in their performance tracking a moving object. These results, besides introducing three new RGC types that together constitute a substantial fraction of mouse RGCs, provide insights into the role of different circuits in shaping RGC receptive fields and establish a foundation for continued study of the mechanisms of surround suppression and the neural basis of motion detection. SIGNIFICANCE STATEMENT The output cells of the retina, retinal ganglion cells (RGCs), are a diverse group of ∼40 distinct neuron types that are often assigned “feature detection” profiles based on the specific aspects of the visual scene to which they respond. Here we describe, for the first time, morphological and physiological characterization of three new RGC types in the mouse retina, substantially augmenting our understanding of feature selectivity. Experiments and modeling show that while these three “high-definition” RGCs share certain receptive-field properties, they also have distinct tuning to the size, speed, and type of motion on the retina, enabling them to occupy different niches in stimulus space. PMID:28100743

Motion perception without Nystagmus--a novel manifestation of cerebellar stroke.

PubMed

Shaikh, Aasef G

2014-01-01

The motion perception and the vestibulo-ocular reflex (VOR) each serve distinct functions. The VOR keeps the gaze steady on the target of interest, whereas vestibular perception serves a number of tasks, including awareness of self-motion and orientation in space. VOR and motion perception might abide the same neurophysiological principles, but their distinct anatomical correlates were proposed. In patients with cerebellar stroke in distribution of medial division of posterior inferior cerebellar artery, we asked whether specific location of the focal lesion in vestibulocerebellum could cause impaired perception of motion but normal eye movements. Thirteen patients were studied, 5 consistently perceived spinning of surrounding environment (vertigo), but the eye movements were normal. This group was called "disease model." Remaining 8 patients were also symptomatic for vertigo, but they had spontaneous nystagmus. The latter group was called "disease control." Magnetic resonance imaging in both groups consistently revealed focal cerebellar infarct affecting posterior cerebellar vermis (lobule IX). In the "disease model" group, only part of lobule IX was affected. In the disease control group, however, complete lobule IX was involved. This study discovered a novel presentation of cerebellar stroke where only motion perception was affected, but there was an absence of objective neurologic signs. Copyright © 2014 National Stroke Association. Published by Elsevier Inc. All rights reserved.

Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.

PubMed

Lee, Hung-Wen; Chang, Chun-Ming; Hsing, Cheng-Rong

2017-02-28

The puzzle of the magnetic moments of small nickel clusters arises from the discrepancy between values predicted using density functional theory (DFT) and experimental measurements. Traditional DFT approaches underestimate the magnetic moments of nickel clusters. Two fundamental problems are associated with this puzzle, namely, calculating the exchange-correlation interaction accurately and determining the global minimum structures of the clusters. Theoretically, the two problems can be solved using quantum Monte Carlo (QMC) calculations and the ab initio random structure searching (AIRSS) method correspondingly. Therefore, we combined the fixed-moment AIRSS and QMC methods to investigate the magnetic properties of Ni n (n = 5-9) clusters. The spin moments of the diffusion Monte Carlo (DMC) ground states are higher than those of the Perdew-Burke-Ernzerhof ground states and, in the case of Ni 8-9 , two new ground-state structures have been discovered using the DMC calculations. The predicted results are closer to the experimental findings, unlike the results predicted in previous standard DFT studies.

Improved diffusion Monte Carlo propagators for bosonic systems using Itô calculus

NASA Astrophysics Data System (ADS)

Hâkansson, P.; Mella, M.; Bressanini, Dario; Morosi, Gabriele; Patrone, Marta

2006-11-01

The construction of importance sampled diffusion Monte Carlo (DMC) schemes accurate to second order in the time step is discussed. A central aspect in obtaining efficient second order schemes is the numerical solution of the stochastic differential equation (SDE) associated with the Fokker-Plank equation responsible for the importance sampling procedure. In this work, stochastic predictor-corrector schemes solving the SDE and consistent with Itô calculus are used in DMC simulations of helium clusters. These schemes are numerically compared with alternative algorithms obtained by splitting the Fokker-Plank operator, an approach that we analyze using the analytical tools provided by Itô calculus. The numerical results show that predictor-corrector methods are indeed accurate to second order in the time step and that they present a smaller time step bias and a better efficiency than second order split-operator derived schemes when computing ensemble averages for bosonic systems. The possible extension of the predictor-corrector methods to higher orders is also discussed.

Role for the Silencing Protein Dot1 in Meiotic Checkpoint Control

PubMed Central

San-Segundo, Pedro A.; Roeder, G. Shirleen

2000-01-01

During the meiotic cell cycle, a surveillance mechanism called the “pachytene checkpoint” ensures proper chromosome segregation by preventing meiotic progression when recombination and chromosome synapsis are defective. The silencing protein Dot1 (also known as Pch1) is required for checkpoint-mediated pachytene arrest of the zip1 and dmc1 mutants of Saccharomyces cerevisiae. In the absence of DOT1, the zip1 and dmc1 mutants inappropriately progress through meiosis, generating inviable meiotic products. Other components of the pachytene checkpoint include the nucleolar protein Pch2 and the heterochromatin component Sir2. In dot1, disruption of the checkpoint correlates with the loss of concentration of Pch2 and Sir2 in the nucleolus. In addition to its checkpoint function, Dot1 blocks the repair of meiotic double-strand breaks by a Rad54-dependent pathway of recombination between sister chromatids. In vegetative cells, mutation of DOT1 results in delocalization of Sir3 from telomeres, accounting for the impaired telomeric silencing in dot1. PMID:11029058

Functional interface of polymer modified graphite anode

NASA Astrophysics Data System (ADS)

Komaba, S.; Ozeki, T.; Okushi, K.

Graphite electrodes were modified by polyacrylic acid (PAA), polymethacrylic acid (PMA), and polyvinyl alcohol (PVA). Their electrochemical properties were examined in 1 mol dm -3 LiClO 4 ethylene carbonate:dimethyl carbonate (EC:DMC) and propylene carbonate (PC) solutions as an anode of lithium ion batteries. Generally, lithium ions hardly intercalate into graphite in the PC electrolyte due to a decomposition of the PC electrolyte at ca. 0.8 V vs. Li/Li +, and it results in the exfoliation of the graphene layers. However, the modified graphite electrodes with PAA, PMA, and PVA demonstrated the stable charge-discharge performance due to the reversible lithium intercalation not only in the EC:DMC but also in the PC electrolytes since the electrolyte decomposition and co-intercalation of solvent were successfully suppressed by the polymer modification. It is thought that these improvements were attributed to the interfacial function of the polymer layer on the graphite which interacted with the solvated lithium ions at the electrode interface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk; Cohen, R. E.

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimalmore » VMC and DMC binding energies of −2.3(4) and −2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is −2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.« less

Measurement and Compensation of BPM Chamber Motion in HLS

NASA Astrophysics Data System (ADS)

Li, J. W.; Sun, B. G.; Cao, Y.; Xu, H. L.; Lu, P.; Li, C.; Xuan, K.; Wang, J. G.

2010-06-01

Significant horizontal drifts in the beam orbit in the storage ring of HLS (Hefei Light Source) have been seen for many years. What leads to the motion of Beam Position Monitor (BPM) chamber is thermal expansion mainly caused by the synchrotron light. To monitor the BPM chamber motions for all BPMs, a BPM chamber motion measurement system is built in real-time. The raster gauges are used to measure the displacements. The results distinctly show the relation between the BPM chamber motion and the beam current. To suppress the effect of BPM chamber motion, a compensation strategy is implemented at HLS. The horizontal drifts of beam orbit have been really suppressed within 20μm without the compensation of BPM chamber motion in the runtime.

Motion and Edge Sensitivity in Perception of Object Unity

ERIC Educational Resources Information Center

Smith, W. Carter; Johnson, Scott P.; Spelke, Elizabeth S.

2003-01-01

Although much evidence indicates that young infants perceive unitary objects by analyzing patterns of motion, infants' abilities to perceive object unity by analyzing Gestalt properties and by integrating distinct views of an object over time are in dispute. To address these controversies, four experiments investigated adults' and infants'…

75 FR 56094 - Delta-Mendota Canal Intertie Project

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-15

... and maintenance road along the canal would be used to set the transmission structures. Although span... access and maintenance road would be realigned where necessary to accommodate transmission line... DMC. The route also allowed use of the existing canal access and maintenance road to be used for...

Dynamic Constellation Tasking and Management

DTIC Science & Technology

2013-03-01

14 2.4. DARPA SeeMe Concept................................................................................20...11 Figure 3. DARPA SeeMe Satellite (Artist’s Concept) .................................................... 20 Figure 4...concept has not been adopted, it may one day find use with the DMC or other satellite systems. 2.4. DARPA SeeMe Concept The Defense Advance Research

Measurement and Compensation of BPM Chamber Motion in HLS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J. W.; Sun, B. G.; Cao, Y.

2010-06-23

Significant horizontal drifts in the beam orbit in the storage ring of HLS (Hefei Light Source) have been seen for many years. What leads to the motion of Beam Position Monitor (BPM) chamber is thermal expansion mainly caused by the synchrotron light. To monitor the BPM chamber motions for all BPMs, a BPM chamber motion measurement system is built in real-time. The raster gauges are used to measure the displacements. The results distinctly show the relation between the BPM chamber motion and the beam current. To suppress the effect of BPM chamber motion, a compensation strategy is implemented at HLS.more » The horizontal drifts of beam orbit have been really suppressed within 20{mu}m without the compensation of BPM chamber motion in the runtime.« less

Separate Perceptual and Neural Processing of Velocity- and Disparity-Based 3D Motion Signals

PubMed Central

Czuba, Thaddeus B.; Cormack, Lawrence K.; Huk, Alexander C.

2016-01-01

Although the visual system uses both velocity- and disparity-based binocular information for computing 3D motion, it is unknown whether (and how) these two signals interact. We found that these two binocular signals are processed distinctly at the levels of both cortical activity in human MT and perception. In human MT, adaptation to both velocity-based and disparity-based 3D motions demonstrated direction-selective neuroimaging responses. However, when adaptation to one cue was probed using the other cue, there was no evidence of interaction between them (i.e., there was no “cross-cue” adaptation). Analogous psychophysical measurements yielded correspondingly weak cross-cue motion aftereffects (MAEs) in the face of very strong within-cue adaptation. In a direct test of perceptual independence, adapting to opposite 3D directions generated by different binocular cues resulted in simultaneous, superimposed, opposite-direction MAEs. These findings suggest that velocity- and disparity-based 3D motion signals may both flow through area MT but constitute distinct signals and pathways. SIGNIFICANCE STATEMENT Recent human neuroimaging and monkey electrophysiology have revealed 3D motion selectivity in area MT, which is driven by both velocity-based and disparity-based 3D motion signals. However, to elucidate the neural mechanisms by which the brain extracts 3D motion given these binocular signals, it is essential to understand how—or indeed if—these two binocular cues interact. We show that velocity-based and disparity-based signals are mostly separate at the levels of both fMRI responses in area MT and perception. Our findings suggest that the two binocular cues for 3D motion might be processed by separate specialized mechanisms. PMID:27798134

Separate Perceptual and Neural Processing of Velocity- and Disparity-Based 3D Motion Signals.

PubMed

Joo, Sung Jun; Czuba, Thaddeus B; Cormack, Lawrence K; Huk, Alexander C

2016-10-19

Although the visual system uses both velocity- and disparity-based binocular information for computing 3D motion, it is unknown whether (and how) these two signals interact. We found that these two binocular signals are processed distinctly at the levels of both cortical activity in human MT and perception. In human MT, adaptation to both velocity-based and disparity-based 3D motions demonstrated direction-selective neuroimaging responses. However, when adaptation to one cue was probed using the other cue, there was no evidence of interaction between them (i.e., there was no "cross-cue" adaptation). Analogous psychophysical measurements yielded correspondingly weak cross-cue motion aftereffects (MAEs) in the face of very strong within-cue adaptation. In a direct test of perceptual independence, adapting to opposite 3D directions generated by different binocular cues resulted in simultaneous, superimposed, opposite-direction MAEs. These findings suggest that velocity- and disparity-based 3D motion signals may both flow through area MT but constitute distinct signals and pathways. Recent human neuroimaging and monkey electrophysiology have revealed 3D motion selectivity in area MT, which is driven by both velocity-based and disparity-based 3D motion signals. However, to elucidate the neural mechanisms by which the brain extracts 3D motion given these binocular signals, it is essential to understand how-or indeed if-these two binocular cues interact. We show that velocity-based and disparity-based signals are mostly separate at the levels of both fMRI responses in area MT and perception. Our findings suggest that the two binocular cues for 3D motion might be processed by separate specialized mechanisms. Copyright © 2016 the authors 0270-6474/16/3610791-12$15.00/0.

Decision Making in Adults with ADHD

ERIC Educational Resources Information Center

Montyla, Timo; Still, Johanna; Gullberg, Stina; Del Missier, Fabio

2012-01-01

Objectives: This study examined decision-making competence in ADHD by using multiple decision tasks with varying demands on analytic versus affective processes. Methods: Adults with ADHD and healthy controls completed two tasks of analytic decision making, as measured by the Adult Decision-Making Competence (A-DMC) battery, and two affective…

Data Management Consulting at the Johns Hopkins University

ERIC Educational Resources Information Center

Varvel, Virgil E., Jr.; Shen, Yi

2013-01-01

As research data complexity and quantity grows and funding agency requirements for data management are articulated, there is a growing need for data management services (DMS). Within these services, one important role emerging is that of data management consultant (DMC). Roles were analyzed that these professionals play through case study analysis…

Hierarchical object-based classification of ultra-high-resolution digital mapping camera (DMC) imagery for rangeland mapping and assessment

USDA-ARS?s Scientific Manuscript database

Ultra high resolution digital aerial photography has great potential to complement or replace ground measurements of vegetation cover for rangeland monitoring and assessment. We investigated object-based image analysis (OBIA) techniques for classifying vegetation in southwestern U.S. arid rangelands...

The Distinction of Hot Herbal Compress, Hot Compress, and Topical Diclofenac as Myofascial Pain Syndrome Treatment.

PubMed

Boonruab, Jurairat; Nimpitakpong, Netraya; Damjuti, Watchara

2018-01-01

This randomized controlled trial aimed to investigate the distinctness after treatment among hot herbal compress, hot compress, and topical diclofenac. The registrants were equally divided into groups and received the different treatments including hot herbal compress, hot compress, and topical diclofenac group, which served as the control group. After treatment courses, Visual Analog Scale and 36-Item Short Form Health survey were, respectively, used to establish the level of pain intensity and quality of life. In addition, cervical range of motion and pressure pain threshold were also examined to identify the motional effects. All treatments showed significantly decreased level of pain intensity and increased cervical range of motion, while the intervention groups exhibited extraordinary capability compared with the topical diclofenac group in pressure pain threshold and quality of life. In summary, hot herbal compress holds promise to be an efficacious treatment parallel to hot compress and topical diclofenac.

Audiovisual associations alter the perception of low-level visual motion

PubMed Central

Kafaligonul, Hulusi; Oluk, Can

2015-01-01

Motion perception is a pervasive nature of vision and is affected by both immediate pattern of sensory inputs and prior experiences acquired through associations. Recently, several studies reported that an association can be established quickly between directions of visual motion and static sounds of distinct frequencies. After the association is formed, sounds are able to change the perceived direction of visual motion. To determine whether such rapidly acquired audiovisual associations and their subsequent influences on visual motion perception are dependent on the involvement of higher-order attentive tracking mechanisms, we designed psychophysical experiments using regular and reverse-phi random dot motions isolating low-level pre-attentive motion processing. Our results show that an association between the directions of low-level visual motion and static sounds can be formed and this audiovisual association alters the subsequent perception of low-level visual motion. These findings support the view that audiovisual associations are not restricted to high-level attention based motion system and early-level visual motion processing has some potential role. PMID:25873869

Dissection of Drosophila Visual Circuits Implicative in Figure Motion

NASA Astrophysics Data System (ADS)

Kelley, Ross G.

The Drosophila visual system offers a model to study the foundations of how motion signals are computed from raw visual input and transformed into behavioral output. My studies focus on how specific cells in the Drosophila nervous system implement this input-output transformation. The individual cell types are known from classical studies using Golgi impregnations, but the assembly of motion processing circuits and the behavioral outputs remain poorly understood. Using an electronic flight simulator for flies and a white-noise analysis developed by Aptekar et al., I screen specific neurons in the optic lobes for behavioral ramifications. This approach produces wing responses to both the spatial and temporal dynamics of motion signals. The results of these experiments give Spatiotemporal Action Fields (STAFs) across the entire visual panorama. Genetically inactivating a distinct grouping of cells in the third optic ganglion, the Lobula Plate, the Horizontal System (HS) cell group, produced a robust phenotype through STAF analysis. Using the Gal4-UAS transgene expression system, we selectively inactivated the HS cells by expressing in their membrane inward rectifying potassium channels (Kir2.1) to hyperpolarize these cells, preventing their role in synaptic signaling. The results of the experiments show mutants lose steering responses to several distinct categories of figure motion and reduced behavioral responses to figure motion set against a contrasting moving background, highlighting their role in figure tracking behavior. Finally, a synapse inactivating protein, tetanus toxin (TNT), expressed in the HS cell group, produces a different behavioral phenotype than overexpressing inward rectifier. TNT, a bacterial neurotoxin, cleaves SNARE proteins resulting in loss of synaptic output of the cell, but the dendrites are intact and signal normally, preserving dendro-dendritic interactions known to sculpt the visual receptive fields of these cells. The two distinct phenotypes to each genetically targeted silencer differentiate the functional role of dendritic integration versus axonal output in this important cell group.

Physical activity classification using time-frequency signatures of motion artifacts in multi-channel electrical impedance plethysmographs.

PubMed

Khan, Hassan Aqeel; Gore, Amit; Ashe, Jeff; Chakrabartty, Shantanu

2017-07-01

Physical activities are known to introduce motion artifacts in electrical impedance plethysmographic (EIP) sensors. Existing literature considers motion artifacts as a nuisance and generally discards the artifact containing portion of the sensor output. This paper examines the notion of exploiting motion artifacts for detecting the underlying physical activities which give rise to the artifacts in question. In particular, we investigate whether the artifact pattern associated with a physical activity is unique; and does it vary from one human-subject to another? Data was recorded from 19 adult human-subjects while conducting 5 distinct, artifact inducing, activities. A set of novel features based on the time-frequency signatures of the sensor outputs are then constructed. Our analysis demonstrates that these features enable high accuracy detection of the underlying physical activity. Using an SVM classifier we are able to differentiate between 5 distinct physical activities (coughing, reaching, walking, eating and rolling-on-bed) with an average accuracy of 85.46%. Classification is performed solely using features designed specifically to capture the time-frequency signatures of different physical activities. This enables us to measure both respiratory and motion information using only one type of sensor. This is in contrast to conventional approaches to physical activity monitoring; which rely on additional hardware such as accelerometers to capture activity information.

A new dimension in retrograde flow: centripetal movement of engulfed particles.

PubMed Central

Caspi, A; Yeger, O; Grosheva, I; Bershadsky, A D; Elbaum, M

2001-01-01

Centripetal motion of surface-adherent particles is a classic experimental system for studying surface dynamics on a eukaryotic cell. To investigate bead migration over the entire cell surface, we have developed an experimental assay using multinuclear giant fibroblasts, which provide expanded length scales and an unambiguous frame of reference. Beads coated by adhesion ligands concanavalin A or fibronectin are placed in specific locations on the cell using optical tweezers, and their subsequent motion is tracked over time. The adhesion, as well as velocity and directionality of their movement, expose distinct regions of the cytoplasm and membrane. Beads placed on the peripheral lamella initiate centripetal motion, whereas beads placed on the central part of the cell attach to a stationary cortex and do not move. Careful examination by complementary three-dimensional methods shows that the motion of a bead placed on the cell periphery takes place after engulfment into the cytoplasm, whereas stationary beads, placed near the cell center, are not engulfed. These results demonstrate that centripetal motion of adhering particles may occur inside as well as outside the cell. Inhibition of actomyosin activity is used to explore requirements for engulfment and aspects of the bead movement. Centripetal movement of adherent particles seems to depend on mechanisms distinct from those driving overall cell contractility. PMID:11566772

Fabrication of Yolk-Shell Cu@C Nanocomposites as High-Performance Catalysts in Oxidative Carbonylation of Methanol to Dimethyl Carbonate

NASA Astrophysics Data System (ADS)

Wang, Juan; Hao, Panpan; Shi, Ruina; Yang, Leilei; Liu, Shusen; Zhao, Jinxian; Ren, Jun; Li, Zhong

2017-08-01

A facile way was developed to fabricate yolk-shell composites with tunable Cu cores encapsulated within hollow carbon spheres (Cu@C) with an average diameter about 210 nm and cavity size about 80 nm. During pyrolysis, the confined nanospace of hollow cavity ensures that the nucleation-and-growth process of Cu nanocrystals take place exclusively inside the cavities. The size of Cu cores can be easily tuned from 30 to 55 nm by varying the copper salt concentration. By deliberately creating shell porosity through KOH chemical activation, at an optimized KOH/HCS mass ratio of 1/4, the catalytic performance for the oxidative carbonylation of methanol to dimethyl carbonate (DMC) of the activated sample is enhanced remarkably with TOF up to 8.6 h-1 at methanol conversion of 17.1%. The activated yolk-shell catalyst shows promising catalytic properties involving the reusability with slight loss of catalytic activity and negligible leaching of activated components even after seven recycles, which is beneficial to the implementation of clean production for the eco-friendly chemical DMC thoroughly.

Navigation strategy and filter design for solar electric missions

NASA Technical Reports Server (NTRS)

Tapley, B. D.; Hagar, H., Jr.

1972-01-01

Methods which have been proposed to improve the navigation accuracy for the low-thrust space vehicle include modifications to the standard Sequential- and Batch-type orbit determination procedures and the use of inertial measuring units (IMU) which measures directly the acceleration applied to the vehicle. The navigation accuracy obtained using one of the more promising modifications to the orbit determination procedures is compared with a combined IMU-Standard. The unknown accelerations are approximated as both first-order and second-order Gauss-Markov processes. The comparison is based on numerical results obtained in a study of the navigation requirements of a numerically simulated 152-day low-thrust mission to the asteroid Eros. The results obtained in the simulation indicate that the DMC algorithm will yield a significant improvement over the navigation accuracies achieved with previous estimation algorithms. In addition, the DMC algorithms will yield better navigation accuracies than the IMU-Standard Orbit Determination algorithm, except for extremely precise IMU measurements, i.e., gyroplatform alignment .01 deg and accelerometer signal-to-noise ratio .07. Unless these accuracies are achieved, the IMU navigation accuracies are generally unacceptable.

Prediction of carotenoids, cyanide and dry matter contents in fresh cassava root using NIRS and Hunter color techniques.

PubMed

Sánchez, T; Ceballos, H; Dufour, D; Ortiz, D; Morante, N; Calle, F; Zum Felde, T; Domínguez, M; Davrieux, F

2014-05-15

Efforts are currently underway to improve carotenoids content in cassava roots through conventional breeding as a strategy to reduce vitamin A deficiency. However, only few samples can be quantified each day for total carotenoids (TCC) and β-carotene (TBC) contents, limiting the gains from breeding. A database with >3000 samples was used to evaluate the potential of NIRS and chromameter devices to predict root quality traits. Maximum TTC and TBC were up to 25.5 and 16.6 μg/g (fresh weight basis), respectively. NIRS predictions were highly satisfactory for dry matter content (DMC, R(2): 0.96), TCC (R(2): 0.92) and TBC (R(2): 0.93). NIRS could also distinguish roots with high or low cyanogenic potential (R(2): 0.86). Hunter color parameters could also be used for predictions, but with lower accuracy than NIRS. NIRS or chromameter improve selection protocols, allowing faster gains from breeding. Results also demonstrate that TBC and DMC can be improved simultaneously (required for the adoption of biofortified cassava). Copyright © 2013 Elsevier Ltd. All rights reserved.

Developing a Tool for Measuring the Decision-Making Competence of Older Adults

PubMed Central

Finucane, Melissa L.; Gullion, Christina M.

2010-01-01

The authors evaluated the reliability and validity of a tool for measuring older adults’ decision-making competence (DMC). Two-hundred-five younger adults (25-45 years), 208 young-older adults (65-74 years), and 198 old-older adults (75-97 years) made judgments and decisions related to health, finance, and nutrition. Reliable indices of comprehension, dimension weighting, and cognitive reflection were developed. Unlike previous research, the authors were able to compare old-older with young-older adults’ performance. As hypothesized, old-older adults performed more poorly than young-older adults; both groups of older adults performed more poorly than younger adults. Hierarchical regression analyses showed that a large amount of variance in decision performance across age groups (including mean trends) could be accounted for by social variables, health measures, basic cognitive skills, attitudinal measures, and numeracy. Structural equation modeling revealed significant pathways from three exogenous latent factors (crystallized intelligence, other cognitive abilities, and age) to the endogenous DMC latent factor. Further research is needed to validate the meaning of performance on these tasks for real-life decision making. PMID:20545413

Development of many-body polarizable force fields for Li-battery applications: 2. LiTFSI-doped Oligoether, polyether, and carbonate-based electrolytes.

PubMed

Borodin, Oleg; Smith, Grant D

2006-03-30

A quantum chemistry study of Li(+) interactions with ethers, carbonates, alkanes, and a trifluoromethanesulfonylimide anion (TFSI(-)) was performed at the MP2, B3LYP, and HF levels using the aug-cc-pvDz basis set for solvents and TFSI(-) anion, and [8s4p3d/5s3p2d]-type basis set for Li. A classical many-polarizable force field was developed for the LiTFSI salt interacting with ethylene carbonate (EC), gamma-butyrolactone (GBL), dimethyl carbonate (DMC), acetone, oligoethers, n-alkanes, and perfluoroalkanes. Molecular dynamics (MD) simulations were performed for EC/LiTFSI, PC/LiTFSI, GBL/LiTFSI, DMC/LiTFSI, 1,2-dimethoxyethane/LiTFSI, pentaglyme/LiTFSI, and poly(ethylene oxide) (MW = 2380)/LiTFSI electrolytes at temperatures from 298 to 423 K and salt concentrations from 0.3 to 5 M. The ion and solvent self-diffusion coefficients, electrolyte conductivity, electrolyte density, LiTFSI apparent molar volumes, and structure of the Li(+) cation environment predicted by MD simulations were found in good agreement with experimental data.

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

NASA Astrophysics Data System (ADS)

Christensen, H. M.; Jake, L. C.; Curotto, E.

2016-05-01

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n-dipoles clusters in the n = 8-20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.

Chemical accuracy from quantum Monte Carlo for the benzene dimer.

PubMed

Azadi, Sam; Cohen, R E

2015-09-14

We report an accurate study of interactions between benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory using different van der Waals functionals. In our quantum Monte Carlo (QMC) calculations, we use accurate correlated trial wave functions including three-body Jastrow factors and backflow transformations. We consider two benzene molecules in the parallel displaced geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the coupled-cluster theory through perturbative triplets/complete basis set limit is -2.65(2) kcal/mol [Miliordos et al., J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, comparable to results from the best quantum chemistry methods.

Highly Accurate Calculations of the Phase Diagram of Cold Lithium

NASA Astrophysics Data System (ADS)

Shulenburger, Luke; Baczewski, Andrew

The phase diagram of lithium is particularly complicated, exhibiting many different solid phases under the modest application of pressure. Experimental efforts to identify these phases using diamond anvil cells have been complemented by ab initio theory, primarily using density functional theory (DFT). Due to the multiplicity of crystal structures whose enthalpy is nearly degenerate and the uncertainty introduced by density functional approximations, we apply the highly accurate many-body diffusion Monte Carlo (DMC) method to the study of the solid phases at low temperature. These calculations span many different phases, including several with low symmetry, demonstrating the viability of DMC as a method for calculating phase diagrams for complex solids. Our results can be used as a benchmark to test the accuracy of various density functionals. This can strengthen confidence in DFT based predictions of more complex phenomena such as the anomalous melting behavior predicted for lithium at high pressures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Paleomagnetic Tests of Global Plate Reconstructions with Fixed and Moving Hotspots

NASA Astrophysics Data System (ADS)

Andrews, D. L.; Gordon, R. G.; Horner-Johnson, B. C.

2004-12-01

Three distinct approaches have been used in prior work to estimate the motion of the Pacific basin plates relative to the surrounding continents. The first approach is to use the global plate motion circuit through Antarctica (e.g., the Pacific plate to the Antarctic plate to the African plate to the North American plate). An update to this approach is to incorporate the modest mid-Tertiary motion between East and West Antarctica estimated by Cande et al. (2000). A recently proposed second approach is to take an alternative circuit for the early Tertiary of the Pacific plate to the Australian plate to the East Antarctic plate to the African plate to the North American plate (Steinberger et al. 2004). The third approach is to assume that the hotspots in the Pacific Ocean are fixed relative to those in the Atlantic and Indian Oceans (e.g., Engebretson et al., 1986), which we recently showed indicates motion between East and West Antarctica of 800 ± 500 km near the Ross Sea Embayment. The first approach (global plate motion circuit through Antarctica) indicates very rapid motion between Pacific and Indo-Atlantic hotspots during the early Tertiary (e.g., Raymond et al. 2000). The second approach (global plate motion circuit through Australia) indicates slower, but still substantial, motion between Pacific and Indo-Atlantic hotspots (Steinberger et al. 2004). Because each of the three approaches predicts distinctly different motion between the Pacific plate and the continental plates, they can be tested with paleomagnetic data. The results of such tests indicate that the first approach leads to systematic and significant misfits between Pacific and non-Pacific early Tertiary and Late Cretaceous paleomagnetic poles. The second approach leads to slightly smaller misfits. In contrast, the circuit based on fixed hotspots brings the Pacific and non-Pacific paleomagnetic poles into consistency. Thus the paleomagnetic data decisively favor fixed hotspots over the alternative approaches and suggests that motion between hotspots is substantially less than inferred by Steinberger et al. (2004).

Serotonin Activates Overall Feeding by Activating Two Separate Neural Pathways in Caenorhabditis elegans

PubMed Central

Song, Bo-mi; Avery, Leon

2012-01-01

Food intake in the nematode Caenorhabditis elegans requires two distinct feeding motions, pharyngeal pumping and isthmus peristalsis. Bacteria, the natural food of C. elegans, activate both feeding motions (Croll, 1978; Horvitz et al., 1982; Chiang et al., 2006). The mechanisms by which bacteria activate the feeding motions are largely unknown. To understand the process, we studied how serotonin, an endogenous pharyngeal pumping activator whose action is triggered by bacteria, activates feeding motions. Here, we show that serotonin, like bacteria, activates overall feeding by activating isthmus peristalsis as well as pharyngeal pumping. During active feeding, the frequencies and the timing of onset of the two motions were distinct, but each isthmus peristalsis was coupled to the preceding pump. We found that serotonin activates the two feeding motions mainly by activating two separate neural pathways in response to bacteria. For activating pumping, the SER-7 serotonin receptor in the MC motor neurons in the feeding organ activated cholinergic transmission from MC to the pharyngeal muscles by activating the Gsα signaling pathway. For activating isthmus peristalsis, SER-7 in the M4 (and possibly M2) motor neuron in the feeding organ activated the G12α signaling pathway in a cell-autonomous manner, which presumably activates neurotransmission from M4 to the pharyngeal muscles. Based on our results and previous calcium imaging of pharyngeal muscles (Shimozono et al., 2004), we propose a model that explains how the two feeding motions are separately regulated yet coupled. The feeding organ may have evolved this way to support efficient feeding. PMID:22323705

3D landslide motion from a UAV-derived time-series of morphological attributes

NASA Astrophysics Data System (ADS)

Valasia Peppa, Maria; Mills, Jon Philip; Moore, Philip; Miller, Pauline; Chambers, Jon

2017-04-01

Landslides are recognised as dynamic and significantly hazardous phenomena. Time-series observations can improve the understanding of a landslide's complex behaviour and aid assessment of its geometry and kinematics. Conventional quantification of landslide motion involves the installation of survey markers into the ground at discrete locations and periodic observations over time. However, such surveying is labour intensive, provides limited spatial resolution, is occasionally hazardous for steep terrain, or even impossible for inaccessible mountainous areas. The emergence of mini unmanned aerial vehicles (UAVs) equipped with off-the-shelf compact cameras, alongside the structure-from-motion (SfM) photogrammetric pipeline and modern pixel-based matching approaches, has expedited the automatic generation of high resolution digital elevation models (DEMs). Moreover, cross-correlation functions applied to finely co-registered consecutive orthomosaics and/or DEMs have been widely used to determine the displacement of moving features in an automated way, resulting in high spatial resolution motion vectors. This research focuses on estimating the 3D displacement field of an active slow moving earth-slide earth-flow landslide located in Lias mudrocks of North Yorkshire, UK, with the ultimate aim of assessing landslide deformation patterns. The landslide extends approximately 290 m E-W and 230 m N-S, with an average slope of 12˚ and 50 m elevation difference from N-S. Cross-correlation functions were applied to an eighteen-month duration, UAV-derived, time-series of morphological attributes in order to determine motion vectors for subsequent landslide analysis. A self-calibrating bundle adjustment was firstly incorporated into the SfM pipeline and utilised to process imagery acquired using a Panasonic Lumix DMC-LX5 compact camera from a mini fixed-wing Quest 300 UAV, with 2 m wingspan and maximum 5 kg payload. Data from six field campaigns were used to generate a DEM time-series at 6 cm spatial resolution. DEMs were georeferenced into a common reference frame using control information from surveyed ground control points. The accuracy of the co-registration was estimated from planimetric and vertical RMS errors at independent checkpoints as 4 cm and 3 cm respectively. Afterwards, various morphological attributes, including shaded relief, curvature and openness were calculated from the UAV-derived DEMs. These attributes are indicative of the local structures of discernible geomorphological features (e.g. scarps, ridges, cracks, etc.), the motion of which can be monitored using the cross-correlation algorithm. Multiple experiments were conducted to test the performance of the cross-correlation function implemented on successive epochs. Two benchmark datasets were used for validation of the cross-correlation results: a) the motion vectors generated from the surveyed 3D position of installed markers; b) the calculated displacements of features, manually tracked from successive UAV-derived orthomosaics. Both benchmark datasets detected a maximum planimetric displacement of approximately 1 m at the foot of the landslide, with a dominant N-S orientation, between December 2014 and May 2016. Preliminary cross-correlation results illustrated a similar planimetric motion in both magnitude and orientation, however user intervention was required to filter spurious displacement vectors.

Hand kinematics of piano playing

PubMed Central

Flanders, Martha; Soechting, John F.

2011-01-01

Dexterous use of the hand represents a sophisticated sensorimotor function. In behaviors such as playing the piano, it can involve strong temporal and spatial constraints. The purpose of this study was to determine fundamental patterns of covariation of motion across joints and digits of the human hand. Joint motion was recorded while 5 expert pianists played 30 excerpts from musical pieces, which featured ∼50 different tone sequences and fingering. Principal component analysis and cluster analysis using an expectation-maximization algorithm revealed that joint velocities could be categorized into several patterns, which help to simplify the description of the movements of the multiple degrees of freedom of the hand. For the thumb keystroke, two distinct patterns of joint movement covariation emerged and they depended on the spatiotemporal patterns of the task. For example, the thumb-under maneuver was clearly separated into two clusters based on the direction of hand translation along the keyboard. While the pattern of the thumb joint velocities differed between these clusters, the motions at the metacarpo-phalangeal and proximal-phalangeal joints of the four fingers were more consistent. For a keystroke executed with one of the fingers, there were three distinct patterns of joint rotations, across which motion at the striking finger was fairly consistent, but motion of the other fingers was more variable. Furthermore, the amount of movement spillover of the striking finger to the adjacent fingers was small irrespective of the finger used for the keystroke. These findings describe an unparalleled amount of independent motion of the fingers. PMID:21880938

Causes and consequences of cerebral small vessel disease. The RUN DMC study: a prospective cohort study. Study rationale and protocol.

PubMed

van Norden, Anouk Gw; de Laat, Karlijn F; Gons, Rob Ar; van Uden, Inge Wm; van Dijk, Ewoud J; van Oudheusden, Lucas Jb; Esselink, Rianne Aj; Bloem, Bastiaan R; van Engelen, Baziel Gm; Zwarts, Machiel J; Tendolkar, Indira; Olde-Rikkert, Marcel G; van der Vlugt, Maureen J; Zwiers, Marcel P; Norris, David G; de Leeuw, Frank-Erik

2011-02-28

Cerebral small vessel disease (SVD) is a frequent finding on CT and MRI scans of elderly people and is related to vascular risk factors and cognitive and motor impairment, ultimately leading to dementia or parkinsonism in some. In general, the relations are weak, and not all subjects with SVD become demented or get parkinsonism. This might be explained by the diversity of underlying pathology of both white matter lesions (WML) and the normal appearing white matter (NAWM). Both cannot be properly appreciated with conventional MRI. Diffusion tensor imaging (DTI) provides alternative information on microstructural white matter integrity. The association between SVD, its microstructural integrity, and incident dementia and parkinsonism has never been investigated. The RUN DMC study is a prospective cohort study on the risk factors and cognitive and motor consequences of brain changes among 503 non-demented elderly, aged between 50-85 years, with cerebral SVD. First follow up is being prepared for July 2011. Participants alive will be included and invited to the research centre to undergo a structured questionnaire on demographics and vascular risk factors, and a cognitive, and motor, assessment, followed by a MRI protocol including conventional MRI, DTI and resting state fMRI. The follow up of the RUN DMC study has the potential to further unravel the causes and possibly better predict the consequences of changes in white matter integrity in elderly with SVD by using relatively new imaging techniques. When proven, these changes might function as a surrogate endpoint for cognitive and motor function in future therapeutic trials. Our data could furthermore provide a better understanding of the pathophysiology of cognitive and motor disturbances in elderly with SVD. The execution and completion of the follow up of our study might ultimately unravel the role of SVD on the microstructural integrity of the white matter in the transition from "normal" aging to cognitive and motor decline and impairment and eventually to incident dementia and parkinsonism.

Integrative Conductance of Oxygen During Exercise at Altitude.

PubMed

Calbet, José A L; Lundby, Carsten; Boushel, Robert

2016-01-01

In the oxygen (O2) cascade downstream steps can never achieve higher flows of O2 than the preceding ones. At the lung the transfer of O2 is determined by the O2 gradient between the alveolar space and the lung capillaries and the O2 diffusing capacity (DLO2). While DLO2 may be increased several times during exercise by recruiting more lung capillaries and by increasing the oxygen carrying capacity of blood due to higher peripheral extraction of O2, the capacity to enhance the alveolocapillary PO2 gradient is more limited. The transfer of oxygen from the alveolar space to the hemoglobin (Hb) must overcome first the resistance offered by the alveolocapillary membrane (1/DM) and the capillary blood (1/θVc). The fractional contribution of each of these two components to DLO2 remains unknown. During exercise these resistances are reduced by the recruitment of lung capillaries. The factors that reduce the slope of the oxygen dissociation curve of the Hb (ODC) (i.e., lactic acidosis and hyperthermia) increase 1/θVc contributing to limit DLO2. These effects are accentuated in hypoxia. Reducing the size of the active muscle mass improves pulmonary gas exchange during exercise and reduces the rightward shift of the ODC. The flow of oxygen from the muscle capillaries to the mitochondria is pressumably limited by muscle O2 conductance (DmcO2) (an estimation of muscle oxygen diffusing capacity). However, during maximal whole body exercise in normoxia, a higher flow of O2 is achieved at the same pressure gradients after increasing blood [Hb], implying that in healthy humans exercising in normoxia there is a functional reserve in DmcO2. This conclusion is supported by the fact that during small muscle exercise in chronic hypoxia, peak exercise DmcO2 is similar to that observed during exercise in normoxia despite a markedly lower O2 pressure gradient driving diffusion.

Addressing data access challenges in seismology

NASA Astrophysics Data System (ADS)

Trabant, C. M.; Ahern, T.; Weertman, B.; Benson, R. B.; Van Fossen, M.; Weekly, R. T.; Casey, R. E.; Suleiman, Y. Y.; Stults, M.

2016-12-01

The development of web services at the IRIS Data Management Center (DMC) over the last 6 years represents the most significant enhancement of data access ever introduced at the DMC. These web services have allowed the us to focus our internal operations around a single, consistent data access layer while facilitating development of a new generation of tools and methods for researchers to conduct their work. This effort led the DMC to propose standardized web service interfaces within the International Federation of Digital Seismograph Networks (FDSN), enabling other seismological data centers to offer data using compatible interfaces. With this new foundation, we now turn our attention to more advanced data access challenges. In particular, we will present the status of two developments intending to address 1) access to data of consistent quality for science and 2) discovery and access of data from multiple data centers. To address the challenge of requesting high or consistent quality data we will introduce our Research-Ready Data Sets (RRDS) initiative. The purpose of the RRDS project is to reduce the time a researcher spends culling and otherwise identifying data appropriate for given study. RRDS will provide users with additional criteria related to data quality that can be specified when requesting data. Leveraging the data quality measurements provided by our MUSTANG system, these criteria will include ambient noise, completeness, dead channel identification and more. To address the challenge of seismological data discovery and access, we have built and continue to improve the IRIS Federator. The Federator takes advantage of the FDSN-standard web services at various data centers to help a user locate specific channels, wherever they may be offered globally. The search interface provides results that are pre-formatted requests, ready for submission to each data center that serves that data. These two developments are aimed squarely at reducing the time researchers spend searching for, collecting and preparing data for processing.

CO₂ and O₂ evolution at high voltage cathode materials of Li-ion batteries: a differential electrochemical mass spectrometry study.

PubMed

Wang, Hongsen; Rus, Eric; Sakuraba, Takahito; Kikuchi, Jun; Kiya, Yasuyuki; Abruña, Héctor D

2014-07-01

A three-electrode differential electrochemical mass spectrometry (DEMS) cell has been developed to study the oxidative decomposition of electrolytes at high voltage cathode materials of Li-ion batteries. In this DEMS cell, the working electrode used was the same as the cathode electrode in real Li-ion batteries, i.e., a lithium metal oxide deposited on a porous aluminum foil current collector. A charged LiCoO2 or LiMn2O4 was used as the reference electrode, because of their insensitivity to air, when compared to lithium. A lithium sheet was used as the counter electrode. This DEMS cell closely approaches real Li-ion battery conditions, and thus the results obtained can be readily correlated with reactions occurring in real Li-ion batteries. Using DEMS, the oxidative stability of three electrolytes (1 M LiPF6 in EC/DEC, EC/DMC, and PC) at three cathode materials including LiCoO2, LiMn2O4, and LiNi(0.5)Mn(1.5)O4 were studied. We found that 1 M LiPF6 + EC/DMC electrolyte is quite stable up to 5.0 V, when LiNi(0.5)Mn(1.5)O4 is used as the cathode material. The EC/DMC solvent mixture was found to be the most stable for the three cathode materials, while EC/DEC was the least stable. The oxidative decomposition of the EC/DEC mixture solvent could be readily observed under operating conditions in our cell even at potentials as low as 4.4 V in 1 M LiPF6 + EC/DEC electrolyte on a LiCoO2 cathode, as indicated by CO2 and O2 evolution. The features of this DEMS cell to unveil solvent and electrolyte decomposition pathways are also described.

Exploring the role and function of trial steering committees: results of an expert panel meeting.

PubMed

Harman, Nicola L; Conroy, Elizabeth J; Lewis, Steff C; Murray, Gordon; Norrie, John; Sydes, Matt R; Lane, J Athene; Altman, Douglas G; Baigent, Colin; Bliss, Judith M; Campbell, Marion K; Elbourne, Diana; Evans, Stephen; Sandercock, Peter; Gamble, Carrol

2015-12-30

The independent oversight of clinical trials, which is recommended by the Medical Research Council (MRC) Guidelines for Good Clinical Practice, is typically provided by an independent advisory Data Monitoring Committee (DMC) and an independent executive committee, to whom the DMC makes recommendations. The detailed roles and function of this executive committee, known as the Trial Steering Committee (TSC), have not previously been studied or reviewed since those originally proposed by the MRC in 1998. An expert panel (n = 7) was convened comprising statisticians, clinicians and trial methodologists with prior TSC experience. Twelve questions about the role and responsibilities of the TSC were discussed by the panel at two full-day meetings. Each meeting was transcribed in full and the discussions were summarised. The expert panel reached agreement on the role of the TSC, to which it was accountable, the membership, the definition of independence, and the experience and training needed. The management of ethical issues, difficult/complex situations and issues the TSC should not ask the DMC to make recommendations on were more difficult to discuss without specific examples, but support existed for further work to help share issues and to provide appropriate training for TSC members. Additional topics discussed, which had not been identified by previous work relating to the DMCs but were pertinent to the role of the TSC, included the following: review of data sharing requests, indemnity, lifespan of the TSC, general TSC administration, and the roles of both the Funder and the Sponsor. This paper presents recommendations that will contribute to the revision and update of the MRC TSC terms of reference. Uncertainty remains in some areas due to the absence of real-life examples; future guidance on these issues would benefit from a repository of case studies. Notably, the role of a patient and public involvement (PPI) contributor was not discussed, and further work is warranted to explore the role of a PPI contributor in independent trial oversight.

To what extent clay mineralogy affect soil aggregation? Insights from fractionation analyses conducted on soils under different land-uses.

NASA Astrophysics Data System (ADS)

Fernandez-Ugalde, O.; Barré, P.; Hubert, F.; Virto, I.; Girardin, C.; Ferrage, E.; Caner, L.; Chenu, C.

2012-04-01

Aggregation is a key process for soil functioning as it influences C storage, vulnerability to erosion and water holding capacity. While the influence of soil C content or tillage on aggregation has been documented, much less is known about the role of soil mineralogy. The aim of this study is to determine quantitatively if different clay minerals of a temperate soil contribute differently to aggregation and if their contribution is modulated by soil management. We compared the aggregate-size distribution of three cropping systems in a silt loam soil in Versailles (France): organic cropping system (ORG, tilled yearly), direct seeding mulch-based cropping system (DMC, tilled every 4 years), both from a long-term trial, and a nearby grassland. Soil samples from 0-5 cm were wet-sieved to 5 mm and air-dried before aggregate-size separation. For each aggregate class, fraction <2 µm was separated and analysed using X-ray diffraction. Organic C content was determined both in aggregates and <2-µm fractions. C content was lower in ORG than in the two other treatments. The proportion of large-macroaggregates (500-5000 µm) was greater in DMC and grassland; while microaggregates (50-250 µm) showed greater proportions in ORG. In the three treatments, microaggregates had the greatest amount of clays, with preferential accumulation of smectitic phases. In grassland, clays from all aggregated fractions showed more smectitic phases than free-clay fraction. The results indicate that smectitic phases contributed particularly to the microaggregates dynamics. Their contribution to aggregation was lower for larger aggregate sizes where the influence of organic matter was preponderant. Moreover, it was observed that cultivation (ORG and DMC treatments) reduced the relative enrichment of smectitic phases in stable aggregates which makes them more vulnerable to slaking erosion and alters their physico-chemical functions.

Seismic isolation systems with distinct multiple frequencies

DOEpatents

Wu, Ting-shu; Seidensticker, Ralph W.

1990-01-01

A method and apparatus for isolating a building or other structure from smic vibratory motion which provides increased assurance that large horizontal motion of the structure will not occur than is provided by other isolation systems. Increased assurance that large horizontal motion will not occur is achieved by providing for change of the natural frequency of the support and structure system in response to displacement of the structure beyond a predetermined value. The natural frequency of the support and structure system may be achieved by providing for engaging and disengaging of the structure and some supporting members in response to motion of the supported structure.

Causal evidence for retina dependent and independent visual motion computations in mouse cortex

PubMed Central

Hillier, Daniel; Fiscella, Michele; Drinnenberg, Antonia; Trenholm, Stuart; Rompani, Santiago B.; Raics, Zoltan; Katona, Gergely; Juettner, Josephine; Hierlemann, Andreas; Rozsa, Balazs; Roska, Botond

2017-01-01

How neuronal computations in the sensory periphery contribute to computations in the cortex is not well understood. We examined this question in the context of visual-motion processing in the retina and primary visual cortex (V1) of mice. We disrupted retinal direction selectivity – either exclusively along the horizontal axis using FRMD7 mutants or along all directions by ablating starburst amacrine cells – and monitored neuronal activity in layer 2/3 of V1 during stimulation with visual motion. In control mice, we found an overrepresentation of cortical cells preferring posterior visual motion, the dominant motion direction an animal experiences when it moves forward. In mice with disrupted retinal direction selectivity, the overrepresentation of posterior-motion-preferring cortical cells disappeared, and their response at higher stimulus speeds was reduced. This work reveals the existence of two functionally distinct, sensory-periphery-dependent and -independent computations of visual motion in the cortex. PMID:28530661

A stochastic model for correlated protein motions

NASA Astrophysics Data System (ADS)

Karain, Wael I.; Qaraeen, Nael I.; Ajarmah, Basem

2006-06-01

A one-dimensional Langevin-type stochastic difference equation is used to find the deterministic and Gaussian contributions of time series representing the projections of a Bovine Pancreatic Trypsin Inhibitor (BPTI) protein molecular dynamics simulation along different eigenvector directions determined using principal component analysis. The deterministic part shows a distinct nonlinear behavior only for eigenvectors contributing significantly to the collective protein motion.

Who was that masked man? Conjoint representations of intrinsic motions with actor appearance.

PubMed

Kersten, Alan W; Earles, Julie L; Negri, Leehe

2018-09-01

Motion plays an important role in recognising animate creatures. This research supports a distinction between intrinsic and extrinsic motions in their relationship to identifying information about the characters performing the motions. Participants viewed events involving costumed human characters. Intrinsic motions involved relative movements of a character's body parts, whereas extrinsic motions involved movements with respect to external landmarks. Participants were later tested for recognition of the motions and who had performed them. The critical test items involved familiar characters performing motions that had previously been performed by other characters. Participants falsely recognised extrinsic conjunction items, in which characters followed the paths of other characters, more often than intrinsic conjunction items, in which characters moved in the manner of other characters. In contrast, participants falsely recognised new extrinsic motions less often than new intrinsic motions, suggesting that they remembered extrinsic motions but had difficulty remembering who had performed them. Modelling of receiver operating characteristics indicated that participants discriminated old items from intrinsic conjunction items via familiarity, consistent with conjoint representations of intrinsic motion and identity information. In contrast, participants used recollection to distinguish old items from extrinsic conjunction items, consistent with separate but associated representations of extrinsic motion and identity information.

Quantitative analysis of random ameboid motion

NASA Astrophysics Data System (ADS)

Bödeker, H. U.; Beta, C.; Frank, T. D.; Bodenschatz, E.

2010-04-01

We quantify random migration of the social ameba Dictyostelium discoideum. We demonstrate that the statistics of cell motion can be described by an underlying Langevin-type stochastic differential equation. An analytic expression for the velocity distribution function is derived. The separation into deterministic and stochastic parts of the movement shows that the cells undergo a damped motion with multiplicative noise. Both contributions to the dynamics display a distinct response to external physiological stimuli. The deterministic component depends on the developmental state and ambient levels of signaling substances, while the stochastic part does not.

Illustrator Draftsman 1 and C. Rate Training Manual. Revised 1973.

ERIC Educational Resources Information Center

Naval Training Publications Detachment, Washington, DC.

The training manual is intended to serve as an aid for men who are seeking to acquire the theoretical knowledge and the operational skills required of candidates for advancement to Illustrator Draftsman First Class (DM 1) or Chief Illustrator Draftsman (DMC). It includes subject matter that is related to both the knowledge factors and the…

Patterns of fMRI activity dissociate overlapping functional brain areas that respond to biological motion.

PubMed

Peelen, Marius V; Wiggett, Alison J; Downing, Paul E

2006-03-16

Accurate perception of the actions and intentions of other people is essential for successful interactions in a social environment. Several cortical areas that support this process respond selectively in fMRI to static and dynamic displays of human bodies and faces. Here we apply pattern-analysis techniques to arrive at a new understanding of the neural response to biological motion. Functionally defined body-, face-, and motion-selective visual areas all responded significantly to "point-light" human motion. Strikingly, however, only body selectivity was correlated, on a voxel-by-voxel basis, with biological motion selectivity. We conclude that (1) biological motion, through the process of structure-from-motion, engages areas involved in the analysis of the static human form; (2) body-selective regions in posterior fusiform gyrus and posterior inferior temporal sulcus overlap with, but are distinct from, face- and motion-selective regions; (3) the interpretation of region-of-interest findings may be substantially altered when multiple patterns of selectivity are considered.

The partially filled viscous ring damper.

NASA Technical Reports Server (NTRS)

Alfriend, K. T.

1973-01-01

The problem of a spinning satellite with a partially filled viscous ring damper is investigated. It is shown that there are two distinct modes of motion, the nutation-synchronous mode and spin-synchronous mode. From an approximate solution of the equations of motion a time constant is obtained for each mode. From a consideration of the fluid dynamics several methods are developed for determining the damping constant.

Universal Development and L1-L2 Convergence in Bilingual Construal of Manner in Speech and Gesture in Mandarin, Japanese, and English

ERIC Educational Resources Information Center

Brown, Amanda

2015-01-01

This article investigates bilingual versus monolingual construal of manner of motion in speech and gesture across three languages--Mandarin, Japanese, and English--argued to be typologically distinct in speech and co-speech gesture (Brown & Chen, 2013; McNeill, 2001; Slobin, 2004b; Talmy, 1991). Narrative descriptions of motion were elicited…

An analysis toolbox to explore mesenchymal migration heterogeneity reveals adaptive switching between distinct modes

PubMed Central

Shafqat-Abbasi, Hamdah; Kowalewski, Jacob M; Kiss, Alexa; Gong, Xiaowei; Hernandez-Varas, Pablo; Berge, Ulrich; Jafari-Mamaghani, Mehrdad; Lock, John G; Strömblad, Staffan

2016-01-01

Mesenchymal (lamellipodial) migration is heterogeneous, although whether this reflects progressive variability or discrete, 'switchable' migration modalities, remains unclear. We present an analytical toolbox, based on quantitative single-cell imaging data, to interrogate this heterogeneity. Integrating supervised behavioral classification with multivariate analyses of cell motion, membrane dynamics, cell-matrix adhesion status and F-actin organization, this toolbox here enables the detection and characterization of two quantitatively distinct mesenchymal migration modes, termed 'Continuous' and 'Discontinuous'. Quantitative mode comparisons reveal differences in cell motion, spatiotemporal coordination of membrane protrusion/retraction, and how cells within each mode reorganize with changed cell speed. These modes thus represent distinctive migratory strategies. Additional analyses illuminate the macromolecular- and cellular-scale effects of molecular targeting (fibronectin, talin, ROCK), including 'adaptive switching' between Continuous (favored at high adhesion/full contraction) and Discontinuous (low adhesion/inhibited contraction) modes. Overall, this analytical toolbox now facilitates the exploration of both spontaneous and adaptive heterogeneity in mesenchymal migration. DOI: http://dx.doi.org/10.7554/eLife.11384.001 PMID:26821527

Learning of Syllable-Object Relations by Preverbal Infants: The Role of Temporal Synchrony and Syllable Distinctiveness

ERIC Educational Resources Information Center

Gogate, Lakshmi J.

2010-01-01

The role of temporal synchrony and syllable distinctiveness in preverbal infants' learning of word-object relations was investigated. In Experiment 1, 7- and 8-month-olds (N=64) were habituated under conditions where two "similar-sounding" syllables, /tah/ and /gah/, were spoken simultaneously with the motions of one of two sets of…

The Verriest Lecture: Color lessons from space, time, and motion

PubMed Central

Shevell, Steven K.

2012-01-01

The appearance of a chromatic stimulus depends on more than the wavelengths composing it. The scientific literature has countless examples showing that spatial and temporal features of light influence the colors we see. Studying chromatic stimuli that vary over space, time or direction of motion has a further benefit beyond predicting color appearance: the unveiling of otherwise concealed neural processes of color vision. Spatial or temporal stimulus variation uncovers multiple mechanisms of brightness and color perception at distinct levels of the visual pathway. Spatial variation in chromaticity and luminance can change perceived three-dimensional shape, an example of chromatic signals that affect a percept other than color. Chromatic objects in motion expose the surprisingly weak link between the chromaticity of objects and their physical direction of motion, and the role of color in inducing an illusory motion direction. Space, time and motion – color’s colleagues – reveal the richness of chromatic neural processing. PMID:22330398

Interaction and dynamics of homologous pairing protein 2 (HOP2) and DNA studied by MD simulation

NASA Astrophysics Data System (ADS)

Moktan, Hem; Pezza, Roberto; Zhou, Donghua

2015-03-01

The homologous pairing protein 2 (Hop2) plays an important role in meiosis and DNA repair. Together with protein Mnd1, Hop2 enhances the strand invasion activity of recombinase Dmc1 by over 30 times, facilitating proper synapsis of homologous chromosomes. We recently determined the NMR structure of the N-terminal domain of Hop2 and proposed a model of Protein-DNA complex based on NMR chemical shift perturbations and mutagenesis studies (Moktan, J Biol Chem 2014 10.1074/jbc.M114.548180). However structure and dynamics of the complex have not been studied at the atomic level yet. Here, we used classical MD simulations to study the interactions between the N-terminal HOP2 and DNA. The simulated results indicate that helix3 (H3) interacts with DNA in major groove and wing1 (W1) interacts mostly in minor groove mainly via direct hydrogen bonds. Also it is found that binding leads to reduced fluctuations in both protein and DNA. Several water bridge interactions have been identified. The residue-wise contributions to the interaction energy were evaluated. Also the functional motion of the protein is analyzed using principal component analysis. The results confirmed the importance of H3 and W1 for the stability of the complex, which is consistent with our previous experimental studies.

Understanding transport mechanisms in ionic liquid/carbonate solvent electrolyte blends.

PubMed

Oldiges, K; Diddens, D; Ebrahiminia, M; Hooper, J B; Cekic-Laskovic, I; Heuer, A; Bedrov, D; Winter, M; Brunklaus, G

2018-06-20

To unravel mechanistic details of the ion transport in liquid electrolytes, blends of the ionic liquid (IL) 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (Pyr14TFSI), ethylene carbonate (EC) and dimethyl carbonate (DMC) with the conducting salts lithium hexafluorophosphate (LiPF6) and lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) were investigated as a function of the IL concentration. Electrochemical impedance, Pulsed Field Gradient Nuclear Magnetic Resonance (PFG NMR) and Raman spectroscopy supported by Molecular Dynamics (MD) simulations allowed the structural and dynamic correlations of the ion motions to be probed. Remarkably, we identified that though the individual correlations among different ion types exhibit a clear concentration dependence, their net effect is nearly constant throughout the entire concentration range, resulting in approximately equal transport and transference numbers, despite a monitored cross-over from carbonate-based lithium coordination to a TFSI-based ion coordination. In addition, though dynamical ion correlation could be found, the absolute values of the ionic conductivity are essentially determined by the overall viscosity of the electrolyte. The IL/carbonate blends with a Pyr14TFSI fraction of ∼10 wt% are found to be promising electrolyte solvents, with ionic conductivities and lithium ion transference numbers comparable to those of standard carbonate-based electrolytes while the thermal and electrochemical stabilities are considerably improved. In contrast, the choice of the conducting salt only marginally affects the transport properties.

Utah's Regional/Urban ANSS Seismic Network---Strategies and Tools for Quality Performance

NASA Astrophysics Data System (ADS)

Burlacu, R.; Arabasz, W. J.; Pankow, K. L.; Pechmann, J. C.; Drobeck, D. L.; Moeinvaziri, A.; Roberson, P. M.; Rusho, J. A.

2007-05-01

The University of Utah's regional/urban seismic network (224 stations recorded: 39 broadband, 87 strong-motion, 98 short-period) has become a model for locally implementing the Advanced National Seismic System (ANSS) because of successes in integrating weak- and strong-motion recording and in developing an effective real-time earthquake information system. Early achievements included implementing ShakeMap, ShakeCast, point-to- multipoint digital telemetry, and an Earthworm Oracle database, as well as in-situ calibration of all broadband and strong-motion stations and submission of all data and metadata into the IRIS DMC. Regarding quality performance, our experience as a medium-size regional network affirms the fundamental importance of basics such as the following: for data acquisition, deliberate attention to high-quality field installations, signal quality, and computer operations; for operational efficiency, a consistent focus on professional project management and human resources; and for customer service, healthy partnerships---including constant interactions with emergency managers, engineers, public policy-makers, and other stakeholders as part of an effective state earthquake program. (Operational cost efficiencies almost invariably involve trade-offs between personnel costs and the quality of hardware and software.) Software tools that we currently rely on for quality performance include those developed by UUSS (e.g., SAC and shell scripts for estimating local magnitudes) and software developed by other organizations such as: USGS (Earthworm), University of Washington (interactive analysis software), ISTI (SeisNetWatch), and IRIS (PDCC, BUD tools). Although there are many pieces, there is little integration. One of the main challenges we face is the availability of a complete and coherent set of tools for automatic and post-processing to assist in achieving the goals/requirements set forth by ANSS. Taking our own network---and ANSS---to the next level will require standardized, well-designed, and supported software. Other advances in seismic network performance will come from diversified instrumentation. We have recently shown the utility of incorporating strong-motion data (even from soil sites) into the routine analysis of local seismicity, and have also collocated an acoustic array with a broadband seismic station (in collaboration with Southern Methodist University). For the latter experiment, the purpose of collocated seismic and infrasound sensors is to (1) further an understanding of the physics associated with the generation and the propagation of seismic and low-frequency acoustic energy from shallow sources and (2) explore the potential for blast discrimination and improved source location using seismic and infrasonic data in a synergetic way.

Quantitative framework for prospective motion correction evaluation.

PubMed

Pannetier, Nicolas A; Stavrinos, Theano; Ng, Peter; Herbst, Michael; Zaitsev, Maxim; Young, Karl; Matson, Gerald; Schuff, Norbert

2016-02-01

Establishing a framework to evaluate performances of prospective motion correction (PMC) MRI considering motion variability between MRI scans. A framework was developed to obtain quantitative comparisons between different motion correction setups, considering that varying intrinsic motion patterns between acquisitions can induce bias. Intrinsic motion was considered by replaying in a phantom experiment the recorded motion trajectories from subjects. T1-weighted MRI on five volunteers and two different marker fixations (mouth guard and nose bridge fixations) were used to test the framework. Two metrics were investigated to quantify the improvement of the image quality with PMC. Motion patterns vary between subjects as well as between repeated scans within a subject. This variability can be approximated by replaying the motion in a distinct phantom experiment and used as a covariate in models comparing motion corrections. We show that considering the intrinsic motion alters the statistical significance in comparing marker fixations. As an example, two marker fixations, a mouth guard and a nose bridge, were evaluated in terms of their effectiveness for PMC. A mouth guard achieved better PMC performance. Intrinsic motion patterns can bias comparisons between PMC configurations and must be considered for robust evaluations. A framework for evaluating intrinsic motion patterns in PMC is presented. © 2015 Wiley Periodicals, Inc.

Complete Genome Sequence of Dehalobacterium formicoaceticum Strain DMC, a Strictly Anaerobic Dichloromethane-Degrading Bacterium

DOE PAGES

Chen, Gao; Murdoch, Robert W.; Mack, E. Erin; ...

2017-09-14

Dehalobacterium formicoaceticum utilizes dichloromethane as the sole energy source in defined anoxic bicarbonate-buffered mineral salt medium. The products are formate, acetate, inorganic chloride, and biomass. The bacterium’s genome was sequenced using PacBio, assembled, and annotated. The complete genome consists of one 3.77-Mb circular chromosome harboring 3,935 predicted protein-encoding genes.

Complete Genome Sequence of Dehalobacterium formicoaceticum Strain DMC, a Strictly Anaerobic Dichloromethane-Degrading Bacterium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Gao; Murdoch, Robert W.; Mack, E. Erin

Dehalobacterium formicoaceticum utilizes dichloromethane as the sole energy source in defined anoxic bicarbonate-buffered mineral salt medium. The products are formate, acetate, inorganic chloride, and biomass. The bacterium’s genome was sequenced using PacBio, assembled, and annotated. The complete genome consists of one 3.77-Mb circular chromosome harboring 3,935 predicted protein-encoding genes.

Process for tertiary oil recovery using tall oil pitch

DOEpatents

Radke, C.J.

1983-07-25

A process and compositions for enhancing the recovery of acid crudes are disclosed. The process involves injecting caustic solutions into the reservoir to maintain a pH of 11 to 13. The fluid contains an effective amount of multivalent cation for inhibiting alkaline silica dissolution with the reservoir. A tall oil pitch soap is added as a polymeric mobility control agent. (DMC)

Neonatal phototherapy radiometers: current performance characteristics and future requirements.

PubMed

Clarkson, Douglas McG; Nicol, Ruth; Chapman, Phillip

2014-04-01

Hand held radiometers provide a convenient means of monitoring the output of neonatal phototherapy treatment devices as part of planned programs of device maintenance and output monitoring. It was considered appropriate to determine the wavelength and angular response of a selection of such meters and compare their indicated values with that derived from spectral analysis of phototherapy light sources. This was undertaken using a Bentham DMc150 double grating spectroradiometer and a series of 10nm band pass optical filters in the range 400-640 nm used in conjunction with a fiber optic light source. Specific meters investigated included a GE Biliblanket Light Meter II, a NeoBLUE radiometer and a Bio-TEK radiometer 74345 device. Comparisons were made of measurements made using the hand held meters and the Bentham DMc 150 system for a range of neonatal phototherapy treatment devices. The use of such meters is discussed in relation to applicable equipment standards and recommendations of intensive phototherapy from clinical groups such as the American Academy of Pediatrics and a specification for a spectroradiometer based measurement system is proposed. Copyright © 2013 IPEM. Published by Elsevier Ltd. All rights reserved.

Measurement of the through thickness compression of a battery separator

NASA Astrophysics Data System (ADS)

Yan, Shutian; Huang, Xiaosong; Xiao, Xinran

2018-04-01

The mechanical integrity of the separator is critical to the reliable operation of a battery. Due to its minimal thickness, compression experiments with a single/a few layers of separator are difficult to perform. In this work, a capacitance based displacement set-up has been developed for the measurement of the through thickness direction (TTD) compression stress-strain behavior of the separator and the investigation of its interaction with the electrode. The experiments were performed for a stack of two layers of Celgard 2400 separator, NMC cathode, and separator/NMC cathode/separator stack in both dry and wet (i.e. submersed in dimethyl carbonate DMC) conditions. The experimental results reveal that the separator compression modulus can be significantly affected by the presence of DMC. The iso-stress based rule of mixtures was used to compute the compressive stress-strain curve for the stack from that of the separator and NMC layer. The computed curve agreed with the experimental curve reasonably well up to about 0.16 strain but deviated significantly to a softer response at higher strains. The results suggest that, in the stack, the TTD compressive deformation of the separator is influenced by the NMC cathode.

Spectroscopic Investigation of the Electrosynthesis of Diphenyl Carbonate from CO and Phenol on Gold Electrodes

PubMed Central

2018-01-01

In this work, we study the synthesis of diphenyl carbonate (DPC) from phenol and CO on gold electrodes studied by means of in situ Fourier transform infrared spectroscopy (FTIR). The results show that, on gold electrodes, the formation of DPC is observed at potentials as low as 0.4 V vs Ag/AgCl, together with the formation of dimethyl carbonate (DMC) from the carbonylation of methanol that was used as a solvent. The spectroelectrochemical results also suggest that the formation of DPC occurs via the replacement of the methoxy groups from DMC with phenoxy groups from phenol and not directly by the carbonylation of phenol. Although this transesterification process is known to occur with heterogeneous catalysts, it has not been reported under electrochemical conditions. These are interesting findings, since the direct DPC production by carbonylation of phenol to DPC is usually performed with Pd-based catalysts. With this reaction scheme of transesterification happening under electrochemical conditions, other non-Pd catalysts could be used as well for one-step DPC production from phenol and CO. These findings give important mechanistic insights into this reaction and open up possibilities to an alternative process for the production of DPC. PMID:29657886

Spin-driven structural effects in alkali doped (4)He clusters from quantum calculations.

PubMed

Bovino, S; Coccia, E; Bodo, E; Lopez-Durán, D; Gianturco, F A

2009-06-14

In this paper, we carry out variational Monte Carlo and diffusion Monte Carlo (DMC) calculations for Li(2)((1)Sigma(g) (+))((4)He)(N) and Li(2)((3)Sigma(u) (+))((4)He)(N) with N up to 30 and discuss in detail the results of our computations. After a comparison between our DMC energies with the "exact" discrete variable representation values for the species with one (4)He, in order to test the quality of our computations at 0 K, we analyze the structural features of the whole range of doped clusters. We find that both species reside on the droplet surface, but that their orientation is spin driven, i.e., the singlet molecule is perpendicular and the triplet one is parallel to the droplet's surface. We have also computed quantum vibrational relaxation rates for both dimers in collision with a single (4)He and we find them to differ by orders of magnitude at the estimated surface temperature. Our results therefore confirm the findings from a great number of experimental data present in the current literature and provide one of the first attempts at giving an accurate, fully quantum picture for the nanoscopic properties of alkali dimers in (4)He clusters.

Scale-dependent diffusion anisotropy in nanoporous silicon

PubMed Central

Kondrashova, Daria; Lauerer, Alexander; Mehlhorn, Dirk; Jobic, Hervé; Feldhoff, Armin; Thommes, Matthias; Chakraborty, Dipanjan; Gommes, Cedric; Zecevic, Jovana; de Jongh, Petra; Bunde, Armin; Kärger, Jörg; Valiullin, Rustem

2017-01-01

Nanoporous silicon produced by electrochemical etching of highly B-doped p-type silicon wafers can be prepared with tubular pores imbedded in a silicon matrix. Such materials have found many technological applications and provide a useful model system for studying phase transitions under confinement. This paper reports a joint experimental and simulation study of diffusion in such materials, covering displacements from molecular dimensions up to tens of micrometers with carefully selected probe molecules. In addition to mass transfer through the channels, diffusion (at much smaller rates) is also found to occur in directions perpendicular to the channels, thus providing clear evidence of connectivity. With increasing displacements, propagation in both axial and transversal directions is progressively retarded, suggesting a scale-dependent, hierarchical distribution of transport resistances (“constrictions” in the channels) and of shortcuts (connecting “bridges”) between adjacent channels. The experimental evidence from these studies is confirmed by molecular dynamics (MD) simulation in the range of atomistic displacements and rationalized with a simple model of statistically distributed “constrictions” and “bridges” for displacements in the micrometer range via dynamic Monte Carlo (DMC) simulation. Both ranges are demonstrated to be mutually transferrable by DMC simulations based on the pore space topology determined by electron tomography. PMID:28106047

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christensen, H. M.; Jake, L. C.; Curotto, E., E-mail: curotto@arcadia.edu

2016-05-07

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n–dipoles clusters in themore » n = 8–20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.« less

Lithium-ion battery electrolyte emissions analyzed by coupled thermogravimetric/Fourier-transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Bertilsson, Simon; Larsson, Fredrik; Furlani, Maurizio; Albinsson, Ingvar; Mellander, Bengt-Erik

2017-10-01

In the last few years the use of Li-ion batteries has increased rapidly, powering small as well as large applications, from electronic devices to power storage facilities. The Li-ion battery has, however, several safety issues regarding occasional overheating and subsequent thermal runaway. During such episodes, gas emissions from the electrolyte are of special concern because of their toxicity, flammability and the risk for gas explosion. In this work, the emissions from heated typical electrolyte components as well as from commonly used electrolytes are characterized using FT-IR spectroscopy and FT-IR coupled with thermogravimetric (TG) analysis, when heating up to 650 °C. The study includes the solvents EC, PC, DEC, DMC and EA in various single, binary and ternary mixtures with and without the LiPF6 salt, a commercially available electrolyte, (LP71), containing EC, DEC, DMC and LiPF6 as well as extracted electrolyte from a commercial 6.8 Ah Li-ion cell. Upon thermal heating, emissions of organic compounds and of the toxic decomposition products hydrogen fluoride (HF) and phosphoryl fluoride (POF3) were detected. The electrolyte and its components have also been extensively analyzed by means of infrared spectroscopy for identification purposes.

Calculating Potential Energy Curves with Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2014-06-01

Quantum Monte Carlo (QMC) is a computational technique that can be applied to the electronic Schrödinger equation for molecules. QMC methods such as Variational Monte Carlo (VMC) and Diffusion Monte Carlo (DMC) have demonstrated the capability of capturing large fractions of the correlation energy, thus suggesting their possible use for high-accuracy quantum chemistry calculations. QMC methods scale particularly well with respect to parallelization making them an attractive consideration in anticipation of next-generation computing architectures which will involve massive parallelization with millions of cores. Due to the statistical nature of the approach, in contrast to standard quantum chemistry methods, uncertainties (error-bars) are associated with each calculated energy. This study focuses on the cost, feasibility and practical application of calculating potential energy curves for small molecules with QMC methods. Trial wave functions were constructed with the multi-configurational self-consistent field (MCSCF) method from GAMESS-US.[1] The CASINO Monte Carlo quantum chemistry package [2] was used for all of the DMC calculations. An overview of our progress in this direction will be given. References: M. W. Schmidt et al. J. Comput. Chem. 14, 1347 (1993). R. J. Needs et al. J. Phys.: Condensed Matter 22, 023201 (2010).

High-temperature high-pressure properties of silica from Quantum Monte Carlo and Density Functional Perturbation Theory

NASA Astrophysics Data System (ADS)

Cohen, R. E.; Driver, K.; Wu, Z.; Militzer, B.; Rios, P. L.; Towler, M.; Needs, R.

2009-03-01

We have used diffusion quantum Monte Carlo (DMC) with the CASINO code with thermal free energies from phonons computed using density functional perturbation theory (DFPT) with the ABINIT code to obtain phase transition curves and thermal equations of state of silica phases under pressure. We obtain excellent agreement with experiments for the metastable phase transition from quartz to stishovite. The local density approximation (LDA) incorrectly gives stishovite as the ground state. The generalized gradient approximation (GGA) correctly gives quartz as the ground state, but does worse than LDA for the equations of state. DMC, variational quantum Monte Carlo (VMC), and DFT all give good results for the ferroelastic transition of stishovite to the CaCl2 structure, and LDA or the WC exchange correlation potentials give good results within a given silica phase. The δV and δH from the CaCl2 structure to α-PbO2 is small, giving uncertainly in the theoretical transition pressure. It is interesting that DFT has trouble with silica transitions, although the electronic structures of silica are insulating, simple closed-shell with ionic/covalent bonding. It seems like the errors in DFT are from not precisely giving the ion sizes.

A dynamic Monte Carlo study of anomalous current voltage behaviour in organic solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feron, K., E-mail: Krishna.Feron@csiro.au; Fell, C. J.; CSIRO Energy Flagship, Newcastle, NSW 2300

2014-12-07

We present a dynamic Monte Carlo (DMC) study of s-shaped current-voltage (I-V) behaviour in organic solar cells. This anomalous behaviour causes a substantial decrease in fill factor and thus power conversion efficiency. We show that this s-shaped behaviour is induced by charge traps that are located at the electrode interface rather than in the bulk of the active layer, and that the anomaly becomes more pronounced with increasing trap depth or density. Furthermore, the s-shape anomaly is correlated with interface recombination, but not bulk recombination, thus highlighting the importance of controlling the electrode interface. While thermal annealing is known tomore » remove the s-shape anomaly, the reason has been not clear, since these treatments induce multiple simultaneous changes to the organic solar cell structure. The DMC modelling indicates that it is the removal of aluminium clusters at the electrode, which act as charge traps, that removes the anomalous I-V behaviour. Finally, this work shows that the s-shape becomes less pronounced with increasing electron-hole recombination rate; suggesting that efficient organic photovoltaic material systems are more susceptible to these electrode interface effects.« less

Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H7+/D7+ clusters using an ab initio potential energy surface.

PubMed

Barragán, Patricia; Pérez de Tudela, Ricardo; Qu, Chen; Prosmiti, Rita; Bowman, Joel M

2013-07-14

Diffusion Monte Carlo (DMC) and path-integral Monte Carlo computations of the vibrational ground state and 10 K equilibrium state properties of the H7 (+)/D7 (+) cations are presented, using an ab initio full-dimensional potential energy surface. The DMC zero-point energies of dissociated fragments H5 (+)(D5 (+))+H2(D2) are also calculated and from these results and the electronic dissociation energy, dissociation energies, D0, of 752 ± 15 and 980 ± 14 cm(-1) are reported for H7 (+) and D7 (+), respectively. Due to the known error in the electronic dissociation energy of the potential surface, these quantities are underestimated by roughly 65 cm(-1). These values are rigorously determined for first time, and compared with previous theoretical estimates from electronic structure calculations using standard harmonic analysis, and available experimental measurements. Probability density distributions are also computed for the ground vibrational and 10 K state of H7 (+) and D7 (+). These are qualitatively described as a central H3 (+)/D3 (+) core surrounded by "solvent" H2/D2 molecules that nearly freely rotate.

The Use, Evolution and Lessons Learnt of Deployable Static Solar Array Mechanisms

NASA Technical Reports Server (NTRS)

Ferris, Mark; Haslehurst, Andrew

2014-01-01

This paper focuses on the mechanisms incorporated into SSTL's static deployable arrays; namely the sprung-hinges and hold down and release mechanism (HDRM). Combined, the HDRM and hinges form the hold down release system (HDRS). The deployable static solar array HDRS has been successfully used on several missions, first launched upon the DMC-CFESAT spacecraft in 2007 for a U.S. customer (Figure 1), and later used on DMC-UK2 and EXACTVIEW-1 launched in 2009 and 2012, respectively. The simple, robust and low-cost solution HDRS has been evident in allowing missions to satisfy an ever increasing power demand, allowing the solar arrays to increase in size and have a preferable sun angle for increased cell efficiency. The system is now being employed on the first mission out of SSTL's U.S. office (SST-US) on the Orbital Test Bed platform. This paper shall cover details of the original design and development program, problems incurred on latter missions, and evolution of the HDRS for the present Orbital Test Bed mission. Both the original development and recent evolutions have taken place in rapid timescales, to satisfy the high-turnaround of SSTL missions.

Carbon Materials Embedded with Metal Nanoparticles as Anode in Lithium-Ion Batteries

NASA Technical Reports Server (NTRS)

Hung, Ching-cheh

2002-01-01

Carbon materials containing metal nanoparticles that can form an alloy with lithium were tested for their capacity and cycle life to store and release lithium electrochemically. Metal nanoparticles may provide the additional lithium storage capacity as well as additional channels to conduct lithium in carbon. The cycle life of this carbon-metal composite can be long because the solid-electrolyte interface (SEI) on the carbon surface may protect both lithium and the metal particles in the carbon interior. In addition, the voids in the carbon interior may accommodate the nanoparticle's volume change, and such volume change may not cause much internal stress due to small sizes of the nanoparticles. This concept of improving carbon's performance to store and release lithium was demonstrated using experimental cells of C(Pd)/0.5M Lil-50/50 (vol.%) EC and DMC/Li, where C(Pd) was graphitized carbon fibers containing palladium nanoparticles, EC was ethylene carbonate, and DMC was dimethyl carbonate. However, such improvement was not observed if the Pd nanoparticles are replaced by aluminum, possibly because the aluminum nanoparticles were oxidized in air during storage, resulting in an inert oxide of aluminum. Further studies are needed to use this concept for practical applications.

Fractional Brownian motion and motion governed by the fractional Langevin equation in confined geometries.

PubMed

Jeon, Jae-Hyung; Metzler, Ralf

2010-02-01

Motivated by subdiffusive motion of biomolecules observed in living cells, we study the stochastic properties of a non-Brownian particle whose motion is governed by either fractional Brownian motion or the fractional Langevin equation and restricted to a finite domain. We investigate by analytic calculations and simulations how time-averaged observables (e.g., the time-averaged mean-squared displacement and displacement correlation) are affected by spatial confinement and dimensionality. In particular, we study the degree of weak ergodicity breaking and scatter between different single trajectories for this confined motion in the subdiffusive domain. The general trend is that deviations from ergodicity are decreased with decreasing size of the movement volume and with increasing dimensionality. We define the displacement correlation function and find that this quantity shows distinct features for fractional Brownian motion, fractional Langevin equation, and continuous time subdiffusion, such that it appears an efficient measure to distinguish these different processes based on single-particle trajectory data.

Glaciated valleys in Europe and western Asia

PubMed Central

Prasicek, Günther; Otto, Jan-Christoph; Montgomery, David R.; Schrott, Lothar

2015-01-01

In recent years, remote sensing, morphometric analysis, and other computational concepts and tools have invigorated the field of geomorphological mapping. Automated interpretation of digital terrain data based on impartial rules holds substantial promise for large dataset processing and objective landscape classification. However, the geomorphological realm presents tremendous complexity and challenges in the translation of qualitative descriptions into geomorphometric semantics. Here, the simple, conventional distinction of V-shaped fluvial and U-shaped glacial valleys was analyzed quantitatively using multi-scale curvature and a novel morphometric variable termed Difference of Minimum Curvature (DMC). We used this automated terrain analysis approach to produce a raster map at a scale of 1:6,000,000 showing the distribution of glaciated valleys across Europe and western Asia. The data set has a cell size of 3 arc seconds and consists of more than 40 billion grid cells. Glaciated U-shaped valleys commonly associated with erosion by warm-based glaciers are abundant in the alpine regions of mid Europe and western Asia but also occur at the margins of mountain ice sheets in Scandinavia. The high-level correspondence with field mapping and the fully transferable semantics validate this approach for automated analysis of yet unexplored terrain around the globe and qualify for potential applications on other planetary bodies like Mars. PMID:27019665

An estimate of human and natural contributions to changes in water resources in the upper reaches of the Minjiang River.

PubMed

Hou, Jingwen; Ye, Aizhong; You, Jinjun; Ma, Feng; Duan, Qingyun

2018-09-01

Climate change and human activities have changed the spatial-temporal distribution of water resources, especially in a fragile ecological area such as the upper reaches of the Minjiang River (UMR) basin, where they have had a more profound effect. The average of double-mass curve (DMC) and Distributed Time-Variant Gain Hydrological Model (DTVGM) are applied to distinguish between the impacts of climate change and human activities on water resources in this paper. Results indicated that water resources decreased over nearly 50 years in the UMR. At the annual scale, contributions of human activities and climate change to changes in discharge were -77% and 23%, respectively. In general, human activities decreased the availability of water resources, whereas climate change increased the availability of water resources. However, the impacts of human activities and climate change on water resources availability were distinctly different on annual versus seasonal scales, and they showed more inconsistency in summer and autumn. The main causes of decreasing water resources are reservoir regulation, and water use increases due to population growth. The results of this study can provide support for water resource management and sustainable development in the UMR basin. Copyright © 2018 Elsevier B.V. All rights reserved.

The two-dimensional Monte Carlo: a new methodologic paradigm for dose reconstruction for epidemiological studies.

PubMed

Simon, Steven L; Hoffman, F Owen; Hofer, Eduard

2015-01-01

Retrospective dose estimation, particularly dose reconstruction that supports epidemiological investigations of health risk, relies on various strategies that include models of physical processes and exposure conditions with detail ranging from simple to complex. Quantification of dose uncertainty is an essential component of assessments for health risk studies since, as is well understood, it is impossible to retrospectively determine the true dose for each person. To address uncertainty in dose estimation, numerical simulation tools have become commonplace and there is now an increased understanding about the needs and what is required for models used to estimate cohort doses (in the absence of direct measurement) to evaluate dose response. It now appears that for dose-response algorithms to derive the best, unbiased estimate of health risk, we need to understand the type, magnitude and interrelationships of the uncertainties of model assumptions, parameters and input data used in the associated dose estimation models. Heretofore, uncertainty analysis of dose estimates did not always properly distinguish between categories of errors, e.g., uncertainty that is specific to each subject (i.e., unshared error), and uncertainty of doses from a lack of understanding and knowledge about parameter values that are shared to varying degrees by numbers of subsets of the cohort. While mathematical propagation of errors by Monte Carlo simulation methods has been used for years to estimate the uncertainty of an individual subject's dose, it was almost always conducted without consideration of dependencies between subjects. In retrospect, these types of simple analyses are not suitable for studies with complex dose models, particularly when important input data are missing or otherwise not available. The dose estimation strategy presented here is a simulation method that corrects the previous deficiencies of analytical or simple Monte Carlo error propagation methods and is termed, due to its capability to maintain separation between shared and unshared errors, the two-dimensional Monte Carlo (2DMC) procedure. Simply put, the 2DMC method simulates alternative, possibly true, sets (or vectors) of doses for an entire cohort rather than a single set that emerges when each individual's dose is estimated independently from other subjects. Moreover, estimated doses within each simulated vector maintain proper inter-relationships such that the estimated doses for members of a cohort subgroup that share common lifestyle attributes and sources of uncertainty are properly correlated. The 2DMC procedure simulates inter-individual variability of possibly true doses within each dose vector and captures the influence of uncertainty in the values of dosimetric parameters across multiple realizations of possibly true vectors of cohort doses. The primary characteristic of the 2DMC approach, as well as its strength, are defined by the proper separation between uncertainties shared by members of the entire cohort or members of defined cohort subsets, and uncertainties that are individual-specific and therefore unshared.

Experiment M131. Human vestibular function

NASA Technical Reports Server (NTRS)

Graybiel, A.; Miller, E. F., II; Homick, J. L.

1977-01-01

The lower susceptibility to vestibular stimulation aloft, compared with that on ground under experimental conditions, is attributed to a precondition, namely, either there is no need to adapt, or, as exemplified by the Skylab 3 pilot, adaptation to weightlessness is achieved. Findings in some of the astronauts emphasize the distinction between two categories of vestibular side effects: immediate reflex phenomena (illusions, sensations of turning, etc.), and delayed epiphenomena that include the constellation of symptoms and syndromes comprising motion sickness. The drug combinations 1-scopolamine and d-amphetamine and promethazine hydrochloride and ephedrine sulfate are effective in prevention and treatment of motion sickness. It is concluded that prevention of motion sickness in any stressful motion environment involves selection, adaptation, and the use of drugs.

Motion detector and analyzer

DOEpatents

Unruh, W.P.

1987-03-23

Method and apparatus are provided for deriving positive and negative Doppler spectrum to enable analysis of objects in motion, and particularly, objects having rotary motion. First and second returned radar signals are mixed with internal signals to obtain an in-phase process signal and a quadrature process signal. A broad-band phase shifter shifts the quadrature signal through 90/degree/ relative to the in-phase signal over a predetermined frequency range. A pair of signals is output from the broad-band phase shifter which are then combined to provide a first side band signal which is functionally related to a negative Doppler shift spectrum. The distinct positive and negative Doppler spectra may then be analyzed for the motion characteristics of the object being examined.

Rapid Motion Adaptation Reveals the Temporal Dynamics of Spatiotemporal Correlation between ON and OFF Pathways

PubMed Central

Oluk, Can; Pavan, Andrea; Kafaligonul, Hulusi

2016-01-01

At the early stages of visual processing, information is processed by two major thalamic pathways encoding brightness increments (ON) and decrements (OFF). Accumulating evidence suggests that these pathways interact and merge as early as in primary visual cortex. Using regular and reverse-phi motion in a rapid adaptation paradigm, we investigated the temporal dynamics of within and across pathway mechanisms for motion processing. When the adaptation duration was short (188 ms), reverse-phi and regular motion led to similar adaptation effects, suggesting that the information from the two pathways are combined efficiently at early-stages of motion processing. However, as the adaption duration was increased to 752 ms, reverse-phi and regular motion showed distinct adaptation effects depending on the test pattern used, either engaging spatiotemporal correlation between the same or opposite contrast polarities. Overall, these findings indicate that spatiotemporal correlation within and across ON-OFF pathways for motion processing can be selectively adapted, and support those models that integrate within and across pathway mechanisms for motion processing. PMID:27667401

Anisotropic Brownian motion in ordered phases of DNA fragments.

PubMed

Dobrindt, J; Rodrigo Teixeira da Silva, E; Alves, C; Oliveira, C L P; Nallet, F; Andreoli de Oliveira, E; Navailles, L

2012-01-01

Using Fluorescence Recovery After Photobleaching, we investigate the Brownian motion of DNA rod-like fragments in two distinct anisotropic phases with a local nematic symmetry. The height of the measurement volume ensures the averaging of the anisotropy of the in-plane diffusive motion parallel or perpendicular to the local nematic director in aligned domains. Still, as shown in using a model specifically designed to handle such a situation and predicting a non-Gaussian shape for the bleached spot as fluorescence recovery proceeds, the two distinct diffusion coefficients of the DNA particles can be retrieved from data analysis. In the first system investigated (a ternary DNA-lipid lamellar complex), the magnitude and anisotropy of the diffusion coefficient of the DNA fragments confined by the lipid bilayers are obtained for the first time. In the second, binary DNA-solvent system, the magnitude of the diffusion coefficient is found to decrease markedly as DNA concentration is increased from isotropic to cholesteric phase. In addition, the diffusion coefficient anisotropy measured within cholesteric domains in the phase coexistence region increases with concentration, and eventually reaches a high value in the cholesteric phase.

Ridding fMRI data of motion-related influences: Removal of signals with distinct spatial and physical bases in multiecho data.

PubMed

Power, Jonathan D; Plitt, Mark; Gotts, Stephen J; Kundu, Prantik; Voon, Valerie; Bandettini, Peter A; Martin, Alex

2018-02-27

"Functional connectivity" techniques are commonplace tools for studying brain organization. A critical element of these analyses is to distinguish variance due to neurobiological signals from variance due to nonneurobiological signals. Multiecho fMRI techniques are a promising means for making such distinctions based on signal decay properties. Here, we report that multiecho fMRI techniques enable excellent removal of certain kinds of artifactual variance, namely, spatially focal artifacts due to motion. By removing these artifacts, multiecho techniques reveal frequent, large-amplitude blood oxygen level-dependent (BOLD) signal changes present across all gray matter that are also linked to motion. These whole-brain BOLD signals could reflect widespread neural processes or other processes, such as alterations in blood partial pressure of carbon dioxide (pCO 2 ) due to ventilation changes. By acquiring multiecho data while monitoring breathing, we demonstrate that whole-brain BOLD signals in the resting state are often caused by changes in breathing that co-occur with head motion. These widespread respiratory fMRI signals cannot be isolated from neurobiological signals by multiecho techniques because they occur via the same BOLD mechanism. Respiratory signals must therefore be removed by some other technique to isolate neurobiological covariance in fMRI time series. Several methods for removing global artifacts are demonstrated and compared, and were found to yield fMRI time series essentially free of motion-related influences. These results identify two kinds of motion-associated fMRI variance, with different physical mechanisms and spatial profiles, each of which strongly and differentially influences functional connectivity patterns. Distance-dependent patterns in covariance are nearly entirely attributable to non-BOLD artifacts.

Differential responses in dorsal visual cortex to motion and disparity depth cues

PubMed Central

Arnoldussen, David M.; Goossens, Jeroen; van den Berg, Albert V.

2013-01-01

We investigated how interactions between monocular motion parallax and binocular cues to depth vary in human motion areas for wide-field visual motion stimuli (110 × 100°). We used fMRI with an extensive 2 × 3 × 2 factorial blocked design in which we combined two types of self-motion (translational motion and translational + rotational motion), with three categories of motion inflicted by the degree of noise (self-motion, distorted self-motion, and multiple object-motion), and two different view modes of the flow patterns (stereo and synoptic viewing). Interactions between disparity and motion category revealed distinct contributions to self- and object-motion processing in 3D. For cortical areas V6 and CSv, but not the anterior part of MT+ with bilateral visual responsiveness (MT+/b), we found a disparity-dependent effect of rotational flow and noise: When self-motion perception was degraded by adding rotational flow and moderate levels of noise, the BOLD responses were reduced compared with translational self-motion alone, but this reduction was cancelled by adding stereo information which also rescued the subject's self-motion percept. At high noise levels, when the self-motion percept gave way to a swarm of moving objects, the BOLD signal strongly increased compared to self-motion in areas MT+/b and V6, but only for stereo in the latter. BOLD response did not increase for either view mode in CSv. These different response patterns indicate different contributions of areas V6, MT+/b, and CSv to the processing of self-motion perception and the processing of multiple independent motions. PMID:24339808

Glutamate is the major anaplerotic substrate in the tricarboxylic acid cycle of isolated rumen epithelial and duodenal mucosal cells from beef cattle

USDA-ARS?s Scientific Manuscript database

This study aimed to determine the contribution of substrates to tricarboxylic acid (TCA) cycle fluxes in rumen epithelial (REC) and duodenal mucosal (DMC) cells isolated from bulls (n = 6) fed either a 75% forage (HF) or 75% concentrate (HC) diet. In separate incubations, [13C6]glucose, [13C5]glutam...

On the Probability of Error and Stochastic Resonance in Discrete Memoryless Channels

DTIC Science & Technology

2013-12-01

Information - Driven Doppler Shift Estimation and Compensation Methods for Underwater Wireless Sensor Networks ”, which is to analyze and develop... underwater wireless sensor networks . We formulated an analytic relationship that relates the average probability of error to the systems parameters, the...thesis, we studied the performance of Discrete Memoryless Channels (DMC), arising in the context of cooperative underwater wireless sensor networks

iPot: Improved potato monitoring in Belgium using remote sensing and crop growth modelling

NASA Astrophysics Data System (ADS)

Piccard, Isabelle; Gobin, Anne; Curnel, Yannick; Goffart, Jean-Pierre; Planchon, Viviane; Wellens, Joost; Tychon, Bernard; Cattoor, Nele; Cools, Romain

2016-04-01

Potato processors, traders and packers largely work with potato contracts. The close follow up of contracted parcels is important to improve the quantity and quality of the crop and reduce risks related to storage, packaging or processing. The use of geo-information by the sector is limited, notwithstanding the great benefits that this type of information may offer. At the same time, new sensor-based technologies continue to gain importance and farmers increasingly invest in these. The combination of geo-information and crop modelling might strengthen the competitiveness of the Belgian potato chain in a global market. The iPot project, financed by the Belgian Science Policy Office (Belspo), aims at providing the Belgian potato processing sector, represented by Belgapom, with near real time information on field condition (weather-soil), crop development and yield estimates, derived from a combination of satellite images and crop growth models. During the cropping season regular UAV flights (RGB, 3x3 cm) and high resolution satellite images (DMC/Deimos, 22m pixel size) were combined to elucidate crop phenology and performance at variety trials. UAV images were processed using a K-means clustering algorithm to classify the crop according to its greenness at 5m resolution. Vegetation indices such as %Cover and LAI were calculated with the Cyclopes algorithm (INRA-EMMAH) on the DMC images. Both DMC and UAV-based cover maps showed similar patterns, and helped detect different crop stages during the season. A wide spread field monitoring campaign with crop observations and measurements allowed for further calibration of the satellite image derived vegetation indices. Curve fitting techniques and phenological models were developed and compared with the vegetation indices during the season, both at trials and farmers' fields. Understanding and predicting crop phenology and canopy development is important for timely crop management and ultimately for yield estimates. An intuitive web-based geo-information platform is developed to allow both the industry and the research centres to access, analyse and combine the data with their own field observations for improved decision-making.

Beyond space and time: advanced selection for seismological data

NASA Astrophysics Data System (ADS)

Trabant, C. M.; Van Fossen, M.; Ahern, T. K.; Casey, R. E.; Weertman, B.; Sharer, G.; Benson, R. B.

2017-12-01

Separating the available raw data from that useful for any given study is often a tedious step in a research project, particularly for first-order data quality problems such as broken sensors, incorrect response information, and non-continuous time series. With the ever increasing amounts of data available to researchers, this chore becomes more and more time consuming. To assist users in this pre-processing of data, the IRIS Data Management Center (DMC) has created a system called Research Ready Data Sets (RRDS). The RRDS system allows researchers to apply filters that constrain their data request using criteria related to signal quality, response correctness, and high resolution data availability. In addition to the traditional selection methods of stations at a geographic location for given time spans, RRDS will provide enhanced criteria for data selection based on many of the measurements available in the DMC's MUSTANG quality control system. This means that data may be selected based on background noise (tolerance relative to high and low noise Earth models), signal-to-noise ratio for earthquake arrivals, signal RMS, instrument response corrected signal correlation with Earth tides, time tear (gaps/overlaps) counts, timing quality (when reported in the raw data by the datalogger) and more. The new RRDS system is available as a web service designed to operate as a request filter. A request is submitted containing the traditional station and time constraints as well as data quality constraints. The request is then filtered and a report is returned that indicates 1) the request that would subsequently be submitted to a data access service, 2) a record of the quality criteria specified and 3) a record of the data rejected based on those criteria, including the relevant values. This service can be used to either filter a request prior to requesting the actual data or to explore which data match a set of enhanced criteria without downloading the data. We are optimistic this capability will reduce the initial data culling steps most researchers go through. Additionally, use of this service should reduce the amount of data transmitted from the DMC, easing the workload for our finite shared resources.

Being Moved by the Self and Others: Influence of Empathy on Self-Motion Perception

PubMed Central

Lopez, Christophe; Falconer, Caroline J.; Mast, Fred W.

2013-01-01

Background The observation of conspecifics influences our bodily perceptions and actions: Contagious yawning, contagious itching, or empathy for pain, are all examples of mechanisms based on resonance between our own body and others. While there is evidence for the involvement of the mirror neuron system in the processing of motor, auditory and tactile information, it has not yet been associated with the perception of self-motion. Methodology/Principal Findings We investigated whether viewing our own body, the body of another, and an object in motion influences self-motion perception. We found a visual-vestibular congruency effect for self-motion perception when observing self and object motion, and a reduction in this effect when observing someone else's body motion. The congruency effect was correlated with empathy scores, revealing the importance of empathy in mirroring mechanisms. Conclusions/Significance The data show that vestibular perception is modulated by agent-specific mirroring mechanisms. The observation of conspecifics in motion is an essential component of social life, and self-motion perception is crucial for the distinction between the self and the other. Finally, our results hint at the presence of a “vestibular mirror neuron system”. PMID:23326302

Fine-tuning the extent and dynamics of binding cleft opening as a potential general regulatory mechanism in parvulin-type peptidyl prolyl isomerases

NASA Astrophysics Data System (ADS)

Czajlik, András; Kovács, Bertalan; Permi, Perttu; Gáspári, Zoltán

2017-03-01

Parvulins or rotamases form a distinct group within peptidyl prolyl cis-trans isomerases. Their exact mode of action as well as the role of conserved residues in the family are still not unambiguously resolved. Using backbone S2 order parameters and NOEs as restraints, we have generated dynamic structural ensembles of three distinct parvulins, SaPrsA, TbPin1 and CsPinA. The resulting ensembles are in good agreement with the experimental data but reveal important differences between the three enzymes. The largest difference can be attributed to the extent of the opening of the substrate binding cleft, along which motional mode the three molecules occupy distinct regions. Comparison with a wide range of other available parvulin structures highlights structural divergence along the bottom of the binding cleft acting as a hinge during the opening-closing motion. In the prototype WW-domain containing parvulin, Pin1, this region is also important in forming contacts with the WW domain known to modulate enzymatic activity of the catalytic domain. We hypothesize that modulation of the extent and dynamics of the identified ‘breathing motion’ might be one of the factors responsible for functional differences in the distinct parvulin subfamilies.

Detecting dominant motion patterns in crowds of pedestrians

NASA Astrophysics Data System (ADS)

Saqib, Muhammad; Khan, Sultan Daud; Blumenstein, Michael

2017-02-01

As the population of the world increases, urbanization generates crowding situations which poses challenges to public safety and security. Manual analysis of crowded situations is a tedious job and usually prone to errors. In this paper, we propose a novel technique of crowd analysis, the aim of which is to detect different dominant motion patterns in real-time videos. A motion field is generated by computing the dense optical flow. The motion field is then divided into blocks. For each block, we adopt an Intra-clustering algorithm for detecting different flows within the block. Later on, we employ Inter-clustering for clustering the flow vectors among different blocks. We evaluate the performance of our approach on different real-time videos. The experimental results show that our proposed method is capable of detecting distinct motion patterns in crowded videos. Moreover, our algorithm outperforms state-of-the-art methods.

“What Women Like”: Influence of Motion and Form on Esthetic Body Perception

PubMed Central

Cazzato, Valentina; Siega, Serena; Urgesi, Cosimo

2012-01-01

Several studies have shown the distinct contribution of motion and form to the esthetic evaluation of female bodies. Here, we investigated how variations of implied motion and body size interact in the esthetic evaluation of female and male bodies in a sample of young healthy women. Participants provided attractiveness, beauty, and liking ratings for the shape and posture of virtual renderings of human bodies with variable body size and implied motion. The esthetic judgments for both shape and posture of human models were influenced by body size and implied motion, with a preference for thinner and more dynamic stimuli. Implied motion, however, attenuated the impact of extreme body size on the esthetic evaluation of body postures, while body size variations did not affect the preference for more dynamic stimuli. Results show that body form and action cues interact in esthetic perception, but the final esthetic appreciation of human bodies is predicted by a mixture of perceptual and affective evaluative components. PMID:22866044

Sopite syndrome - A sometimes sole manifestation of motion sickness. [drowsiness in rotating environment

NASA Technical Reports Server (NTRS)

Graybiel, A.; Knepton, J.

1976-01-01

Sopite syndrome is understood to mean a symptom complex centering around 'drowsiness' produced by motion sickness. The typical symptoms of the syndrome are: yawning; drowsiness; disinclination to work either physically or mentally; and lack of participation in group activities. The present study is based on data obtained in rotating rooms, at sea, in the air, and in orbital flight. When the sopite syndrom occurs either before other typical symptoms of motion sickness appear or after their disappearance, they are distinguished, respectively, by the terms 'early sopite syndrome' and 'late sopite syndrome'. Further distinction is made between brief and prolonged exposures. Evidence is presented indicating that drowsiness and mental depression caused by prolonged motion sickness are only part of the symptom complex that is termed sopite syndrome.

Individualistic weight perception from motion on a slope

PubMed Central

Zintus-art, K.; Shin, D.; Kambara, H.; Yoshimura, N.; Koike, Y.

2016-01-01

Perception of an object’s weight is linked to its form and motion. Studies have shown the relationship between weight perception and motion in horizontal and vertical environments to be universally identical across subjects during passive observation. Here we show a contradicting finding in that not all humans share the same motion-weight pairing. A virtual environment where participants control the steepness of a slope was used to investigate the relationship between sliding motion and weight perception. Our findings showed that distinct, albeit subjective, motion-weight relationships in perception could be identified for slope environments. These individualistic perceptions were found when changes in environmental parameters governing motion were introduced, specifically inclination and surface texture. Differences in environmental parameters, combined with individual factors such as experience, affected participants’ weight perception. This phenomenon may offer evidence of the central nervous system’s ability to choose and combine internal models based on information from the sensory system. The results also point toward the possibility of controlling human perception by presenting strong sensory cues to manipulate the mechanisms managing internal models. PMID:27174036

Circular motion geometry using minimal data.

PubMed

Jiang, Guang; Quan, Long; Tsui, Hung-Tat

2004-06-01

Circular motion or single axis motion is widely used in computer vision and graphics for 3D model acquisition. This paper describes a new and simple method for recovering the geometry of uncalibrated circular motion from a minimal set of only two points in four images. This problem has been previously solved using nonminimal data either by computing the fundamental matrix and trifocal tensor in three images or by fitting conics to tracked points in five or more images. It is first established that two sets of tracked points in different images under circular motion for two distinct space points are related by a homography. Then, we compute a plane homography from a minimal two points in four images. After that, we show that the unique pair of complex conjugate eigenvectors of this homography are the image of the circular points of the parallel planes of the circular motion. Subsequently, all other motion and structure parameters are computed from this homography in a straighforward manner. The experiments on real image sequences demonstrate the simplicity, accuracy, and robustness of the new method.

Directional Limits on Motion Transparency Assessed Through Colour-Motion Binding.

PubMed

Maloney, Ryan T; Clifford, Colin W G; Mareschal, Isabelle

2018-03-01

Motion-defined transparency is the perception of two or more distinct moving surfaces at the same retinal location. We explored the limits of motion transparency using superimposed surfaces of randomly positioned dots defined by differences in motion direction and colour. In one experiment, dots were red or green and we varied the proportion of dots of a single colour that moved in a single direction ('colour-motion coherence') and measured the threshold direction difference for discriminating between two directions. When colour-motion coherences were high (e.g., 90% of red dots moving in one direction), a smaller direction difference was required to correctly bind colour with direction than at low coherences. In another experiment, we varied the direction difference between the surfaces and measured the threshold colour-motion coherence required to discriminate between them. Generally, colour-motion coherence thresholds decreased with increasing direction differences, stabilising at direction differences around 45°. Different stimulus durations were compared, and thresholds were higher at the shortest (150 ms) compared with the longest (1,000 ms) duration. These results highlight different yet interrelated aspects of the task and the fundamental limits of the mechanisms involved: the resolution of narrowly separated directions in motion processing and the local sampling of dot colours from each surface.

Mass and Motion: Topics at the Interface of General Relativity and Newtonian Gravitation

NASA Astrophysics Data System (ADS)

Weatherall, James Owen

There is a long tradition, originating with Aristotle, of philosophers interested in the nature of unforced motion. How do bodies move in the absence of any external influence, and why? The modern answer to the "how'" half of this question is the subject of Newton's first law of motion, which states that in the absence of any external forces, a body traverses a straight line at constant velocity. Newton's first law, however, does not appear to provide an answer to the "why" half of the question. Indeed, many physicists and philosophers of physics, Einstein included, have held that this question cannot be answered until one moves to general relativity---and more, that general relativity is distinctive among spacetime theories precisely because it "explains" unforced motion, in the sense that the geodesic principle---the geometrical version of Newton's first law---can be proved as a theorem. In this dissertation, I argue that Newtonian gravitation provides an explanation of inertial motion almost identical to that of general relativity. However, the details of both cases are remarkably subtle, and considerable attention must be paid to the sense of "explain" being used. Four chapters of the dissertation are devoted to these considerations. The final chapter of the dissertation addresses a slightly different topic. In standard Newtonian gravitation, there are two distinct notions of mass: "inertial mass" and "(passive) gravitational mass". Yet it is an empirical fact that for any body, the values of these masses are always equal. Historically, many physicists have taken this fact to call for explanation. A natural place to look for an explanation of the coincidence of inertial and gravitational mass would be general relativity. In general relativity, however, there is no coherent notion of gravitational mass. This chapter shows how it is that gravitational mass arises as a distinct property of matter in the Newtonian limit of general relativity, and moreover, shows that in any model of standard Newtonian gravitation that approximates a model of relativity theory (in the sense of being a limit of a sequence of relativistic spacetimes), inertial and gravitational mass must be equal.

Representation of bidirectional ground motions for design spectra in building codes

USGS Publications Warehouse

Stewart, Jonathan P.; Abrahamson, Norman A.; Atkinson, Gail M.; Beker, Jack W.; Boore, David M.; Bozorgnia, Yousef; Campbell, Kenneth W.; Comartin, Craig D.; Idriss, I.M.; Lew, Marshall; Mehrain, Michael; Moehle, Jack P.; Naeim, Farzad; Sabol, Thomas A.

2011-01-01

The 2009 NEHRP Provisions modified the definition of horizontal ground motion from the geometric mean of spectral accelerations for two components to the peak response of a single lumped mass oscillator regardless of direction. These maximum-direction (MD) ground motions operate under the assumption that the dynamic properties of the structure (e.g., stiffness, strength) are identical in all directions. This assumption may be true for some in-plan symmetric structures, however, the response of most structures is dominated by modes of vibration along specific axes (e.g., longitudinal and transverse axes in a building), and often the dynamic properties (especially stiffness) along those axes are distinct. In order to achieve structural designs consistent with the collapse risk level given in the NEHRP documents, we argue that design spectra should be compatible with expected levels of ground motion along those principal response axes. The use of MD ground motions effectively assumes that the azimuth of maximum ground motion coincides with the directions of principal structural response. Because this is unlikely, design ground motions have lower probability of occurrence than intended, with significant societal costs. We recommend adjustments to make design ground motions compatible with target risk levels.

Image motion environments: background noise for movement-based animal signals.

PubMed

Peters, Richard; Hemmi, Jan; Zeil, Jochen

2008-05-01

Understanding the evolution of animal signals has to include consideration of the structure of signal and noise, and the sensory mechanisms that detect the signals. Considerable progress has been made in understanding sounds and colour signals, however, the degree to which movement-based signals are constrained by the particular patterns of environmental image motion is poorly understood. Here we have quantified the image motion generated by wind-blown plants at 12 sites in the coastal habitat of the Australian lizard Amphibolurus muricatus. Sampling across different plant communities and meteorological conditions revealed distinct image motion environments. At all locations, image motion became more directional and apparent speed increased as wind speeds increased. The magnitude of these changes and the spatial distribution of image motion, however, varied between locations probably as a function of plant structure and the topographic location. In addition, we show that the background motion noise depends strongly on the particular depth-structure of the environment and argue that such micro-habitat differences suggest specific strategies to preserve signal efficacy. Movement-based signals and motion processing mechanisms, therefore, may reveal the same type of habitat specific structural variation that we see for signals from other modalities.

(Heat utilization at a commercial laundramat)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1985-01-01

An EPDM rubber tube mat (trade name - Sola Roll) was used as a heat exchanger to trap heat being vented through the dryer exhaust pipes at the Friendship St. Laundramat. Results of studies are presented. A savings of 54.4% on fuel oil usage was obtained during a full year's trial of the system. The waste heat was used to heat water for the washing machines. 5 figs., 1 tab. (DMC)

From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species.

PubMed

Kalhor, Mahboubeh Poor; Chermette, Henry; Chambrey, Stéphane; Ballivet-Tkatchenko, Danielle

2011-02-14

The formation of dimethyl carbonate (DMC) from CO(2) and methanol with the dimer [n-Bu(2)Sn(OCH(3))(2)](2) was investigated by experimental kinetics in support of DFT calculations. Under the reaction conditions (357-423 K, 10-20 MPa), identical initial rates are observed with three different reacting mixtures, CO(2)/toluene, supercritical CO(2), and CO(2)/methanol, and are consistent with the formation of monomeric di-n-butyltin(iv) species. An intramolecular mechanism is, therefore, proposed with an Arrhenius activation energy amounting to 104 ± 10 kJ mol(-1) for DMC synthesis. DFT calculations on the [(CH(3))(2)Sn(OCH(3))(2)](2)/CO(2) system show that the exothermic insertion of CO(2) into the Sn-OCH(3) bond occurs by a concerted Lewis acid-base interaction involving the tin center and the oxygen atom of the methoxy ligand. The Gibbs energy diagrams highlight that, under the reaction conditions, the dimer-monomer equilibrium is significantly shifted towards monomeric species, in agreement with the experimental kinetics. Importantly, the two Sn-OCH(3) bonds are prompt to insert CO(2). These results provide new insight into the reaction mechanism and catalyst design to enhance the turnover numbers.

[Spectralsignatures of nickel and vanadium supported photocatalysts and their photocatalytic properties].

PubMed

Hai, Feng; Zhang, Qian-Cheng; Wang, Zhi-Wei; Jian, Li

2011-04-01

Using SiO2, activated carbon (AC) and Al2O3 as supports, the supported photocatalysts Ni-V-O/SiO2, Ni-V-O/AC and Ni-V-O/Al2O3 were prepared by impregnation method, and their spectralsignatures were investigated. The carbonylation of methanol with CO2 under UV irradiation was used as a probe reaction to compare the photocatalytic performance of the prepared catalysts. Integrated with the testing results of carbonylation, the effects of different supports on selectivity for the carbonylation products of methyl formate (MF) and dimethyl carbonate (DMC) were discussed by pyridine-IR and UV-Vis techniques. XRD results showed that the particles of nickel and vanadium supported on SiO2 had the highest degree of dispersion. Results of pyridine-IR indicated that all catalysts retained Lewis acid sites. The acid strength was different from catalyst samples with different supports but with the same active components. The acid strengths could be arranged as follows: Ni-V-O/SiO2 > Ni-V-O/Al2 O3 > Ni-V-O/AC. Different acid strengths exhibited different influence on the selectivity of products MF and DMC of carbonylation. The surface acid strengths of catalysts were the major factor influencing the selectivity of carbonylation products.

Synthesis of fatty acid methyl ester from the transesterification of high- and low-acid-content crude palm oil (Elaeis guineensis) and karanj oil (Pongamia pinnata) over a calcium-lanthanum-aluminum mixed-oxides catalyst.

PubMed

Syamsuddin, Y; Murat, M N; Hameed, B H

2016-08-01

The synthesis of fatty acid methyl ester (FAME) from the high- and low-acid-content feedstock of crude palm oil (CPO) and karanj oil (KO) was conducted over CaO-La2O3-Al2O3 mixed-oxide catalyst. Various reaction parameters were investigated using a batch reactor to identify the best reaction condition that results in the highest FAME yield for each type of oil. The transesterification of CPO resulted in a 97.81% FAME yield with the process conditions of 170°C reaction temperature, 15:1 DMC-to-CPO molar ratio, 180min reaction time, and 10wt.% catalyst loading. The transesterification of KO resulted in a 96.77% FAME yield with the conditions of 150°C reaction temperature, 9:1 DMC-to-KO molar ratio, 180min reaction time, and 5wt.% catalyst loading. The properties of both products met the ASTM D6751 and EN 14214 standard requirements. The above results showed that the CaO-La2O3-Al2O3 mixed-oxide catalyst was suitable for high- and low-acid-content vegetable oil. Copyright © 2016 Elsevier Ltd. All rights reserved.

Charge carrier dynamics in PMMA-LiClO4 based polymer electrolytes plasticized with different plasticizers

NASA Astrophysics Data System (ADS)

Pal, P.; Ghosh, A.

2017-07-01

We have studied the charge carrier dynamics in poly(methylmethacrylate)-LiClO4 polymer electrolytes plasticized with different plasticizers such as ethylene carbonate (EC), propylene carbonate (PC), polyethylene glycol (PEG), and dimethyl carbonate (DMC). We have measured the broadband complex conductivity spectra of these electrolytes in the frequency range of 0.01 Hz-3 GHz and in the temperature range of 203 K-363 K and analyzed the conductivity spectra in the framework of the random barrier model by taking into account the contribution of the electrode polarization observed at low frequencies and/or at high temperatures. It is observed that the temperature dependences of the ionic conductivity and relaxation time follow the Vogel-Tammann-Fulcher relation for all plasticized electrolytes. We have also performed the scaling of the conductivity spectra, which indicates that the charge carrier dynamics is almost independent of temperature and plasticizers in a limited frequency range. The existence of nearly constant loss in these electrolytes has been observed at low temperatures and/or high frequencies. We have studied the dielectric relaxation in these electrolytes using electric modulus formalism and obtained the stretched exponent and the decay function. We have observed less cooperative ion dynamics in electrolytes plasticized with DMC compared to electrolytes plasticized with EC, PC, and PEG.

Studies on the thermal breakdown of common Li-ion battery electrolyte components

DOE PAGES

Lamb, Joshua; Orendorff, Christopher J.; Roth, Emanuel Peter; ...

2015-08-06

While much attention is paid to the impact of the active materials on the catastrophic failure of lithium ion batteries, much of the severity of a battery failure is also governed by the electrolytes used, which are typically flammable themselves and can decompose during battery failure. The use of LiPF 6 salt can be problematic as well, not only catalyzing electrolyte decomposition, but also providing a mechanism for HF production. This work evaluates the safety performance of the common components ethylene carbonate (EC), diethyl carbonate (DEC), dimethyl carbonate (DMC), and ethyl methyl carbonate (EMC) in the context of the gassesmore » produced during thermal decomposition, looking at both the quantity and composition of the vapor produced. EC and DEC were found to be the largest contributors to gas production, both producing upwards of 1.5 moles of gas/mole of electrolyte. DMC was found to be relatively stable, producing very little gas regardless of the presence of LiPF 6. EMC was stable on its own, but the addition of LiPF 6 catalyzed decomposition of the solvent. As a result, while gas analysis did not show evidence of significant quantities of any acutely toxic materials, the gasses themselves all contained enough flammable components to potentially ignite in air.« less

Radiological characterization survey of the former Diamond Magnesium Company Company site, 720 Fairport-Nursery Road, Painesville, Ohio (DMP001, DMP002)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foley, R.D.; Carrier, R.F.

1991-12-01

At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory performed an investigative radiological survey at the former Diamond Magnesium Company (DMC) site at 720 Fairport-Nursery Road, Painesville, Ohio, in September 1990. The purpose of the survey was to determine if the site is contaminated with radioactive residues as a result of federal government operation in the development of nuclear energy for defense-related projects. The survey of the site, separate parcels of which are currently owned by the Uniroyal Chemical Company (DMP001) and the Lonza Chemical Company (DMP002), included a gamma scan overmore » the ground surface, determination of gamma exposure rates at the surface and at 1 m above the surface at grid points, collection and radionuclide analysis of soil samples, and directly measured radiation levels inside three buildings used during original DMC processing. Results of the survey revealed widespread radiological contamination outdoors on the Uniroyal property and several isolated spots of elevated radiation levels on the Lonza property. The contaminants consisted of radium, uranium, and thorium in surface and subsurface soil in concentrations exceeding DOE guidelines for the release of property for unrestricted use.« less

Comparative expression profiling reveals gene functions in female meiosis and gametophyte development in Arabidopsis.

PubMed

Zhao, Lihua; He, Jiangman; Cai, Hanyang; Lin, Haiyan; Li, Yanqiang; Liu, Renyi; Yang, Zhenbiao; Qin, Yuan

2014-11-01

Megasporogenesis is essential for female fertility, and requires the accomplishment of meiosis and the formation of functional megaspores. The inaccessibility and low abundance of female meiocytes make it particularly difficult to elucidate the molecular basis underlying megasporogenesis. We used high-throughput tag-sequencing analysis to identify genes expressed in female meiocytes (FMs) by comparing gene expression profiles from wild-type ovules undergoing megasporogenesis with those from the spl mutant ovules, which lack megasporogenesis. A total of 862 genes were identified as FMs, with levels that are consistently reduced in spl ovules in two biological replicates. Fluorescence-assisted cell sorting followed by RNA-seq analysis of DMC1:GFP-labeled female meiocytes confirmed that 90% of the FMs are indeed detected in the female meiocyte protoplast profiling. We performed reverse genetic analysis of 120 candidate genes and identified four FM genes with a function in female meiosis progression in Arabidopsis. We further revealed that KLU, a putative cytochrome P450 monooxygenase, is involved in chromosome pairing during female meiosis, most likely by affecting the normal expression pattern of DMC1 in ovules during female meiosis. Our studies provide valuable information for functional genomic analyses of plant germline development as well as insights into meiosis. © 2014 The Authors The Plant Journal © 2014 John Wiley & Sons Ltd.

Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Jaehyung; Wagner, Lucas K.; Ertekin, Elif, E-mail: ertekin@illinois.edu

2015-12-14

The fixed node diffusion Monte Carlo (DMC) method has attracted interest in recent years as a way to calculate properties of solid materials with high accuracy. However, the framework for the calculation of properties such as total energies, atomization energies, and excited state energies is not yet fully established. Several outstanding questions remain as to the effect of pseudopotentials, the magnitude of the fixed node error, and the size of supercell finite size effects. Here, we consider in detail the semiconductors ZnSe and ZnO and carry out systematic studies to assess the magnitude of the energy differences arising from controlledmore » and uncontrolled approximations in DMC. The former include time step errors and supercell finite size effects for ground and optically excited states, and the latter include pseudopotentials, the pseudopotential localization approximation, and the fixed node approximation. We find that for these compounds, the errors can be controlled to good precision using modern computational resources and that quantum Monte Carlo calculations using Dirac-Fock pseudopotentials can offer good estimates of both cohesive energy and the gap of these systems. We do however observe differences in calculated optical gaps that arise when different pseudopotentials are used.« less

Density functional theory versus quantum Monte Carlo simulations of Fermi gases in the optical-lattice arena★

NASA Astrophysics Data System (ADS)

Pilati, Sebastiano; Zintchenko, Ilia; Troyer, Matthias; Ancilotto, Francesco

2018-04-01

We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices (OLs) computed via density functional theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus is on a half-filled one-dimensional OLs, for which the DMC simulations performed within the fixed-node approach provide unbiased results. This allows us to demonstrate that the local spin-density approximation (LSDA) to the exchange-correlation functional of DFT is very accurate in the weak and intermediate interactions regime, and also to underline its limitations close to the strongly-interacting Tonks-Girardeau limit and in very deep OLs. We also consider a three-dimensional OL at quarter filling, showing also in this case the high accuracy of the LSDA in the moderate interaction regime. The one-dimensional data provided in this study may represent a useful benchmark to further develop DFT methods beyond the LSDA and they will hopefully motivate experimental studies to accurately measure the equation of state of Fermi gases in higher-dimensional geometries. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjb/e2018-90021-1.

Radiological characterization survey of the former Diamond Magnesium Company Company site, 720 Fairport-Nursery Road, Painesville, Ohio (DMP001, DMP002)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foley, R.D.; Carrier, R.F.

At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory performed an investigative radiological survey at the former Diamond Magnesium Company (DMC) site at 720 Fairport-Nursery Road, Painesville, Ohio, in September 1990. The purpose of the survey was to determine if the site is contaminated with radioactive residues as a result of federal government operation in the development of nuclear energy for defense-related projects. The survey of the site, separate parcels of which are currently owned by the Uniroyal Chemical Company (DMP001) and the Lonza Chemical Company (DMP002), included a gamma scan overmore » the ground surface, determination of gamma exposure rates at the surface and at 1 m above the surface at grid points, collection and radionuclide analysis of soil samples, and directly measured radiation levels inside three buildings used during original DMC processing. Results of the survey revealed widespread radiological contamination outdoors on the Uniroyal property and several isolated spots of elevated radiation levels on the Lonza property. The contaminants consisted of radium, uranium, and thorium in surface and subsurface soil in concentrations exceeding DOE guidelines for the release of property for unrestricted use.« less

The Effect of Apatinib on the Metabolism of Carvedilol Both in vitro and in vivo.

PubMed

Lin, Dan; Wang, Zhe; Li, Junwei; Wang, Li; Wang, Shuanghu; Hu, Guo-Xin; Liu, Xinshe

2016-01-01

In light of the growing number of cancer survivors, the incidence of cardiovascular complications in these patients had also increased, while the effect of apatinib on the pharmacokinetic of cardioprotective drug (carvedilol) in rats or human is still unknown. The present work was to study the impact of apatinib on the metabolism of carvedilol both in vitro and vivo. A specific and sensitive ultra-performance liquid-chromatography tandem mass spectrometry method was applied to determine the concentration of carvedilol and its metabolites (4'-hydroxyphenyl carvedilol [4'-HPC], 5'-hydroxyphenyl carvedilol [5'-HPC] and o-desmethyl carvedilol [o-DMC]). The inhibition ratios in human liver microsomes were 10.28, 10.89 and 5.94% for 4'-HPC, 5'-HPC and o-DMC, respectively, while in rat liver microsomes, they were 3.22, 1.58 and 1.81%, respectively. The data in vitro of rat microsomes were consistent with the data in vivo that the inhibition of 4'-HPC and 5'-HPC formation was higher than the control group. Our study showed that apatinib could significantly inhibit the formation of carvedilol metabolites both in human and rat liver microsomes. It is recommended that the effect of apatinib on the metabolism of carvedilol should be noted and carvedilol plasma concentration should be monitored. © 2015 S. Karger AG, Basel.

On the room-temperature phase diagram of high pressure hydrogen: an ab initio molecular dynamics perspective and a diffusion Monte Carlo study.

PubMed

Chen, Ji; Ren, Xinguo; Li, Xin-Zheng; Alfè, Dario; Wang, Enge

2014-07-14

The finite-temperature phase diagram of hydrogen in the region of phase IV and its neighborhood was studied using the ab initio molecular dynamics (MD) and the ab initio path-integral molecular dynamics (PIMD). The electronic structures were analyzed using the density-functional theory (DFT), the random-phase approximation, and the diffusion Monte Carlo (DMC) methods. Taking the state-of-the-art DMC results as benchmark, comparisons of the energy differences between structures generated from the MD and PIMD simulations, with molecular and dissociated hydrogens, respectively, in the weak molecular layers of phase IV, indicate that standard functionals in DFT tend to underestimate the dissociation barrier of the weak molecular layers in this mixed phase. Because of this underestimation, inclusion of the quantum nuclear effects (QNEs) in PIMD using electronic structures generated with these functionals leads to artificially dissociated hydrogen layers in phase IV and an error compensation between the neglect of QNEs and the deficiencies of these functionals in standard ab initio MD simulations exists. This analysis partly rationalizes why earlier ab initio MD simulations complement so well the experimental observations. The temperature and pressure dependencies for the stability of phase IV were also studied in the end and compared with earlier results.

Understanding quantum tunneling using diffusion Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Inack, E. M.; Giudici, G.; Parolini, T.; Santoro, G.; Pilati, S.

2018-03-01

In simple ferromagnetic quantum Ising models characterized by an effective double-well energy landscape the characteristic tunneling time of path-integral Monte Carlo (PIMC) simulations has been shown to scale as the incoherent quantum-tunneling time, i.e., as 1 /Δ2 , where Δ is the tunneling gap. Since incoherent quantum tunneling is employed by quantum annealers (QAs) to solve optimization problems, this result suggests that there is no quantum advantage in using QAs with respect to quantum Monte Carlo (QMC) simulations. A counterexample is the recently introduced shamrock model (Andriyash and Amin, arXiv:1703.09277), where topological obstructions cause an exponential slowdown of the PIMC tunneling dynamics with respect to incoherent quantum tunneling, leaving open the possibility for potential quantum speedup, even for stoquastic models. In this work we investigate the tunneling time of projective QMC simulations based on the diffusion Monte Carlo (DMC) algorithm without guiding functions, showing that it scales as 1 /Δ , i.e., even more favorably than the incoherent quantum-tunneling time, both in a simple ferromagnetic system and in the more challenging shamrock model. However, a careful comparison between the DMC ground-state energies and the exact solution available for the transverse-field Ising chain indicates an exponential scaling of the computational cost required to keep a fixed relative error as the system size increases.

Individual differences in decision making competence revealed by multivariate fMRI.

PubMed

Talukdar, Tanveer; Román, Francisco J; Operskalski, Joachim T; Zwilling, Christopher E; Barbey, Aron K

2018-06-01

While an extensive literature in decision neuroscience has elucidated the neurobiological foundations of decision making, prior research has focused primarily on group-level effects in a sample population. Due to the presence of inherent differences between individuals' cognitive abilities, it is also important to examine the neural correlates of decision making that explain interindividual variability in cognitive performance. This study therefore investigated how individual differences in decision making competence, as measured by the Adult Decision Making Competence (A-DMC) battery, are related to functional brain connectivity patterns derived from resting-state fMRI data in a sample of 304 healthy participants. We examined connectome-wide associations, identifying regions within frontal, parietal, temporal, and occipital cortex that demonstrated significant associations with decision making competence. We then assessed whether the functional interactions between brain regions sensitive to decision making competence and seven intrinsic connectivity networks (ICNs) were predictive of specific facets of decision making assessed by subtests of the A-DMC battery. Our findings suggest that individual differences in specific facets of decision making competence are mediated by ICNs that support executive, social, and perceptual processes, and motivate an integrative framework for understanding the neural basis of individual differences in decision making competence. © 2018 Wiley Periodicals, Inc.

Robust Damage-Mitigating Control of Aircraft for High Performance and Structural Durability

NASA Technical Reports Server (NTRS)

Caplin, Jeffrey; Ray, Asok; Joshi, Suresh M.

1999-01-01

This paper presents the concept and a design methodology for robust damage-mitigating control (DMC) of aircraft. The goal of DMC is to simultaneously achieve high performance and structural durability. The controller design procedure involves consideration of damage at critical points of the structure, as well as the performance requirements of the aircraft. An aeroelastic model of the wings has been formulated and is incorporated into a nonlinear rigid-body model of aircraft flight-dynamics. Robust damage-mitigating controllers are then designed using the H(infinity)-based structured singular value (mu) synthesis method based on a linearized model of the aircraft. In addition to penalizing the error between the ideal performance and the actual performance of the aircraft, frequency-dependent weights are placed on the strain amplitude at the root of each wing. Using each controller in turn, the control system is put through an identical sequence of maneuvers, and the resulting (varying amplitude cyclic) stress profiles are analyzed using a fatigue crack growth model that incorporates the effects of stress overload. Comparisons are made to determine the impact of different weights on the resulting fatigue crack damage in the wings. The results of simulation experiments show significant savings in fatigue life of the wings while retaining the dynamic performance of the aircraft.

Progress towards an effective model for FeSe from high-accuracy first-principles quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Busemeyer, Brian; Wagner, Lucas K.

While the origin of superconductivity in the iron-based materials is still controversial, the proximity of the superconductivity to magnetic order is suggestive that magnetism may be important. Our previous work has suggested that first-principles Diffusion Monte Carlo (FN-DMC) can capture magnetic properties of iron-based superconductors that density functional theory (DFT) misses, but which are consistent with experiment. We report on the progress of efforts to find simple effective models consistent with the FN-DMC description of the low-lying Hilbert space of the iron-based superconductor, FeSe. We utilize a procedure outlined by Changlani et al.[1], which both produces parameter values and indications of whether the model is a good description of the first-principles Hamiltonian. Using this procedure, we evaluate several models of the magnetic part of the Hilbert space found in the literature, as well as the Hubbard model, and a spin-fermion model. We discuss which interaction parameters are important for this material, and how the material-specific properties give rise to these interactions. U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Scientific Discovery through Advanced Computing (SciDAC) program under Award No. FG02-12ER46875, as well as the NSF Graduate Research Fellowship Program.

Lightweight Aluminum/Nano composites for Automotive Drive Train Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chelluri, Bhanumathi; Knoth, Edward A.; Schumaker, Edward J.

2012-12-14

During Phase I, we successfully processed air atomized aluminum powders via Dynamic Magnetic Compaction (DMC) pressing and subsequent sintering to produce parts with properties similar to wrought aluminum. We have also showed for the first time that aluminum powders can be processed without lubes via press and sintering to 100 % density. This will preclude a delube cycle in sintering and promote environmentally friendly P/M processing. Processing aluminum powders via press and sintering with minimum shrinkage will enable net shape fabrication. Aluminum powders processed via a conventional powder metallurgy process produce too large a shrinkage. Because of this, sinter partsmore » have to be machined into specific net shape. This results in increased scrap and cost. Fully sintered aluminum alloy under this Phase I project has shown good particle-to-particle bonding and mechanical properties. We have also shown the feasibility of preparing nano composite powders and processing via pressing and sintering. This was accomplished by dispersing nano silicon carbide (SiC) powders into aluminum matrix comprising micron-sized powders (<100 microns) using a proprietary process. These composite powders of Al with nano SiC were processed using DMC press and sinter process to sinter density of 85-90%. The process optimization along with sintering needs to be carried out to produce full density composites.« less

Polypropylene/hydrophobic-silica-aerogel-composite separator induced enhanced safety and low polarization for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Feng, Guanhua; Li, Zihe; Mi, Liwei; Zheng, Jinyun; Feng, Xiangming; Chen, Weihua

2018-02-01

Separator as an important part of lithium-ion batteries, allowing the ion to transfer and preventing the direct contact of anode with cathode, determines the safety of the batteries. In this work, a kind of polypropylene/hydrophobic silica-aerogel-composite (SAC) separator is fabricated through combining hydrophobic silica aerogel and polypropylene (PP) separator. The rationally designed SAC effectively increases the thermal stability of the separator with slightly growing weight (the area retention rate is 30% higher than that of the PP separator after being heated for 30 min at 160 °C). In addition, the hydrophobic silica aerogel layer in SAC significantly improves the wettability of PP separator to electrolyte owning to the introduced hydrophobic functional groups of -Si(CH3)3 and porous structure, and the contact angles of SAC separator to several common organic electrolytes (EC/DMC, DMC/DOL, Diglyme) are close to 0°. Electrochemical tests show that the prepared SAC separator can decrease the polarization of Li-ion batteries and leads to improved power performance and cycle stability. And the SAC separator is firm with neglectable abscission after folding 200 times. This work provides a new way to improve the safety and simultaneously reduce the polarization of the batteries, implying promising application potential in power batteries.

Recollection and unitization in associating actors with extrinsic and intrinsic motions.

PubMed

Kersten, Alan W; Earles, Julie L; Berger, Johanna D

2015-04-01

Four experiments provide evidence for a distinction between 2 different kinds of motion representations. Extrinsic motions involve the path of an object with respect to an external frame of reference. Intrinsic motions involve the relative motions of the parts of an object. This research suggests that intrinsic motions are represented conjointly with information about the identities of the actors who perform them, whereas extrinsic motions are represented separately from identity information. Experiment 1 demonstrated that participants remembered which actor had performed a particular intrinsic motion better than they remembered which actor had performed a particular extrinsic motion. Experiment 2 replicated this effect with incidental encoding of actor information, suggesting that encoding intrinsic motions leads one to automatically encode identity information. The results of Experiments 3 and 4 were fit by Yonelinas's (1999) source-memory model to quantify the contributions of familiarity and recollection to memory for the actors who carried out the intrinsic and extrinsic motions. Successful performance with extrinsic motion items in Experiment 3 required participants to remember in which scene contexts an actor had appeared, whereas successful performance in Experiment 4 required participants to remember the exact path taken by an actor in each scene. In both experiments, discrimination of old and new combinations of actors and extrinsic motions relied strongly on recollection, suggesting independent but associated representations of actors and extrinsic motions. In contrast, participants discriminated old and new combinations of actors and intrinsic motions primarily on the basis of familiarity, suggesting unitized representations of actors and intrinsic motions. (c) 2015 APA, all rights reserved).

Understanding THz spectra of aqueous solutions: glycine in light and heavy water.

PubMed

Sun, Jian; Niehues, Gudrun; Forbert, Harald; Decka, Dominique; Schwaab, Gerhard; Marx, Dominik; Havenith, Martina

2014-04-02

THz spectroscopy of aqueous solutions has been established as of recently to be a valuable and complementary experimental tool to provide direct insights into the solute-solvent coupling due to hydrogen-bond dynamics involving interfacial water. Despite much experimental progress, understanding THz spectra in terms of molecular motions, akin to mid-infrared spectra, still remains elusive. Here, using the osmoprotectant glycine as a showcase, we demonstrate how this can be achieved by combining THz absorption spectroscopy and ab initio molecular dynamics. The experimental THz spectrum is characterized by broad yet clearly discernible peaks. Based on substantial extensions of available mode-specific decomposition schemes, the experimental spectrum can be reproduced by theory and assigned on an essentially quantitative level. This joint effort reveals an unexpectedly clear picture of the individual contributions of molecular motion to the THz absorption spectrum in terms of distinct modes stemming from intramolecular vibrations, rigid-body-like hindered rotational and translational motion, and specific couplings to interfacial water molecules. The assignment is confirmed by the peak shifts observed in the THz spectrum of deuterated glycine in heavy water, which allow us to separate the distinct modes experimentally.

Sustained attention to objects' motion sharpens position representations: Attention to changing position and attention to motion are distinct.

PubMed

Howard, Christina J; Rollings, Victoria; Hardie, Amy

2017-06-01

In tasks where people monitor moving objects, such the multiple object tracking task (MOT), observers attempt to keep track of targets as they move amongst distracters. The literature is mixed as to whether observers make use of motion information to facilitate performance. We sought to address this by two means: first by superimposing arrows on objects which varied in their informativeness about motion direction and second by asking observers to attend to motion direction. Using a position monitoring task, we calculated mean error magnitudes as a measure of the precision with which target positions are represented. We also calculated perceptual lags versus extrapolated reports, which are the times at which positions of targets best match position reports. We find that the presence of motion information in the form of superimposed arrows made no difference to position report precision nor perceptual lag. However, when we explicitly instructed observers to attend to motion, we saw facilitatory effects on position reports and in some cases reports that best matched extrapolated rather than lagging positions for small set sizes. The results indicate that attention to changing positions does not automatically recruit attention to motion, showing a dissociation between sustained attention to changing positions and attention to motion. Copyright © 2017 Elsevier Ltd. All rights reserved.

Turbulence Measurements from Compliant Moorings. Part II: Motion Correction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kilcher, Levi F.; Thomson, Jim; Harding, Samuel

2017-06-01

Acoustic Doppler velocimeters (ADVs) are a valuable tool for making highprecision measurements of turbulence, and moorings are a convenient and ubiquitous platform for making many kinds of measurements in the ocean. However—because of concerns that mooring motion can contaminate turbulence measurements and acoustic Doppler profilers are relatively easy to deploy—ADVs are not frequently deployed from moorings. This work details a method for measuring turbulence using moored ADVs that corrects for mooring motion using measurements from inertial motion sensors. Three distinct mooring platforms were deployed in a tidal channel with inertial motion-sensor-equipped ADVs. In each case, the motion correction based onmore » the inertial measurements dramatically reduced contamination from mooring motion. The spectra from these measurements have a shape that is consistent with other measurements in tidal channels, and have a f^(5/3) slope at high frequencies—consistent with Kolmogorov’s theory of isotropic turbulence. Motion correction also improves estimates of cross-spectra and Reynold’s stresses. Comparison of turbulence dissipation with flow speed and turbulence production indicates a bottom boundary layer production-dissipation balance during ebb and flood that is consistent with the strong tidal forcing at the site. These results indicate that inertial-motion-sensor-equipped ADVs are a valuable new tool for measuring turbulence from moorings.« less

Conjunctions between motion and disparity are encoded with the same spatial resolution as disparity alone.

PubMed

Allenmark, Fredrik; Read, Jenny C A

2012-10-10

Neurons in cortical area MT respond well to transparent streaming motion in distinct depth planes, such as caused by observer self-motion, but do not contain subregions excited by opposite directions of motion. We therefore predicted that spatial resolution for transparent motion/disparity conjunctions would be limited by the size of MT receptive fields, just as spatial resolution for disparity is limited by the much smaller receptive fields found in primary visual cortex, V1. We measured this using a novel "joint motion/disparity grating," on which human observers detected motion/disparity conjunctions in transparent random-dot patterns containing dots streaming in opposite directions on two depth planes. Surprisingly, observers showed the same spatial resolution for these as for pure disparity gratings. We estimate the limiting receptive field diameter at 11 arcmin, similar to V1 and much smaller than MT. Higher internal noise for detecting joint motion/disparity produces a slightly lower high-frequency cutoff of 2.5 cycles per degree (cpd) versus 3.3 cpd for disparity. This suggests that information on motion/disparity conjunctions is available in the population activity of V1 and that this information can be decoded for perception even when it is invisible to neurons in MT.

Turbulence Measurements from Compliant Moorings. Part II: Motion Correction

DOE PAGES

Kilcher, Levi F.; Thomson, Jim; Harding, Samuel; ...

2017-06-20

Acoustic Doppler velocimeters (ADVs) are a valuable tool for making high-precision measurements of turbulence, and moorings are a convenient and ubiquitous platform for making many kinds of measurements in the ocean. However, because of concerns that mooring motion can contaminate turbulence measurements and that acoustic Doppler profilers make middepth velocity measurements relatively easy, ADVs are not frequently deployed from moorings. This work demonstrates that inertial motion measurements can be used to reduce motion contamination from moored ADV velocity measurements. Three distinct mooring platforms were deployed in a tidal channel with inertial-motion-sensor-equipped ADVs. In each case, motion correction based on themore » inertial measurements reduces mooring motion contamination of velocity measurements. The spectra from these measurements are consistent with other measurements in tidal channels and have an f –5/3 slope at high frequencies - consistent with Kolmogorov's theory of isotropic turbulence. Motion correction also improves estimates of cross spectra and Reynolds stresses. A comparison of turbulence dissipation with flow speed and turbulence production indicates a bottom boundary layer production-dissipation balance during ebb and flood that is consistent with the strong tidal forcing at the site. Finally, these results indicate that inertial-motion-sensor-equipped ADVs are a valuable new tool for making high-precision turbulence measurements from moorings.« less

The IRIS DMC: Perspectives on Real-Time Data Management and Open Access From a Large Seismological Archive: Challenges, Tools, and Quality Assurance

NASA Astrophysics Data System (ADS)

Benson, R. B.

2007-05-01

The IRIS Data Management Center, located in Seattle, WA, is the largest openly accessible geophysical archive in the world, and has a unique perspective on data management and operational practices that gets the most out of your network. Networks scale broad domains in time and space, from finite needs to monitor bridges and dams to national and international networks like the GSN and the FDSN that establish a baseline for global monitoring and research, the requirements that go into creating a well-tuned DMC archive treat these the same, building a collaborative network of networks that generations of users rely on and adds value to the data. Funded by the National Science Foundation through the Division of Earth Sciences, IRIS is operated through member universities and in cooperation with the USGS, and the DMS facility is a bridge between a globally distributed collaboration of seismic networks and an equally distributed network of users that demand a high standard for data quality, completeness, and ease of access. I will describe the role that a perpetual archive has in the life cycle of data, and how hosting real-time data performs a dual role of being a hub for continuous data from approximately 59 real-time networks, and distributing these (along with other data from the 40-year library of available time-series data) to researchers, while simultaneously providing shared data back to networks in real- time that benefits monitoring activities. I will describe aspects of our quality-assurance framework that are both passively and actively performed on 1100 seismic stations, generating over 6,000 channels of regularly sampled data arriving daily, that data providers can use as aids in operating their network, and users can likewise use when requesting suitable data for research purposes. The goal of the DMC is to eliminate bottlenecks in data discovery and shortening the steps leading to analysis. This includes many challenges, including keeping metadata current, tools for evaluating and viewing them, along with measuring and creating databases of other performance metrics and how monitoring them closer to real- time helps reduce operation costs, creates a richer repository, and eliminates problems over generations of duty cycles of data usage. I will describe a new resource, called the Nominal Response Library, which hopes to provide accurate and representative examples of sensor and data logger configurations that are hosted at the DMC and constitute a high-graded subset for crafting your own metadata. Finally, I want to encourage all network operators who do not currently submit SEED format data to an archive to consider these benefits, and briefly discuss how robust transfer mechanisms that include Earthworm, LISS, Antelope, NRTS and SeisComp, to name a few, can assist you in contributing your network data and help create this enabling virtual network of networks. In this era of high performance Internet capacity, the process that enables others to share your data and allows you to utilize external sources of data is nearly seamless with your current mission of network operation.

A Real-time, Borehole, Geophysical Observatory Above The Cascadia Subduction Zone

NASA Astrophysics Data System (ADS)

Collins, J. A.; McGuire, J. J.; Becker, K.; O'Brien, J. K.; von der Heydt, K.; Heesemann, M.; Davis, E. E.

2017-12-01

In July 2016, a team from WHOI and RSMAS installed a suite of seismic, geodetic and geothermal sensors in IODP borehole U1364A on the Cascadia Accretionary Prism offshore Vancouver Island. The borehole observatory was connected to the Clayoquot Slope node of the Ocean Networks Canada NEPTUNE Observatory in June 2017. The 3 km long extension cable provides power, timing, and internet connectivity. The borehole sits 4 km above the subduction zone thrust interface, and when drilled in 2010 was instrumented with an ACORK (Advanced Circulation Obviation Retrofit Kit) that allows monitoring and sampling of fluids from multiple zones within the 330 m drilled formation. The borehole ground-motion sensors consist of a broadband seismometer and two geodetic-quality (nano-radian resolution) two-axis tilt sensors clamped to the borehole casing wall at a depth of 277 m below the seafloor. The tilt sensors were selected to detect non-seismic, strain-related transients. A 24-thermistor cable extends from the seafloor to just above the seismometer and tilt-sensor package. The seismic and geodetic data have been flowing from the observatory (network code NV, station code CQS64, location codes B1, B2, and B3) since June and are available from the IRIS DMC. Initial inspection of the seismic and geodetic data shows that all sensors are operating well. We will report on station performance and detection thresholds using an anticipated 5 month duration data set.

Co-development of manner and path concepts in language, action, and eye-gaze behavior.

PubMed

Lohan, Katrin S; Griffiths, Sascha S; Sciutti, Alessandra; Partmann, Tim C; Rohlfing, Katharina J

2014-07-01

In order for artificial intelligent systems to interact naturally with human users, they need to be able to learn from human instructions when actions should be imitated. Human tutoring will typically consist of action demonstrations accompanied by speech. In the following, the characteristics of human tutoring during action demonstration will be examined. A special focus will be put on the distinction between two kinds of motion events: path-oriented actions and manner-oriented actions. Such a distinction is inspired by the literature pertaining to cognitive linguistics, which indicates that the human conceptual system can distinguish these two distinct types of motion. These two kinds of actions are described in language by more path-oriented or more manner-oriented utterances. In path-oriented utterances, the source, trajectory, or goal is emphasized, whereas in manner-oriented utterances the medium, velocity, or means of motion are highlighted. We examined a video corpus of adult-child interactions comprised of three age groups of children-pre-lexical, early lexical, and lexical-and two different tasks, one emphasizing manner more strongly and one emphasizing path more strongly. We analyzed the language and motion of the caregiver and the gazing behavior of the child to highlight the differences between the tutoring and the acquisition of the manner and path concepts. The results suggest that age is an important factor in the development of these action categories. The analysis of this corpus has also been exploited to develop an intelligent robotic behavior-the tutoring spotter system-able to emulate children's behaviors in a tutoring situation, with the aim of evoking in human subjects a natural and effective behavior in teaching to a robot. The findings related to the development of manner and path concepts have been used to implement new effective feedback strategies in the tutoring spotter system, which should provide improvements in human-robot interaction. Copyright © 2014 Cognitive Science Society, Inc.

Motional studies of one and two laser-cooled trapped ions for electric-field sensing applications

NASA Astrophysics Data System (ADS)

Domínguez, F.; Gutiérrez, M. J.; Arrazola, I.; Berrocal, J.; Cornejo, J. M.; Del Pozo, J. J.; Rica, R. A.; Schmidt, S.; Solano, E.; Rodríguez, D.

2018-03-01

We have studied the dynamics of one and two laser-cooled trapped ?Ca? ions by applying electric fields of different nature along the axial direction of the trap, namely, driving the motion with a harmonic dipolar field, or with white noise. These two types of driving induce distinct motional states of the axial modes: a coherent oscillation with the dipolar field, or an enhanced Brownian motion due to an additional contribution to the heating rate from the electric noise. In both scenarios, the sensitivity of an isolated ion and a laser-cooled two-ion crystal has been evaluated and compared. The analysis and understanding of this dynamics is important towards the implementation of a novel Penning trap mass-spectroscopy technique based on optical detection, aiming at improving precision and sensitivity.

Attractors of relaxation discrete-time systems with chaotic dynamics on a fast time scale.

PubMed

Maslennikov, Oleg V; Nekorkin, Vladimir I

2016-07-01

In this work, a new type of relaxation systems is considered. Their prominent feature is that they comprise two distinct epochs, one is slow regular motion and another is fast chaotic motion. Unlike traditionally studied slow-fast systems that have smooth manifolds of slow motions in the phase space and fast trajectories between them, in this new type one observes, apart the same geometric objects, areas of transient chaos. Alternating periods of slow regular motions and fast chaotic ones as well as transitions between them result in a specific chaotic attractor with chaos on a fast time scale. We formulate basic properties of such attractors in the framework of discrete-time systems and consider several examples. Finally, we provide an important application of such systems, the neuronal electrical activity in the form of chaotic spike-burst oscillations.

Present-day kinematics of the Rivera plate and implications for tectonics in southwestern Mexico

NASA Technical Reports Server (NTRS)

Demets, Charles; Stein, Seth

1990-01-01

A model for the present-day motion of the Rivera plate relative to the North America, Cocos, and Pacific plates is derived using new data from the Pacific-Rivera rise and Rivera transform fault, together with new estimates of Pacific-Rivera motions. The results are combined with the closure-consistent NUVEL-1 global plate motion model of DeMets et al. (1990) to examine present-day deformation in southwestern Mexico. The analysis addresses several questions raised in previous studies of the Rivera plate. Namely, do plate motion data from the northern East Pacific rise require a distinct Rivera plate? Do plate kinematic data require the subduction of the Rivera plate along the seismically quiescent Acapulco trench? If so, what does the predicted subduction rate imply about the earthquake recurrence interval in the Jalisco region of southwestern Mexico?

Chaos and nonlinear dynamics of single-particle orbits in a magnetotaillike magnetic field

NASA Technical Reports Server (NTRS)

Chen, J.; Palmadesso, P. J.

1986-01-01

The properties of charged-particle motion in Hamiltonian dynamics are studied in a magnetotaillike magnetic field configuration. It is shown by numerical integration of the equation of motion that the system is generally nonintegrable and that the particle motion can be classified into three distinct types of orbits: bounded integrable orbits, unbounded stochastic orbits, and unbounded transient orbits. It is also shown that different regions of the phase space exhibit qualitatively different responses to external influences. The concept of 'differential memory' in single-particle distributions is proposed. Physical implications for the dynamical properties of the magnetotail plasmas and the possible generation of non-Maxwellian features in the distribution functions are discussed.

Large-scale influences in near-wall turbulence.

PubMed

Hutchins, Nicholas; Marusic, Ivan

2007-03-15

Hot-wire data acquired in a high Reynolds number facility are used to illustrate the need for adequate scale separation when considering the coherent structure in wall-bounded turbulence. It is found that a large-scale motion in the log region becomes increasingly comparable in energy to the near-wall cycle as the Reynolds number increases. Through decomposition of fluctuating velocity signals, it is shown that this large-scale motion has a distinct modulating influence on the small-scale energy (akin to amplitude modulation). Reassessment of DNS data, in light of these results, shows similar trends, with the rate and intensity of production due to the near-wall cycle subject to a modulating influence from the largest-scale motions.

Schematic construction of flanged nanobearings from double-walled carbon nanotubes.

PubMed

Shenai, Prathamesh Mahesh; Zhao, Yang

2010-08-01

The performance of nanobearings constructed from double walled carbon nanotubes is considered to be crucially dependent on the initial rotational speed. Wearless rotation ceases for a nanobearing operating beyond a certain angular velocity. We propose a new design of nanobearings by manipulation of double walled carbon nanotubes leading to a flanged structure which possesses a built-in hindrance to the intertube oscillation without obstructing rotational motion. Through blocking the possible leakage path for rotational kinetic energy to the intertube oscillatory motion, the flanged bearing lowers its dissipative tendency when set into motion. Using molecular dynamics, it is shown that on account of its distinctive structure, the flanged bearing has superior operating characteristics and a broader working domain.

The perception of object versus objectless motion.

PubMed

Hock, Howard S; Nichols, David F

2013-05-01

Wertheimer, M. (Zeitschrift für Psychologie und Physiologie der Sinnesorgane, 61:161-265, 1912) classical distinction between beta (object) and phi (objectless) motion is elaborated here in a series of experiments concerning competition between two qualitatively different motion percepts, induced by sequential changes in luminance for two-dimensional geometric objects composed of rectangular surfaces. One of these percepts is of spreading-luminance motion that continuously sweeps across the entire object; it exhibits shape invariance and is perceived most strongly for fast speeds. Significantly for the characterization of phi as objectless motion, the spreading luminance does not involve surface boundaries or any other feature; the percept is driven solely by spatiotemporal changes in luminance. Alternatively, and for relatively slow speeds, a discrete series of edge motions can be perceived in the direction opposite to spreading-luminance motion. Akin to beta motion, the edges appear to move through intermediate positions within the object's changing surfaces. Significantly for the characterization of beta as object motion, edge motion exhibits shape dependence and is based on the detection of oppositely signed changes in contrast (i.e., counterchange) for features essential to the determination of an object's shape, the boundaries separating its surfaces. These results are consistent with area MT neurons that differ with respect to speed preference Newsome et al (Journal of Neurophysiology, 55:1340-1351, 1986) and shape dependence Zeki (Journal of Physiology, 236:549-573, 1974).

Hotspot motion caused the Hawaiian-Emperor Bend and LLSVPs are not fixed

NASA Astrophysics Data System (ADS)

Tarduno, J. A.; Bono, R. K.

2017-12-01

Paleomagnetic study of volcanic rocks remains the gold standard on which to assess hotspot motion, true polar wander and plate motion recorded by oceanic plates. There is remarkable consistency between paleomagnetic results from basaltic lavas recovered by ocean drilling of the Emperor seamounts, and independent predictions of plate circuits. Both reveal greater than 40 mm/yr of southward hotspot motion; thus the dominant reason for the distinct bend morphology the Hawaiian-Emperor track is hotspot motion rather than plate motion. These findings provide the motivation for moving beyond hotspot fixity to understand mantle processes responsible for the observed motions. Global analyses as well as comparisons between the Hawaiian-Emperor and Louisville tracks indicate only a minor (if any) role for true polar wander. Two viable, non-mutually exclusive processes to explain the observed Hawaiian plume motion are: i. plume-ridge and ii plume-LLSVP interaction. Here we further explore these issues by paleomagnetic analyses of basalts from the Cenozoic Hawaiian chain and Late Cretaceous basalts of the southernmost Pacific Plate. The latter yield paleolatitudes consistent with those from the northern Pacific, indicating that long-standing non-dipole fields cannot have been large enough to affect conclusions on hotspot drift. Data from the former suggest some relative motions between the LLSVPs on tens-of-millions of year time scales, which probably record the continual reshaping of these provinces by plume motion in the lower mantle.

DEIMOS-1 Announcement of Opportunity: New Challenges and Achievements

NASA Astrophysics Data System (ADS)

Casanova, J.-L.; Duque, P.; Calle, A.; Romo, A.; Sanz, J.; Bello, M.

2010-12-01

This paper will show the projects and results obtained as consequence of the Deimos-1 Announcement of Opportunity, AO, offered by the Spanish company Deimos Imaging, owner and manager of the first commercial Spanish satellite dedicated to Earth Observation: Deimos-1. The satellite Deimos-1 belongs to the DMC (Disaster Managing Constellation) and it was launched on July, 2009, by means of a Dnepr rocket, from the Russian cosmodrome of Baikonur.

Performance Loss of Lithium Ion Polymer Batteries Subjected to Overcharge and Overdischarge Abuse

DTIC Science & Technology

2012-11-16

hexafluorophosphate EC: ethylene carbonate DEC: diethyl carbonate DMC: dimethyl carbonate PC: propylene carbonate     2    2. Introduction  Lithium -ion...Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6110--12-9455 Performance Loss of Lithium Ion Polymer Batteries Subjected to Overcharge...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Performance Loss of Lithium Ion Polymer Batteries Subjected to Overcharge and

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jayaraman, R.; Vickraman, P., E-mail: vrsvickraman@yahoo.com; Subramanian, N. M. V.

Impedance, XRD, DSC and FTIR studies had been carried out for PVdF-co-HFP/LIBETI based system for three plasticizer (EC/DMC) – filler (PbTiO3) weight ratios. The enhanced conductivity 4.18 × 10{sup −5} Scm{sup −1} was noted for 57.5 wt% −7.5 wt% plasticizer – filler. while blending PEMA to PVdF-co-HFP respectively 7.5: 22.5 wt % (3/7), 15 wt%: 15 wt % (5/5) and 22.5wt %: 7.5 wt % (7/3), the improved conductivity was noted for 3/7 ratio 1.22 × 10{sup −5} S cm{sup −1} and its temperature dependence abide Arrhenius behavior. The intensity of peaks in XRD diffractogram registered dominance of lead titanate,more » from 2θ = 10° to 80° and absence of VdF crystallites (α+β phase) was noted. In DSC studies, the presence of the exotherm events, filler effect was distinctively seen exhibiting recrystallization of VdF crystallites. In blending PEMA, however, no trace of exotherms was found suggestive of PEMA better inhibiting recrystallization. FTIR study confirmed molecular interactions of various constituents in the vibrational band 500 – 1000 cm{sup −1} both in pristine PVdF-co-HFP and PEMA blended composites with reference to C-F stretching, C-H stretching and C=O carbonyl bands.« less

Effects of scopolamine on autonomic profiles underlying motion sickness susceptibility

NASA Technical Reports Server (NTRS)

Uijtdehaage, Sebastian H. J.; Stern, Robert M.; Koch, Kenneth L.

1993-01-01

The purpose of this study was to examine the effects of scopolamine on the physiological patterns occurring prior to and during motion sickness stimulation. In addition, the use of physiological profiles in the prediction of motion sickness was evaluated. Sixty subjects ingested either 0.6 mg scopolamine, 2.5 mg methoscopolamine, or a placebo. Heart rate (HR), respiratory sinus arrhythmia (an index of vagal tone), and electrogastrograms were measured prior to and during the exposure to a rotating optokinetic drum. Compared to the other groups, the scopolamine group reported fewer motion sickness symptoms, and displayed lower HR, higher vagal tone, enhanced normal gastric myoelectric activity, and depressed gastric dysrhythmias before and during motion sickness induction. Distinct physiological profiles prior to drum rotation could reliably differentiate individuals who would develop gastric discomfort from those who would not. Symptom-free subjects were characterized by high levels of vagal tone and low HR across conditions, and by maintaining normal (3 cpm) electrogastrographic activity during drum rotation. It was concluded that scopolamine offered motion sickness protection by initiating a pattern of increased vagal tone and gastric myoelectric stability.

The fate of task-irrelevant visual motion: perceptual load versus feature-based attention.

PubMed

Taya, Shuichiro; Adams, Wendy J; Graf, Erich W; Lavie, Nilli

2009-11-18

We tested contrasting predictions derived from perceptual load theory and from recent feature-based selection accounts. Observers viewed moving, colored stimuli and performed low or high load tasks associated with one stimulus feature, either color or motion. The resultant motion aftereffect (MAE) was used to evaluate attentional allocation. We found that task-irrelevant visual features received less attention than co-localized task-relevant features of the same objects. Moreover, when color and motion features were co-localized yet perceived to belong to two distinct surfaces, feature-based selection was further increased at the expense of object-based co-selection. Load theory predicts that the MAE for task-irrelevant motion would be reduced with a higher load color task. However, this was not seen for co-localized features; perceptual load only modulated the MAE for task-irrelevant motion when this was spatially separated from the attended color location. Our results suggest that perceptual load effects are mediated by spatial selection and do not generalize to the feature domain. Feature-based selection operates to suppress processing of task-irrelevant, co-localized features, irrespective of perceptual load.

Visual motion detection and habitat preference in Anolis lizards.

PubMed

Steinberg, David S; Leal, Manuel

2016-11-01

The perception of visual stimuli has been a major area of inquiry in sensory ecology, and much of this work has focused on coloration. However, for visually oriented organisms, the process of visual motion detection is often equally crucial to survival and reproduction. Despite the importance of motion detection to many organisms' daily activities, the degree of interspecific variation in the perception of visual motion remains largely unexplored. Furthermore, the factors driving this potential variation (e.g., ecology or evolutionary history) along with the effects of such variation on behavior are unknown. We used a behavioral assay under laboratory conditions to quantify the visual motion detection systems of three species of Puerto Rican Anolis lizard that prefer distinct structural habitat types. We then compared our results to data previously collected for anoles from Cuba, Puerto Rico, and Central America. Our findings indicate that general visual motion detection parameters are similar across species, regardless of habitat preference or evolutionary history. We argue that these conserved sensory properties may drive the evolution of visual communication behavior in this clade.

Thought Speed, Mood, and the Experience of Mental Motion.

PubMed

Pronin, Emily; Jacobs, Elana

2008-11-01

This article presents a theoretical account relating thought speed to mood and psychological experience. Thought sequences that occur at a fast speed generally induce more positive affect than do those that occur slowly. Thought speed constitutes one aspect of mental motion. Another aspect involves thought variability, or the degree to which thoughts in a sequence either vary widely from or revolve closely around a theme. Thought sequences possessing more motion (occurring fast and varying widely) generally produce more positive affect than do sequences possessing little motion (occurring slowly and repetitively). When speed and variability oppose each other, such that one is low and the other is high, predictable psychological states also emerge. For example, whereas slow, repetitive thinking can prompt dejection, fast, repetitive thinking can prompt anxiety. This distinction is related to the fact that fast thinking involves greater actual and felt energy than slow thinking does. Effects of mental motion occur independent of the specific content of thought. Their consequences for mood and energy hold psychotherapeutic relevance. © 2008 Association for Psychological Science.

Topographic enhancement of tidal motion in the western Barents Sea

NASA Technical Reports Server (NTRS)

Kowalik, Z.; Proshutinsky, A. YU.

1995-01-01

A high-resolution numerical lattice is used to study a topographically trapped motion around islands and shallow banks of the western Barents Sea caused both by the semidiurnal and diurnal tidal waves. Observations and model computations in the vicinity of Bear Island show well-developed trapped motion with distinctive tidal oscillatory motion. Numerical investigations demonstrate that one source of the trapped motion is tidal current rectification over shallow topgraphy. Tidal motion supports residual currents of the order of 8 cm/s around Bear Island and shallow Spitsbergenbanken. The structures of enhanced tidal currents for the semidiurnal components are generated in the shallow areas due to topographic amplification. In the diurnal band of oscillations the maximum current is associated with the shelf wave occurrence. Residual currents due to diurnal tides occur at both the shallow areas and the shelf slope in regions of maximum topographic gradients. Surface manifestation of the diurnal current enhancement is the local maximum of tidal amplitude at the shelf break of the order of 5 to 10 cm. Tidal current enhancement and tidally generated residual currents in the Bear Island and Spitsbergenabanken regions cause an increased generation of ice leads, ridges and, trapped motion of the ice floes.

Neurons Forming Optic Glomeruli Compute Figure–Ground Discriminations in Drosophila

PubMed Central

Aptekar, Jacob W.; Keleş, Mehmet F.; Lu, Patrick M.; Zolotova, Nadezhda M.

2015-01-01

Many animals rely on visual figure–ground discrimination to aid in navigation, and to draw attention to salient features like conspecifics or predators. Even figures that are similar in pattern and luminance to the visual surroundings can be distinguished by the optical disparity generated by their relative motion against the ground, and yet the neural mechanisms underlying these visual discriminations are not well understood. We show in flies that a diverse array of figure–ground stimuli containing a motion-defined edge elicit statistically similar behavioral responses to one another, and statistically distinct behavioral responses from ground motion alone. From studies in larger flies and other insect species, we hypothesized that the circuitry of the lobula—one of the four, primary neuropiles of the fly optic lobe—performs this visual discrimination. Using calcium imaging of input dendrites, we then show that information encoded in cells projecting from the lobula to discrete optic glomeruli in the central brain group these sets of figure–ground stimuli in a homologous manner to the behavior; “figure-like” stimuli are coded similar to one another and “ground-like” stimuli are encoded differently. One cell class responds to the leading edge of a figure and is suppressed by ground motion. Two other classes cluster any figure-like stimuli, including a figure moving opposite the ground, distinctly from ground alone. This evidence demonstrates that lobula outputs provide a diverse basis set encoding visual features necessary for figure detection. PMID:25972183

Neurons forming optic glomeruli compute figure-ground discriminations in Drosophila.

PubMed

Aptekar, Jacob W; Keleş, Mehmet F; Lu, Patrick M; Zolotova, Nadezhda M; Frye, Mark A

2015-05-13

Many animals rely on visual figure-ground discrimination to aid in navigation, and to draw attention to salient features like conspecifics or predators. Even figures that are similar in pattern and luminance to the visual surroundings can be distinguished by the optical disparity generated by their relative motion against the ground, and yet the neural mechanisms underlying these visual discriminations are not well understood. We show in flies that a diverse array of figure-ground stimuli containing a motion-defined edge elicit statistically similar behavioral responses to one another, and statistically distinct behavioral responses from ground motion alone. From studies in larger flies and other insect species, we hypothesized that the circuitry of the lobula--one of the four, primary neuropiles of the fly optic lobe--performs this visual discrimination. Using calcium imaging of input dendrites, we then show that information encoded in cells projecting from the lobula to discrete optic glomeruli in the central brain group these sets of figure-ground stimuli in a homologous manner to the behavior; "figure-like" stimuli are coded similar to one another and "ground-like" stimuli are encoded differently. One cell class responds to the leading edge of a figure and is suppressed by ground motion. Two other classes cluster any figure-like stimuli, including a figure moving opposite the ground, distinctly from ground alone. This evidence demonstrates that lobula outputs provide a diverse basis set encoding visual features necessary for figure detection. Copyright © 2015 the authors 0270-6474/15/357587-13$15.00/0.

Relationship between motion sickness, migraine and menstruation in crew members of a "round the world" yacht race.

PubMed

Grunfeld, E; Gresty, M A

1998-11-15

The similarities between the symptoms reported by patients with migraine and those experienced by severely motion sick individuals raises the question of whether the two conditions involve common mechanisms. In women, attacks of migraine may follow the menstrual cycle, and anecdote suggests this may also be true of motion sickness. The aim of this study was to determine whether there was a cyclical pattern in the occurrence of migraine/headache and motion sickness among crew members of a "round the world" yacht race. The participants were asked to complete pre- and postrace questionnaires that related to their susceptibility to motion sickness and headache/migraine; additionally, the female subjects were asked for details about their menstrual cycle. During the race the subjects completed a logbook to record the occurrence of motion sickness (using a four-point scale), migraine/headache (including the type of headache), menstruation, medication consumption and duties aboard the yacht. Female sailors were found to be more prone to motion sickness than the males. Motion sickness was also found to be linked to time at sea, and subjects who suffered migraine during the race were also more susceptible to motion sickness. A distinct pattern was found in the occurrence of motion sickness and headache that related to the menstrual cycle, although motion sickness and headache did not generally occur together in most of the subjects. A cyclical pattern was not obvious for the male subjects.

Measurements of three-dimensional shape and sound-induced motion of the chinchilla tympanic membrane

PubMed Central

Rosowski, John J; Dobrev, Ivo; Khaleghi, Morteza; Lu, Weina; Cheng, Jeffrey Tao; Harrington, Ellery; Furlong, Cosme

2013-01-01

Opto-electronic computer holographic measurements were made of the tympanic membrane (TM) in cadaveric chinchillas. Measurements with two laser wavelengths were used to compute the 3D-shape of the TM. Single laser wavelength measurements locked to eight distinct phases of a tonal stimulus were used to determine the magnitude and the relative phase of the surface displacements. These measurements were made at over 250,000 points on the TM surface. The measured motions contained spatial phase variations consistent with relatively low-order (large spatial frequency) modal motions and smaller magnitude higher-order (smaller spatial frequency) motions that appear to travel, but may also be explained by losses within the membrane. The measurement of shape and thin shell theory allowed us to separate the measured motions into those components orthogonal to the plane of the tympanic ring, and those components within the plane of the tympanic ring based on the 3D-shape. The predicted in-plane motion components are generally smaller than the out-of-plane perpendicular component of motion. Since the derivation of in-plane and out-of plane depended primarily on the membrane shape, the relative sizes of the predicted motion components did not vary with frequency. PMID:23247058

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kilcher, Levi F.; Thomson, Jim; Harding, Samuel

Acoustic Doppler velocimeters (ADVs) are a valuable tool for making high-precision measurements of turbulence, and moorings are a convenient and ubiquitous platform for making many kinds of measurements in the ocean. However, because of concerns that mooring motion can contaminate turbulence measurements and that acoustic Doppler profilers make middepth velocity measurements relatively easy, ADVs are not frequently deployed from moorings. This work demonstrates that inertial motion measurements can be used to reduce motion contamination from moored ADV velocity measurements. Three distinct mooring platforms were deployed in a tidal channel with inertial-motion-sensor-equipped ADVs. In each case, motion correction based on themore » inertial measurements reduces mooring motion contamination of velocity measurements. The spectra from these measurements are consistent with other measurements in tidal channels and have an f –5/3 slope at high frequencies - consistent with Kolmogorov's theory of isotropic turbulence. Motion correction also improves estimates of cross spectra and Reynolds stresses. A comparison of turbulence dissipation with flow speed and turbulence production indicates a bottom boundary layer production-dissipation balance during ebb and flood that is consistent with the strong tidal forcing at the site. Finally, these results indicate that inertial-motion-sensor-equipped ADVs are a valuable new tool for making high-precision turbulence measurements from moorings.« less

The effect of spatial orientation on detecting motion trajectories in noise.

PubMed

Pavan, Andrea; Casco, Clara; Mather, George; Bellacosa, Rosilari M; Cuturi, Luigi F; Campana, Gianluca

2011-09-15

A series of experiments investigated the extent to which the spatial orientation of a signal line affects discrimination of its trajectory from the random trajectories of background noise lines. The orientation of the signal line was either parallel (iso-) or orthogonal (ortho-) to its motion direction and it was identical in all respects to the noise (orientation, length and speed) except for its motion direction, rendering the signal line indistinguishable from the noise on a frame-to-frame basis. We found that discrimination of ortho-trajectories was generally better than iso-trajectories. Discrimination of ortho-trajectories was largely immune to the effects of spatial jitter in the trajectory, and to variations in step size and line-length. Discrimination of iso-trajectories was reliable provided that step-size was not too short and did not exceed line length, and that the trajectory was straight. The new result that trajectory discrimination in moving line elements is modulated by line orientation suggests that ortho- and iso-trajectory discrimination rely upon two distinct mechanisms: iso-motion discrimination involves a 'motion-streak' process that combines motion information with information about orientation parallel to the motion trajectory, while ortho-motion discrimination involves extended trajectory facilitation in a network of receptive fields with orthogonal orientation tuning. Copyright © 2011 Elsevier Ltd. All rights reserved.

Discrimination of animate and inanimate motion in 9-month-old infants: an ERP study.

PubMed

Kaduk, Katharina; Elsner, Birgit; Reid, Vincent M

2013-10-01

Simple geometric shapes moving in a self-propelled manner, and violating Newtonian laws of motion by acting against gravitational forces tend to induce a judgement that an object is animate. Objects that change their motion only due to external causes are more likely judged as inanimate. How the developing brain is employed in the perception of animacy in early ontogeny is currently unknown. The aim of this study was to use ERP techniques to determine if the negative central component (Nc), a waveform related to attention allocation, was differentially affected when an infant observed animate or inanimate motion. Short animated movies comprising a marble moving along a marble run either in an animate or an inanimate manner were presented to 15 infants who were 9 months of age. The ERPs were time-locked to a still frame representing animate or inanimate motion that was displayed following each movie. We found that 9-month-olds are able to discriminate between animate and inanimate motion based on motion cues alone and most likely allocate more attentional resources to the inanimate motion. The present data contribute to our understanding of the animate-inanimate distinction and the Nc as a correlate of infant cognitive processing. Copyright © 2013 Elsevier Ltd. All rights reserved.

Simulated self-motion in a visual gravity field: sensitivity to vertical and horizontal heading in the human brain.

PubMed

Indovina, Iole; Maffei, Vincenzo; Pauwels, Karl; Macaluso, Emiliano; Orban, Guy A; Lacquaniti, Francesco

2013-05-01

Multiple visual signals are relevant to perception of heading direction. While the role of optic flow and depth cues has been studied extensively, little is known about the visual effects of gravity on heading perception. We used fMRI to investigate the contribution of gravity-related visual cues on the processing of vertical versus horizontal apparent self-motion. Participants experienced virtual roller-coaster rides in different scenarios, at constant speed or 1g-acceleration/deceleration. Imaging results showed that vertical self-motion coherent with gravity engaged the posterior insula and other brain regions that have been previously associated with vertical object motion under gravity. This selective pattern of activation was also found in a second experiment that included rectilinear motion in tunnels, whose direction was cued by the preceding open-air curves only. We argue that the posterior insula might perform high-order computations on visual motion patterns, combining different sensory cues and prior information about the effects of gravity. Medial-temporal regions including para-hippocampus and hippocampus were more activated by horizontal motion, preferably at constant speed, consistent with a role in inertial navigation. Overall, the results suggest partially distinct neural representations of the cardinal axes of self-motion (horizontal and vertical). Copyright © 2013 Elsevier Inc. All rights reserved.

Pump-shaped dump optimal control reveals the nuclear reaction pathway of isomerization of a photoexcited cyanine dye.

PubMed

Dietzek, Benjamin; Brüggemann, Ben; Pascher, Torbjörn; Yartsev, Arkady

2007-10-31

Using optimal control as a spectroscopic tool we decipher the details of the molecular dynamics of the essential multidimensional excited-state photoisomerization - a fundamental chemical reaction of key importance in biology. Two distinct nuclear motions are identified in addition to the overall bond-twisting motion: Initially, the reaction is dominated by motion perpendicular to the torsion coordinate. At later times, a second optically active vibration drives the system along the reaction path to the bottom of the excited-state potential. The time scales of the wavepacket motion on a different part of the excited-state potential are detailed by pump-shaped dump optimal control. This technique offers new means to control a chemical reaction far from the Franck-Condon point of absorption and to map details of excited-state reaction pathways revealing unique insights into the underlying reaction mechanism.

Attractors of relaxation discrete-time systems with chaotic dynamics on a fast time scale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maslennikov, Oleg V.; Nekorkin, Vladimir I.

In this work, a new type of relaxation systems is considered. Their prominent feature is that they comprise two distinct epochs, one is slow regular motion and another is fast chaotic motion. Unlike traditionally studied slow-fast systems that have smooth manifolds of slow motions in the phase space and fast trajectories between them, in this new type one observes, apart the same geometric objects, areas of transient chaos. Alternating periods of slow regular motions and fast chaotic ones as well as transitions between them result in a specific chaotic attractor with chaos on a fast time scale. We formulate basicmore » properties of such attractors in the framework of discrete-time systems and consider several examples. Finally, we provide an important application of such systems, the neuronal electrical activity in the form of chaotic spike-burst oscillations.« less

Predicted space motions for hypervelocity and runaway stars: proper motions and radial velocities for the Gaia Era

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kenyon, Scott J.; Brown, Warren R.; Geller, Margaret J.

We predict the distinctive three-dimensional space motions of hypervelocity stars (HVSs) and runaway stars moving in a realistic Galactic potential. For nearby stars with distances less than 10 kpc, unbound stars are rare; proper motions alone rarely isolate bound HVSs and runaways from indigenous halo stars. At large distances of 20-100 kpc, unbound HVSs are much more common than runaways; radial velocities easily distinguish both from indigenous halo stars. Comparisons of the predictions with existing observations are encouraging. Although the models fail to match observations of solar-type HVS candidates from SEGUE, they agree well with data for B-type HVS andmore » runaways from other surveys. Complete samples of g ≲ 20 stars with Gaia should provide clear tests of formation models for HVSs and runaways and will enable accurate probes of the shape of the Galactic potential.« less

Generalized Arcsine Laws for Fractional Brownian Motion

NASA Astrophysics Data System (ADS)

Sadhu, Tridib; Delorme, Mathieu; Wiese, Kay Jörg

2018-01-01

The three arcsine laws for Brownian motion are a cornerstone of extreme-value statistics. For a Brownian Bt starting from the origin, and evolving during time T , one considers the following three observables: (i) the duration t+ the process is positive, (ii) the time tlast the process last visits the origin, and (iii) the time tmax when it achieves its maximum (or minimum). All three observables have the same cumulative probability distribution expressed as an arcsine function, thus the name arcsine laws. We show how these laws change for fractional Brownian motion Xt, a non-Markovian Gaussian process indexed by the Hurst exponent H . It generalizes standard Brownian motion (i.e., H =1/2 ). We obtain the three probabilities using a perturbative expansion in ɛ =H -1/2 . While all three probabilities are different, this distinction can only be made at second order in ɛ . Our results are confirmed to high precision by extensive numerical simulations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

Antioxidant and cytotoxic activities of Dendrobium moniliforme extracts and the detection of related compounds by GC-MS.

PubMed

Paudel, Mukti Ram; Chand, Mukesh Babu; Pant, Basant; Pant, Bijaya

2018-04-23

The medicinal orchid Dendrobium moniliforme contains water-soluble polysaccharides, phenanthrenes, bibenzyl derivatives, and polyphenol compounds. This study explored the antioxidant and cytotoxic activities of D. moniliforme extracts and detected their bioactive compounds. Plant material was collected from the Daman of Makawanpur district in central Nepal. Plant extracts were prepared from stems using hexane, chloroform, acetone, ethanol and methanol. The total polyphenol content (TPC) in each extract was determined using Folin-Ciocalteu's reagent and the total flavonoid content (TFC) in each extract was determined using the aluminium chloride method. The in vitro antioxidant and cytotoxic activities of each extract were determined using DPPH (2,2-diphenyl-1-picrylhydrazyl) and MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assays respectively. Gas chromatography and mass spectrometry (GC-MS) analysis was used to detect bioactive compounds. TPC content was highest (116.65 μg GAE/mg of extract) in D. moniliforme chloroform extract (DMC) and TFC content was highest (116.67 μg QE/mg of extract) in D. moniliforme acetone extract (DMA). D. moniliforme hexane extract (DMH) extract showed the highest percentage of DPPH radical scavenging activity (94.48%), followed closely by D. moniliforme ethanol extract (DME) (94.45%), DMA (93.71%) and DMC (94.35%) at 800 μg/ml concentration. The antioxidant capacities of DMC, DMA, DMH and DME, which were measured in IC 50 values, were much lower 42.39 μg/ml, 49.56 μg/ml, 52.68 μg/ml, and 58.77 μg/ml respectively than the IC 50 of D. moniliforme methanol extract (DMM) (223.15 μg/ml). DMM at the concentration of 800 μg/ml most inhibited the growth of HeLa cells (78.68%) and DME at the same concentration most inhibited the growth of U251 cells (51.95%). The cytotoxic capacity (IC 50 ) of DMM against HeLa cells was 155.80 μg/ml of extract and that of DME against the U251 cells was 772.50 μg/ml of extract. A number of bioactive compounds were detected in both DME and DMM. The fact that plant extract of D. moniliforme has a number of bioactive compounds which showed antioxidant and cytotoxic activities suggests the potential pharmacological importance of this plant.

MOTHER-INFANT INTERACTION IMPROVES WITH A DEVELOPMENTAL INTERVENTION FOR MOTHER-PRETERM INFANT DYADS

PubMed Central

White-Traut, Rosemary; Norr, Kathleen F.; Fabiyi, Camille; Rankin, Kristin M.; Li, Zhyouing; Liu, Li

2013-01-01

While premature infants have a high need for positive interactions, both infants and their mothers are challenged by the infant‘s biological immaturity. This randomized clinical trial of 198 premature infants born at 29–34 weeks gestation and their mothers examined the impact of the H-HOPE (Hospital to Home: Optimizing the Infant’s Environment) intervention on mother-premature infant interaction patterns at 6-weeks corrected age (CA). Mothers had at least 2 social environmental risk factors such as minority status or less than high school education. Mother-infant dyads were randomly assigned to the H-HOPE intervention group or an attention Control group. H-HOPE is an integrated intervention that included (1) twice-daily infant stimulation using the ATVV (auditory, tactile, visual, and vestibular-rocking stimulation) and (2) four maternal participatory guidance sessions plus two telephone calls by a nurse-community advocate team. Mother-infant interaction was assessed at 6-weeks CA using the Nursing Child Assessment Satellite Training–Feeding Scale (NCAST, 76 items) and the Dyadic Mutuality Code (DMC, 6-item contingency scale during a 5-minute play session). NCAST and DMC scores for the Control and H-HOPE groups were compared using t-tests, chi-square tests and multivariable analysis. Compared with the Control group (n = 76), the H-HOPE group (n = 66) had higher overall NCAST scores and higher maternal Social-Emotional Growth Fostering Subscale scores. The H-HOPE group also had significantly higher scores for the overall infant subscale and the Infant Clarity of Cues Subscale (p < 0.05). H-HOPE dyads were also more likely to have high responsiveness during play as measured by the DMC (67.6% versus 58.1% of controls). After adjustment for significant maternal and infant characteristics, H-HOPE dyads had marginally higher scores during feeding on overall mother-infant interaction (β = 2.03, p = .06) and significantly higher scores on the infant subscale (β = 0.75, p = .05) when compared to controls. In the adjusted analysis, H-HOPE dyads had increased odds of high versus low mutual responsiveness during play (OR = 2.37, 95% CI = 0.97, 5.80). Intervening with both mother and infant is a promising approach to help premature infants achieve the social interaction patterns essential for optimal development. PMID:23962543

Mother-infant interaction improves with a developmental intervention for mother-preterm infant dyads.

PubMed

White-Traut, Rosemary; Norr, Kathleen F; Fabiyi, Camille; Rankin, Kristin M; Li, Zhyouing; Liu, Li

2013-12-01

While premature infants have a high need for positive interactions, both infants and their mothers are challenged by the infant's biological immaturity. This randomized clinical trial of 198 premature infants born at 29-34 weeks gestation and their mothers examined the impact of the H-HOPE (Hospital to Home: Optimizing the Infant's Environment) intervention on mother-premature infant interaction patterns at 6-weeks corrected age (CA). Mothers had at least 2 social environmental risk factors such as minority status or less than high school education. Mother-infant dyads were randomly assigned to the H-HOPE intervention group or an attention control group. H-HOPE is an integrated intervention that included (1) twice-daily infant stimulation using the ATVV (auditory, tactile, visual, and vestibular-rocking stimulation) and (2) four maternal participatory guidance sessions plus two telephone calls by a nurse-community advocate team. Mother-infant interaction was assessed at 6-weeks CA using the Nursing Child Assessment Satellite Training-Feeding Scale (NCAST, 76 items) and the Dyadic Mutuality Code (DMC, 6-item contingency scale during a 5-min play session). NCAST and DMC scores for the Control and H-HOPE groups were compared using t-tests, chi-square tests and multivariable analysis. Compared with the Control group (n = 76), the H-HOPE group (n = 66) had higher overall NCAST scores and higher maternal Social-Emotional Growth Fostering Subscale scores. The H-HOPE group also had significantly higher scores for the overall infant subscale and the Infant Clarity of Cues Subscale (p < 0.05). H-HOPE dyads were also more likely to have high responsiveness during play as measured by the DMC (67.6% versus 58.1% of controls). After adjustment for significant maternal and infant characteristics, H-HOPE dyads had marginally higher scores during feeding on overall mother-infant interaction (β = 2.03, p = 0.06) and significantly higher scores on the infant subscale (β = 0.75, p = 0.05) when compared to controls. In the adjusted analysis, H-HOPE dyads had increased odds of high versus low mutual responsiveness during play (OR = 2.37, 95% CI = 0.97, 5.80). Intervening with both mother and infant is a promising approach to help premature infants achieve the social interaction patterns essential for optimal development. Copyright © 2013 Elsevier Inc. All rights reserved.

Provider reported barriers and solutions to improve testing among tuberculosis patients ‘eligible for drug susceptibility test’: A qualitative study from programmatic setting in India

PubMed Central

Parmar, Malik; Verma, Manoj; Desikan, Prabha; Khan, Sheeba Naz; Kumar, Ajay M. V.

2018-01-01

Background In a study conducted in Bhopal district (a setting with facility for molecular drug susceptibility testing (DST)) located in central India in 2014–15, we found high levels of pre-diagnosis attrition among patients with presumptive multi drug-resistant tuberculosis (MDR-TB)–meaning TB patients who were eligible for DST, were not being tested. Objectives In this study, we explored the health care provider perspectives into barriers and suggested solutions for improving DST. Methods This was a descriptive qualitative study. One to one interviews (n = 10) and focus group discussions (n = 2) with experienced key informants involved in programmatic management of DR-TB were conducted in April 2017. Manual descriptive thematic analysis was performed. Results The key barriers reported were a) lack of or delay in identification of patients eligible for DST because of using treatment register as the source for identifying patients b) lack of assured specimen transport after patient identification and c) lack of tracking. Extra pulmonary TB patients were not getting identified as eligible for DST. Solutions suggested by the health care providers were i) generation of unique identifier at identification in designated microscopy center (DMC), immediate intimation of unique identifier to district and regular monitoring by senior TB laboratory and senior treatment supervisors of patients eligible for DST that were missed; ii) documentation of unique identifier at each step of cascade; iii) use of human carriers/couriers to transport specimen from DMCs especially in rural areas; and iv) routine entry of all presumptive extra-pulmonary TB specimen, as far as possible, in DMC laboratory register. Conclusion Lack of assured specimen transport and lack of accountability for tracking patient after identification and referral were the key barriers. The identification of patients eligible for DST among microbiologically confirmed TB at the time of diagnosis and among clinically confirmed TB at the time of treatment initiation is the key. Use of unique identifier at identification and its use to ensure cohort wise tracking has to be complemented with specimen transport support and prompt feedback to the DMC. The study has implications to improve detection of MDR-TB among diagnosed/notified TB patients. PMID:29677210

The Central and Eastern U.S. Seismic Network: Legacy of USArray

NASA Astrophysics Data System (ADS)

Eakins, J. A.; Astiz, L.; Benz, H.; Busby, R. W.; Hafner, K.; Reyes, J. C.; Sharer, G.; Vernon, F.; Woodward, R.

2014-12-01

As the USArray Transportable Array entered the central and eastern United States, several Federal agencies (National Science Foundation, U.S. Geological Survey, U.S. Nuclear Regulatory Commission, and Department of Energy) recognized the unique opportunity to retain TA stations beyond the original timeline. The mission of the CEUSN is to produce data that enables researchers and Federal agencies alike to better understand the basic geologic questions, background earthquake rates and distribution, seismic hazard potential, and associated societal risks of this region. The selected long-term sub-array from Transportable Array (TA) stations includes nearly 200 sites, complemented by 100 broadband stations from the existing regional seismic networks to form the Central and Eastern United States Network (CEUSN). Multiple criteria for site selection were weighed by an inter-agency TA Station Selection (TASS) Working Group: seismic noise characteristics, data availability in real time, proximity to nuclear power plants, and homogeneous distribution throughout the region. The Array Network Facility (ANF) started collecting data for CEUSN network stations since late 2013, with all stations collected since May 2014. Regional seismic data streams are collected in real-time from the IRIS Data Management Center (DMC). TA stations selected to be part of CEUSN, retain the broadband sensor to which a 100 sps channel is added, the infrasound and environmental channels, and, at some stations, accelerometers are deployed. The upgraded sites become part of the N4 network for which ANF provides metadata and can issue remote commands to the station equipment. Stations still operated by TA, but planned for CEUSN, are included in the virtual network so all stations are currently available now. By the end of 2015, the remaining TA stations will be upgraded. Data quality control procedures developed for TA stations at ANF and at the DMC are currently performed on N4 data. However, teleseismic and regional events are only picked a few times a month to fulfill data quality checks on the data. The assembled CEUSN data sets can be requested from the DMC with the _CEUSN virtual network code. Acknowledgments to Seismic Regional Network Operators: C. Ammon, J. Ebel, D. Doser, R. Hermann, A. Holland, W-Y. Kim, C. Langston, T. Owens, and M. Withers.

Easy access to geophysical data sets at the IRIS Data Management Center

NASA Astrophysics Data System (ADS)

Trabant, C.; Ahern, T.; Suleiman, Y.; Karstens, R.; Weertman, B.

2012-04-01

At the IRIS Data Management Center (DMC) we primarily manage seismological data but also have other geophysical data sets for related fields including atmospheric pressure and gravity measurements and higher level data products derived from raw data. With a few exceptions all data managed by the IRIS DMC are openly available and we serve an international research audience. These data are available via a number of different mechanisms from batch requests submitted through email, web interfaces, near real time streams and more recently web services. Our initial suite of web services offer access to almost all of the raw data and associated metadata managed at the DMC. In addition, we offer services that apply processing to the data before it is sent to the user. Web service technologies are ubiquitous with support available in nearly every programming language and operating system. By their nature web services are programmatic interfaces, but by choosing a simple subset of web service methods we make our data available to a very broad user base. These interfaces will be usable by professional developers as well as non-programmers. Whenever possible we chose open and recognized standards. The data returned to the user is in a variety of formats depending on type, including FDSN SEED, QuakeML, StationXML, ASCII, PNG images and in some cases where no appropriate standard could be found a customized XML format. To promote easy access to seismological data for all researchers we are coordinating with international partners to define web service interfaces standards. Additionally we are working with key partners in Europe to complete the initial implementation of these services. Once a standard has been adopted and implemented at multiple data centers researchers will be able to use the same request tools to access data across multiple data centers. The web services that apply on-demand processing to requested data include the capability to apply instrument corrections and format translations which ultimately allows more researchers to use the data without knowledge of specific data and metadata formats. In addition to serving as a new platform on top of which research scientists will build advanced processing tools we anticipate that they will result in more data being accessible by more users.

Measuring attention using induced motion.

PubMed

Gogel, W C; Sharkey, T J

1989-01-01

Attention was measured by means of its effect upon induced motion. Perceived horizontal motion was induced in a vertically moving test spot by the physical horizontal motion of inducing objects. All stimuli were in a frontoparallel plane. The induced motion vectored with the physical motion to produce a clockwise or counterclockwise tilt in the apparent path of motion of the test spot. Either a single inducing object or two inducing objects moving in opposite directions were used. Twelve observers were instructed to attend to or to ignore the single inducing object while fixating the test object and, when the two opposing inducing objects were present, to attend to one inducing object while ignoring the other. Tracking of the test spot was visually monitored. The tilt of the path of apparent motion of the test spot was measured by tactile adjustment of a comparison rod. It was found that the measured tilt was substantially larger when the single inducing object was attended rather than ignored. For the two inducing objects, attending to one while ignoring the other clearly increased the effectiveness of the attended inducing object. The results are analyzed in terms of the distinction between voluntary and involuntary attention. The advantages of measuring attention by its effect on induced motion as compared with the use of a precueing procedure, and a hypothesis regarding the role of attention in modifying perceived spatial characteristics are discussed.

The sopite syndrome revisited: Drowsiness and mood changes during real or apparent motion

NASA Astrophysics Data System (ADS)

Lawson, B. D.; Mead, A. M.

The sopite syndrome is a poorly understood response to motion. Drowsiness and mood changes are the primary characteristics of the syndrome. The sopite syndrome can exist in isolation from more apparent symptoms such as nausea, can last long; after nausea has subsided, and can debilitate some individuals. It is most likely a distinct syndrome from "regular" motion sickness or common fatigue, and is of potential concern in a variety of situations. The syndrome may be particularly hazardous in transportation settings where other performance challenges (e.g., sleep deprivation) are already present. It is also a potential concern in cases where illnesses such as sleep disorders or depression may interact with the syndrome and confuse diagnosis.

Structural changes of homodimers in the PDB.

PubMed

Koike, Ryotaro; Amemiya, Takayuki; Horii, Tatsuya; Ota, Motonori

2018-04-01

Protein complexes are involved in various biological phenomena. These complexes are intrinsically flexible, and structural changes are essential to their functions. To perform a large-scale automated analysis of the structural changes of complexes, we combined two original methods. An application, SCPC, compares two structures of protein complexes and decides the match of binding mode. Another application, Motion Tree, identifies rigid-body motions in various sizes and magnitude from the two structural complexes with the same binding mode. This approach was applied to all available homodimers in the Protein Data Bank (PDB). We defined two complex-specific motions: interface motion and subunit-spanning motion. In the former, each subunit of a complex constitutes a rigid body, and the relative movement between subunits occurs at the interface. In the latter, structural parts from distinct subunits constitute a rigid body, providing the relative movement spanning subunits. All structural changes were classified and examined. It was revealed that the complex-specific motions were common in the homodimers, detected in around 40% of families. The dimeric interfaces were likely to be small and flat for interface motion, while large and rugged for subunit-spanning motion. Interface motion was accompanied by a drastic change in contacts at the interface, while the change in the subunit-spanning motion was moderate. These results indicate that the interface properties of homodimers correlated with the type of complex-specific motion. The study demonstrates that the pipeline of SCPC and Motion Tree is useful for the massive analysis of structural change of protein complexes. Copyright © 2017 Elsevier Inc. All rights reserved.

On the distinction between large deformation and large distortion for anisotropic materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

BRANNON,REBECCA M.

2000-02-24

A motion involves large distortion if the ratios of principal stretches differ significantly from unity. A motion involves large deformation if the deformation gradient tensor is significantly different from the identity. Unfortunately, rigid rotation fits the definition of large deformation, and models that claim to be valid for large deformation are often inadequate for large distortion. An exact solution for the stress in an idealized fiber-reinforced composite is used to show that conventional large deformation representations for transverse isotropy give errant results. Possible alternative approaches are discussed.

Proceedings of the second US Department of Energy environmental control symposium. Volume 1. Fossil energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1980-06-01

These proceedings document the presentations given at the Second Environmental Control Symposium. Symposium presentations highlighted environmental control activities which span the entire DOE. Volume I contains papers relating to coal preparation, oil shales, coal combustion, advanced coal utilization (fluidized bed combustion, MHD generators, OCGT, fuel cells), coal gasification, coal liquefaction, and fossil resource extraction (enhanced recovery). Separate abstracts for individual papers are prepared for inclusion in the Energy Data Base. (DMC)

O-methylation of natural phenolic compounds based on green chemistry using dimethyl carbonate

NASA Astrophysics Data System (ADS)

Prakoso, N. I.; Pangestu, P. H.; Wahyuningsih, T. D.

2016-02-01

The alkyl aryl ether compounds, of which methyl eugenol and veratraldehyde are the simplest intermediates can be synthesized by reacting eugenol and vanillin with the green reagent dimethyl carbonate (DMC). The reaction was carried out under mild of temperature and pressure. Excellent yields and selective products were obtained (95-96%) after a few hours. In the end of the reaction, the catalysts (base and Phase Transfer Catalyst) can be recovered and regenerated.

First-principles modeling of quantum nuclear effects and atomic interactions in solid 4He at high pressure

NASA Astrophysics Data System (ADS)

Cazorla, Claudio; Boronat, Jordi

2015-01-01

We present a first-principles computational study of solid 4He at T =0 K and pressures up to ˜160 GPa. Our computational strategy consists in using van der Waals density functional theory (DFT-vdW) to describe the electronic degrees of freedom in this material, and the diffusion Monte Carlo (DMC) method to solve the Schrödinger equation describing the behavior of the quantum nuclei. For this, we construct an analytical interaction function based on the pairwise Aziz potential that closely matches the volume variation of the cohesive energy calculated with DFT-vdW in dense helium. Interestingly, we find that the kinetic energy of solid 4He does not increase appreciably with compression for P ≥85 GPa. Also, we show that the Lindemann ratio in dense solid 4He amounts to 0.10 almost independently of pressure. The reliability of customary quasiharmonic DFT (QH DFT) approaches in describing quantum nuclear effects in solids is also studied. We find that QH DFT simulations, although provide a reasonable equation of state in agreement with experiments, are not able to reproduce correctly these critical effects in compressed 4He. In particular, we disclose huge discrepancies of at least ˜50 % in the calculated 4He kinetic energies using both the QH DFT and present DFT-DMC methods.

Comprehensive Insights into the Reactivity of Electrolytes Based on Sodium Ions.

PubMed

Eshetu, Gebrekidan Gebresilassie; Grugeon, Sylvie; Kim, Huikyong; Jeong, Sangsik; Wu, Liming; Gachot, Gregory; Laruelle, Stephane; Armand, Michel; Passerini, Stefano

2016-03-08

We report a systematic investigation of Na-based electrolytes that comprise various NaX [X=hexafluorophosphate (PF6 ), perchlorate (ClO4 ), bis(trifluoromethanesulfonyl)imide (TFSI), fluorosulfonyl-(trifluoromethanesulfonyl)imide (FTFSI), and bis(fluorosulfonyl)imide (FSI)] salts and solvent mixtures [ethylene carbonate (EC)/dimethyl carbonate (DMC), EC/diethyl carbonate (DEC), and EC/propylene carbonate (PC)] with respect to the Al current collector stability, formation of soluble degradation compounds, reactivity towards sodiated hard carbon (Nax -HC), and solid-electrolyte interphase (SEI) layer formation. Cyclic voltammetry demonstrates that the stability of Al is highly influenced by the nature of the anions, solvents, and additives. GC-MS analysis reveals that the formation of SEI telltales depends on the nature of the linear alkyl carbonates and the battery chemistry (Li(+) vs. Na(+) ). FTIR spectroscopy shows that double alkyl carbonates are the main components of the SEI layer on Nax -HC. In the presence of Na salts, EC/DMC and EC/DEC presented a higher reactivity towards Nax -HC than EC/PC. For a fixed solvent mixture, the onset temperature follows the sequence NaClO4

The phase diagram of solid hydrogen at high pressure: A challenge for first principles calculations

NASA Astrophysics Data System (ADS)

Azadi, Sam; Foulkes, Matthew

2015-03-01

We present comprehensive results for the high-pressure phase diagram of solid hydrogen. We focus on the energetically most favorable molecular and atomic crystal structures. To obtain the ground-state static enthalpy and phase diagram, we use semi-local and hybrid density functional theory (DFT) as well as diffusion quantum Monte Carlo (DMC) methods. The closure of the band gap with increasing pressure is investigated utilizing quasi-particle many-body calculations within the GW approximation. The dynamical phase diagram is calculated by adding proton zero-point energies (ZPE) to static enthalpies. Density functional perturbation theory is employed to calculate the proton ZPE and the infra-red and Raman spectra. Our results clearly demonstrate the failure of DFT-based methods to provide an accurate static phase diagram, especially when comparing insulating and metallic phases. Our dynamical phase diagram obtained using fully many-body DMC calculations shows that the molecular-to-atomic phase transition happens at the experimentally accessible pressure of 374 GPa. We claim that going beyond mean-field schemes to obtain derivatives of the total energy and optimize crystal structures at the many-body level is crucial. This work was supported by the UK engineering and physics science research council under Grant EP/I030190/1, and made use of computing facilities provided by HECTOR, and by the Imperial College London high performance computing centre.

External validation of leukocytosis and neutrophilia as a prognostic marker in anal carcinoma treated with definitive chemoradiation.

PubMed

Schernberg, Antoine; Huguet, Florence; Moureau-Zabotto, Laurence; Chargari, Cyrus; Rivin Del Campo, Eleonor; Schlienger, Michel; Escande, Alexandre; Touboul, Emmanuel; Deutsch, Eric

2017-07-01

To validate the prognostic value of leukocyte disorders in anal squamous cell carcinoma (SCC) patients receiving definitive concurrent chemoradiation. Bi-institutional clinical records from consecutive patients treated between 2001 and 2015 with definitive chemoradiation for anal SCC were retrospectively reviewed. Prognostic value of pretreatment leukocyte disorders was examined, with focus on patterns of relapse and survival. Leukocytosis and neutrophilia were defined as leukocyte or neutrophil count exceeding 10G/L and 7G/L, respectively. We identified 133 patients, treated in two institutions. Eight% and 7% displayed baseline leukocytosis and neutrophilia, respectively. Estimated 3-year overall survival (OS) and progression-free survival (PFS) were 88% and 77%, respectively. In univariate analysis, both leukocytosis and neutrophilia were associated with worse OS, PFS (p<0.01), locoregional control (LRC) and Distant Metastasis Control (DMC) (p<0.05), also after stratification by each institution. In multivariate analysis, leukocytosis and neutrophilia remained as independent risk factors associated with poorer OS, PFS, LRC and DMC (p<0.05). This study validates leukocytosis and neutrophilia as independent prognostic factors in anal SCC patients treated with definitive chemoradiation. Although prospective confirmation is warranted, it is suggested that the leukocyte and neutrophil count parameters are clinically relevant biomarkers to be considered for further clinical investigations. Copyright © 2017 Elsevier B.V. All rights reserved.

CuY zeolite catalysts prepared by ultrasonication-assisted ion-exchange for oxidative carbonylation of methanol to dimethyl carbonate.

PubMed

Woo, Je-Min; Seo, Jung Yoon; Kim, Hyunuk; Lee, Dong-Ho; Park, Young Cheol; Yi, Chang-Keun; Park, Yeong Seong; Moon, Jong-Ho

2018-06-01

The influence of ultrasonication treatment on the catalytic performance of CuY zeolite catalysts was investigated for the liquid-phase oxidative carbonylation of methanol to dimethyl carbonate (DMC). The deammoniation method of NH 4 Y into HY zeolites was optimized and characterized by elemental analyzer, derivative thermogravimetry, Brunauer-Emmett-Teller (BET) analyzer, and powder X-ray diffractometry, revealing that the HY zeolite deammoniated at 400 °C presented the highest surface area, complete ammonium/proton ion exchange, and no structure collapse, rendering it the best support from all the prepared zeolites. CuY zeolites were prepared via aqueous phase ion exchange with the aid of ultrasonication. Upon ultrasonication, the Cu + active centers were uniformly dispersed in the Y zeolites, penetrating the core of the zeolite particles in a very short time. In addition to enhancing the Cu dispersity, the ultrasonication treatment influenced the BET surface area, acid amount, Cu + /Cu 2+ ratio, and also had a relatively small impact on the Cu loading. Consequently, adequate exposure to ultrasonication was able to increase the conversion rate of methanol into dimethyl carbonate up to 11.4% with a comparable DMC selectivity of 23.7%. This methanol conversion is 2.65 times higher than that obtained without the ultrasonication treatment. Copyright © 2018 Elsevier B.V. All rights reserved.

Quantitative evaluation of toothbrush and arm-joint motion during tooth brushing.

PubMed

Inada, Emi; Saitoh, Issei; Yu, Yong; Tomiyama, Daisuke; Murakami, Daisuke; Takemoto, Yoshihiko; Morizono, Ken; Iwasaki, Tomonori; Iwase, Yoko; Yamasaki, Youichi

2015-07-01

It is very difficult for dental professionals to objectively assess tooth brushing skill of patients, because an obvious index to assess the brushing motion of patients has not been established. The purpose of this study was to quantitatively evaluate toothbrush and arm-joint motion during tooth brushing. Tooth brushing motion, performed by dental hygienists for 15 s, was captured using a motion-capture system that continuously calculates the three-dimensional coordinates of object's motion relative to the floor. The dental hygienists performed the tooth brushing on the buccal and palatal sides of their right and left upper molars. The frequencies and power spectra of toothbrush motion and joint angles of the shoulder, elbow, and wrist were calculated and analyzed statistically. The frequency of toothbrush motion was higher on the left side (both buccal and palatal areas) than on the right side. There were no significant differences among joint angle frequencies within each brushing area. The inter- and intra-individual variations of the power spectrum of the elbow flexion angle when brushing were smaller than for any of the other angles. This study quantitatively confirmed that dental hygienists have individual distinctive rhythms during tooth brushing. All arm joints moved synchronously during brushing, and tooth brushing motion was controlled by coordinated movement of the joints. The elbow generated an individual's frequency through a stabilizing movement. The shoulder and wrist control the hand motion, and the elbow generates the cyclic rhythm during tooth brushing.

ANZA Seismic Network- From Monitoring to Science

NASA Astrophysics Data System (ADS)

Vernon, F.; Eakin, J.; Martynov, V.; Newman, R.; Offield, G.; Hindley, A.; Astiz, L.

2007-05-01

The ANZA Seismic Network (http:eqinfo.ucsd.edu) utilizes broadband and strong motion sensors with 24-bit dataloggers combined with real-time telemetry to monitor local and regional seismicity in southernmost California. The ANZA network provides real-time data to the IRIS DMC, California Integrated Seismic Network (CISN), other regional networks, and the Advanced National Seismic System (ANSS), in addition to providing near real-time information and monitoring to the greater San Diego community. Twelve high dynamic range broadband and strong motion sensors adjacent to the San Jacinto Fault zone contribute data for earthquake source studies and continue the monitoring of the seismic activity of the San Jacinto fault initiated 24 years ago. Five additional stations are located in the San Diego region with one more station on San Clemente Island. The ANZA network uses the advance wireless networking capabilities of the NSF High Performance Wireless Research and Education Network (http:hpwren.ucsd.edu) to provide the communication infrastructure for the real-time telemetry of Anza seismic stations. The ANZA network uses the Antelope data acquisition software. The combination of high quality hardware, communications, and software allow for an annual network uptime in excess of 99.5% with a median annual station real-time data return rate of 99.3%. Approximately 90,000 events, dominantly local sources but including regional and teleseismic events, comprise the ANZA network waveform database. All waveform data and event data are managed using the Datascope relational database. The ANZA network data has been used in a variety of scientific research including detailed structure of the San Jacinto Fault Zone, earthquake source physics, spatial and temporal studies of aftershocks, array studies of teleseismic body waves, and array studies on the source of microseisms. To augment the location, detection, and high frequency observations of the seismic source spectrum from local earthquakes, the ANZA network is receiving real-time data from borehole arrays located at the UCSD Thornton Hospital, and from UCSB's Borrego Valley and Garner Valley Downhole Arrays. Finally the ANZA network is acquiring data from seven PBO sites each with 300 meter deep MEMs accelerometers, passive seismometers, and a borehole strainmeter.

SU-G-TeP1-06: Fast GPU Framework for Four-Dimensional Monte Carlo in Adaptive Intensity Modulated Proton Therapy (IMPT) for Mobile Tumors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Botas, P; Heidelberg University, Heidelberg; Grassberger, C

Purpose: To demonstrate the feasibility of fast Monte Carlo (MC) treatment planning and verification using four-dimensional CT (4DCT) for adaptive IMPT for lung cancer patients. Methods: A validated GPU MC code, gPMC, has been linked to the patient database at our institution and employed to compute the dose-influence matrices (Dij) on the planning CT (pCT). The pCT is an average of the respiratory motion of the patient. The Dijs and patient structures were fed to the optimizer to calculate a treatment plan. To validate the plan against motion, a 4D dose distribution averaged over the possible starting phases is calculatedmore » using the 4DCT and a model of the time structure of the delivered spot map. The dose is accumulated using vector maps created by a GPU-accelerated deformable image registration program (DIR) from each phase of the 4DCT to the reference phase using the B-spline method. Calculation of the Dij matrices and the DIR are performed on a cluster, with each field and vector map calculated in parallel. Results: The Dij production takes ∼3.5s per beamlet for 10e6 protons, depending on the energy and the CT size. Generating a plan with 4D simulation of 1000 spots in 4 fields takes approximately 1h. To test the framework, IMPT plans for 10 lung cancer patients were generated for validation. Differences between the planned and the delivered dose of 19% in dose to some organs at risk and 1.4/21.1% in target mean dose/homogeneity with respect to the plan were observed, suggesting potential for improvement if adaptation is considered. Conclusion: A fast MC treatment planning framework has been developed that allows reliable plan design and verification for mobile targets and adaptation of treatment plans. This will significantly impact treatments for lung tumors, as 4D-MC dose calculations can now become part of planning strategies.« less

Search for Low-Mass Dark Matter wtih SuperCDMS Soudan and Study of Shorted Electric Field Configurations in CDMS Detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schneck, Kristiana

The area of dark matter is one of the most interesting and exciting topics in physics today. Existing at the intersection of particle physics and astrophysics, the existence of a new dark matter particle can be used to explain many astrophysical and cosmological observations, as well as to reconcile outstanding issues in the standard model of particle physics. Experiments such as SuperCDMS are built to detect dark matter in the lab by looking for low-energy nuclear recoils produced by collisions between dark matter particles and atoms in terrestrial detectors. SuperCDMS Soudan is particularly well-suited to follow up on possible hintsmore » of low-mass dark matter seen by other recent experiments because of its low thresholds and excellent background discrimination. Analyzing SuperCDMS Soudan data to look for low-mass dark matter comes with particular challenges because of the low signal-to-noise very near threshold. However, with a detailed background model developed by scaling high-energy events down into the low-energy signal region, SuperCDMS Soudan produced worldleading limits on the existence of low-mass dark matter. In addition, a few SuperCDMS Soudan detectors experienced cold hardware problems that can affect the data collected. Of particular interest is one detector considered for the low-mass WIMP search that has one of its charge electrodes shorted to chassis ground. Three events were observed in this detector upon unblinding the SuperCDMS Soudan low-energy data, even though <1 event was expected based on pre-unblinding calulations. However, the data collected by the shorted detector may have been compromised since an electrode shorted to ground will modify the electric field in the detector. The SuperCDMS Detector Monte Carlo (DMC) provides an excellent way to model the effects of the modified electric field, so a new model of the expected backgrounds in the low-mass WIMP search is developed using the DMC to try to explain how the short may have affected the data collected. This thesis is organized as follows: Chapter 1 gives a broad introduction to dark matter, discussing the astrophysical and cosmological evidence for its existence, listing several possible particle physics candidates, and outlining several experimental strategies to look for dark matter. Chapter 2 is an overview of CDMS detector technology and the experimental setup at the Soudan Underground Laboratory, with a focus on how data coming out of Soudan is analyzed. Chapter 3 presents results from a search for low-mass dark matter at SuperCDMS Soudan and discusses the interpretation of the results. Chapter 4 contains follow-up work that uses the CDMS Detector Monte Carlo (DMC) to understand the possible systematics associated with a detector that had one of its charge electrodes shorted to ground. This chapter represents the first time the DMC has been used to inform ongoing CDMS analysis. Chapter 5 takes a brief detour into the world of effective field theory (EFT), examining the consequences of an expanded set of possible WIMP-nucleon interactions in the EFT framework. Finally, Chapter 6 wraps up the material of the previous chapters and discusses how the research presented in this thesis can be applied as CDMS moves toward SuperCDMS SNOLAB.« less

Visual Benefits in Apparent Motion Displays: Automatically Driven Spatial and Temporal Anticipation Are Partially Dissociated

PubMed Central

Ahrens, Merle-Marie; Veniero, Domenica; Gross, Joachim; Harvey, Monika; Thut, Gregor

2015-01-01

Many behaviourally relevant sensory events such as motion stimuli and speech have an intrinsic spatio-temporal structure. This will engage intentional and most likely unintentional (automatic) prediction mechanisms enhancing the perception of upcoming stimuli in the event stream. Here we sought to probe the anticipatory processes that are automatically driven by rhythmic input streams in terms of their spatial and temporal components. To this end, we employed an apparent visual motion paradigm testing the effects of pre-target motion on lateralized visual target discrimination. The motion stimuli either moved towards or away from peripheral target positions (valid vs. invalid spatial motion cueing) at a rhythmic or arrhythmic pace (valid vs. invalid temporal motion cueing). Crucially, we emphasized automatic motion-induced anticipatory processes by rendering the motion stimuli non-predictive of upcoming target position (by design) and task-irrelevant (by instruction), and by creating instead endogenous (orthogonal) expectations using symbolic cueing. Our data revealed that the apparent motion cues automatically engaged both spatial and temporal anticipatory processes, but that these processes were dissociated. We further found evidence for lateralisation of anticipatory temporal but not spatial processes. This indicates that distinct mechanisms may drive automatic spatial and temporal extrapolation of upcoming events from rhythmic event streams. This contrasts with previous findings that instead suggest an interaction between spatial and temporal attention processes when endogenously driven. Our results further highlight the need for isolating intentional from unintentional processes for better understanding the various anticipatory mechanisms engaged in processing behaviourally relevant stimuli with predictable spatio-temporal structure such as motion and speech. PMID:26623650

Characterizing head motion in three planes during combined visual and base of support disturbances in healthy and visually sensitive subjects.

PubMed

Keshner, E A; Dhaher, Y

2008-07-01

Multiplanar environmental motion could generate head instability, particularly if the visual surround moves in planes orthogonal to a physical disturbance. We combined sagittal plane surface translations with visual field disturbances in 12 healthy (29-31 years) and 3 visually sensitive (27-57 years) adults. Center of pressure (COP), peak head angles, and RMS values of head motion were calculated and a three-dimensional model of joint motion was developed to examine gross head motion in three planes. We found that subjects standing quietly in front of a visual scene translating in the sagittal plane produced significantly greater (p<0.003) head motion in yaw than when on a translating platform. However, when the platform was translated in the dark or with a visual scene rotating in roll, head motion orthogonal to the plane of platform motion significantly increased (p<0.02). Visually sensitive subjects having no history of vestibular disorder produced large, delayed compensatory head motion. Orthogonal head motions were significantly greater in visually sensitive than in healthy subjects in the dark (p<0.05) and with a stationary scene (p<0.01). We concluded that motion of the visual field could modify compensatory response kinematics of a freely moving head in planes orthogonal to the direction of a physical perturbation. These results suggest that the mechanisms controlling head orientation in space are distinct from those that control trunk orientation in space. These behaviors would have been missed if only COP data were considered. Data suggest that rehabilitation training can be enhanced by combining visual and mechanical perturbation paradigms.

Droplet sliding on inclined superhydrophobic surfaces: the effect of anisotropic contact line

NASA Astrophysics Data System (ADS)

Jiang, Youhua; Cao, Lile; Guo, Zongqi; Choi, Chang-Hwan

2017-11-01

Although the effects of solid structures on droplet retention on superhydrophobic surfaces have been studied extensively, the investigation has been restricted to the sessile droplets on horizontal surfaces where the contact line motions are axisymmetric or isotropic (either advancing or receding). In the droplet retention on inclined surfaces, the contact line motions are asymmetric or anisotropic; the advancing and receding motions coexist. In this study, we investigate the correlation between the droplet boundary pinning and the surface morphology on inclined superhydrophobic surfaces. The evolution of the droplet contact angle and width show contrary behaviors between pillar- and pore-structured surfaces due to the distinctive microscopic contact line motions. Therefore, the visualizations of the contact line motions at different locations of the boundary on inclined superhydrophobic surfaces are performed and the averaged contact line density of the boundary is quantified. The result shows that the droplet retentive force monotonously increase with the increase in contact line density, regardless of the surface morphological types, dimensions, or the direction of contact line motion (advancing, receding, or both). The result indicates that the droplet retentive force on superhydrophobic surfaces is mainly determined by the contact line density, regardless of the isotropy of the contact line.

The principal motions involved in the coupling mechanism of the recovery stroke of the myosin motor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mesentean, Sidonia; Koppole, Sampath; Smith, Jeremy C

2006-12-01

Muscle contraction is driven by a cycle of conformational changes in the myosin II head. After myosin binds ATP and releases from the actin fibril, myosin prepares for the next power stroke by rotating back the converter domain that carries the lever arm by {approx}60 degrees. This recovery stroke is coupled to the activation of myosin's ATPase by a mechanism that is essential for an efficient motor cycle. The mechanics of this coupling have been proposed to occur via two distinct and successive motions of the two helices that hold the converter domain: in a first phase a see-saw motionmore » of the relay helix, followed by a piston/seesaw motion of the SH1 helix in a second phase. To test this model, we have determined the principal motions of these structural elements during equilibrium molecular dynamics simulations of the crystallographic end states of the recovery stroke by using Principal Component Analysis. This reveals that the only principal motions of these two helices that make a large amplitude contribution towards the conformational change of the recovery stroke are indeed the predicted seesaw and piston motions.« less

Automatic segmentation of low-visibility moving objects through energy analyis of the local 3D spectrum

NASA Astrophysics Data System (ADS)

Nestares, Oscar; Miravet, Carlos; Santamaria, Javier; Fonolla Navarro, Rafael

1999-05-01

Automatic object segmentation in highly noisy image sequences, composed by a translating object over a background having a different motion, is achieved through joint motion-texture analysis. Local motion and/or texture is characterized by the energy of the local spatio-temporal spectrum, as different textures undergoing different translational motions display distinctive features in their 3D (x,y,t) spectra. Measurements of local spectrum energy are obtained using a bank of directional 3rd order Gaussian derivative filters in a multiresolution pyramid in space- time (10 directions, 3 resolution levels). These 30 energy measurements form a feature vector describing texture-motion for every pixel in the sequence. To improve discrimination capability and reduce computational cost, we automatically select those 4 features (channels) that best discriminate object from background, under the assumptions that the object is smaller than the background and has a different velocity or texture. In this way we reject features irrelevant or dominated by noise, that could yield wrong segmentation results. This method has been successfully applied to sequences with extremely low visibility and for objects that are even invisible for the eye in absence of motion.

The spread of attention across features of a surface

PubMed Central

Ernst, Zachary Raymond; Jazayeri, Mehrdad

2013-01-01

Contrasting theories of visual attention have emphasized selection by spatial location, individual features, and whole objects. We used functional magnetic resonance imaging to ask whether and how attention to one feature of an object spreads to other features of the same object. Subjects viewed two spatially superimposed surfaces of random dots that were segregated by distinct color-motion conjunctions. The color and direction of motion of each surface changed smoothly and in a cyclical fashion. Subjects were required to track one feature (e.g., color) of one of the two surfaces and detect brief moments when the attended feature diverged from its smooth trajectory. To tease apart the effect of attention to individual features on the hemodynamic response, we used a frequency-tagging scheme. In this scheme, the stimulus features (color and direction of motion) are modulated periodically at distinct frequencies so that the contribution of each feature to the hemodynamics can be inferred from the harmonic response at the corresponding frequency. We found that attention to one feature (e.g., color) of one surface increased the response modulation not only to the attended feature but also to the other feature (e.g., motion) of the same surface. This attentional modulation was evident in multiple visual areas and was present as early as V1. The spread of attention to the behaviorally irrelevant features of a surface suggests that attention may automatically select all features of a single object. Thus object-based attention may be supported by an enhancement of feature-specific sensory signals in the visual cortex. PMID:23883860

Global and local molecular dynamics of a bacterial carboxylesterase provide insight into its catalytic mechanism

PubMed Central

Yu, Xiaozhen; Sigler, Sara C.; Hossain, Delwar; Wierdl, Monika; Gwaltney, Steven R.; Potter, Philip M.; Wadkins, Randy M.

2013-01-01

Carboxylesterases (CEs) are ubiquitous enzymes responsible for the detoxification of xenobiotics. In humans, substrates for these enzymes are far-ranging, and include the street drug heroin and the anticancer agent irinotecan. Hence, their ability to bind and metabolize substrates is of broad interest to biomedical science. In this study, we focused our attention on dynamic motions of a CE from B. subtilis (pnbCE), with emphasis on the question of what individual domains of the enzyme might contribute to its catalytic activity. We used a 10 ns all-atom molecular dynamics simulation, normal mode calculations, and enzyme kinetics to understand catalytic consequences of structural changes within this enzyme. Our results shed light on how molecular motions are coupled with catalysis. During molecular dynamics, we observed a distinct C-C bond rotation between two conformations of Glu310. Such a bond rotation would alternately facilitate and impede protonation of the active site His399 and act as a mechanism by which the enzyme alternates between its active and inactive conformation. Our normal mode results demonstrate that the distinct low-frequency motions of two loops in pnbCE, coil_5 and coil_21, are important in substrate conversion and seal the active site. Mutant CEs lacking these external loops show significantly reduced rates of substrate conversion, suggesting this sealing motion prevents escape of substrate. Overall, the results of our studies give new insight into the structure-function relationship of CEs and have implications for the entire family of α/β fold family of hydrolases, of which this CE is a member. PMID:22127613

Six-Degree-of-Freedom Trajectory Optimization Utilizing a Two-Timescale Collocation Architecture

NASA Technical Reports Server (NTRS)

Desai, Prasun N.; Conway, Bruce A.

2005-01-01

Six-degree-of-freedom (6DOF) trajectory optimization of a reentry vehicle is solved using a two-timescale collocation methodology. This class of 6DOF trajectory problems are characterized by two distinct timescales in their governing equations, where a subset of the states have high-frequency dynamics (the rotational equations of motion) while the remaining states (the translational equations of motion) vary comparatively slowly. With conventional collocation methods, the 6DOF problem size becomes extraordinarily large and difficult to solve. Utilizing the two-timescale collocation architecture, the problem size is reduced significantly. The converged solution shows a realistic landing profile and captures the appropriate high-frequency rotational dynamics. A large reduction in the overall problem size (by 55%) is attained with the two-timescale architecture as compared to the conventional single-timescale collocation method. Consequently, optimum 6DOF trajectory problems can now be solved efficiently using collocation, which was not previously possible for a system with two distinct timescales in the governing states.

Retinal ganglion cells with distinct directional preferences differ in molecular identity, structure, and central projections.

PubMed

Kay, Jeremy N; De la Huerta, Irina; Kim, In-Jung; Zhang, Yifeng; Yamagata, Masahito; Chu, Monica W; Meister, Markus; Sanes, Joshua R

2011-05-25

The retina contains ganglion cells (RGCs) that respond selectively to objects moving in particular directions. Individual members of a group of ON-OFF direction-selective RGCs (ooDSGCs) detect stimuli moving in one of four directions: ventral, dorsal, nasal, or temporal. Despite this physiological diversity, little is known about subtype-specific differences in structure, molecular identity, and projections. To seek such differences, we characterized mouse transgenic lines that selectively mark ooDSGCs preferring ventral or nasal motion as well as a line that marks both ventral- and dorsal-preferring subsets. We then used the lines to identify cell surface molecules, including Cadherin 6, CollagenXXVα1, and Matrix metalloprotease 17, that are selectively expressed by distinct subsets of ooDSGCs. We also identify a neuropeptide, CART (cocaine- and amphetamine-regulated transcript), that distinguishes all ooDSGCs from other RGCs. Together, this panel of endogenous and transgenic markers distinguishes the four ooDSGC subsets. Patterns of molecular diversification occur before eye opening and are therefore experience independent. They may help to explain how the four subsets obtain distinct inputs. We also demonstrate differences among subsets in their dendritic patterns within the retina and their axonal projections to the brain. Differences in projections indicate that information about motion in different directions is sent to different destinations.

Dynamics of a camphoric acid boat at the air-water interface

NASA Astrophysics Data System (ADS)

Akella, V. S.; Singh, Dhiraj K.; Mandre, Shreyas; Bandi, M. M.

2018-05-01

We report experiments on an agarose gel tablet loaded with camphoric acid (c-boat) spontaneously set into motion by surface tension gradients on the water surface. We observe three distinct modes of c-boat motion: harmonic mode where the c-boat speed oscillates sinusoidally in time, a steady mode where the c-boat maintains constant speed, and an intermittent mode where the c-boat maintains near-zero speed between sudden jumps in speed. Whereas all three modes have been separately reported before in different systems, controlled release of Camphoric Acid (CA) from the agarose gel matrix allowed the observation of all the three modes in the same system. These three modes are a result of a competition between the driving (surface tension gradients) and drag forces acting on the c-boat. Moreover we suggest that there exist two time scales corresponding to spreading of CA and boat motion and the mismatch of these two time scales give rise to the three modes in boat motion. We reproduced all the modes of motion by varying the air-water interfacial tension using Sodium Dodecyl Sulfate (SDS).

Encodings of implied motion for animate and inanimate object categories in the two visual pathways.

PubMed

Lu, Zhengang; Li, Xueting; Meng, Ming

2016-01-15

Previous research has proposed two separate pathways for visual processing: the dorsal pathway for "where" information vs. the ventral pathway for "what" information. Interestingly, the middle temporal cortex (MT) in the dorsal pathway is involved in representing implied motion from still pictures, suggesting an interaction between motion and object related processing. However, the relationship between how the brain encodes implied motion and how the brain encodes object/scene categories is unclear. To address this question, fMRI was used to measure activity along the two pathways corresponding to different animate and inanimate categories of still pictures with different levels of implied motion speed. In the visual areas of both pathways, activity induced by pictures of humans and animals was hardly modulated by the implied motion speed. By contrast, activity in these areas correlated with the implied motion speed for pictures of inanimate objects and scenes. The interaction between implied motion speed and stimuli category was significant, suggesting different encoding mechanisms of implied motion for animate-inanimate distinction. Further multivariate pattern analysis of activity in the dorsal pathway revealed significant effects of stimulus category that are comparable to the ventral pathway. Moreover, still pictures of inanimate objects/scenes with higher implied motion speed evoked activation patterns that were difficult to differentiate from those evoked by pictures of humans and animals, indicating a functional role of implied motion in the representation of object categories. These results provide novel evidence to support integrated encoding of motion and object categories, suggesting a rethink of the relationship between the two visual pathways. Copyright © 2015 Elsevier Inc. All rights reserved.

U.S. Army’s Ground Vehicle Energy Storage R&D Programs & Goals

DTIC Science & Technology

2011-09-13

Results Li-ion Pack Testing ( NCA ) 13 CO CO2 Analyte Peak Concentration (ppm) 15 min Average Concentration (ppm) Carbon Monoxide (CO) 108939 81588...Carbonate (DMC) 21734 14307 Methyl Butyrate (MB) 47198 33368 • NCA Cell Chemistry • 173V, 6.4kWhr Pack • Prototype pack design (to determine worst case...including advanced prognostic and diagnostic capability) • O092-EP7 – Enhancing the Utilization Efficiency of Cathode Materials in the Li ion

Shear Punch Testing on ATR Irradiated MA956 FeCrAl Alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saleh, Tarik A.; Quintana, Matthew Estevan; Romero, Tobias J.

2017-06-13

The shear punch testing of irradiated and control MA956 (FeCrAl) Alloy from the NSUF-ATR-UCSB irradiation is presented. This is the first data taken on a new shear punch fixture design to test three 1.5mm punches from each 8mm x 0.5mm Disc Multipurpose Coupon (DMC). Samples were irradiated to 6.1dpa at a temperature of 315°C and 6.2 dpa at 400°C.

Numerical integration and optimization of motions for multibody dynamic systems

NASA Astrophysics Data System (ADS)

Aguilar Mayans, Joan

This thesis considers the optimization and simulation of motions involving rigid body systems. It does so in three distinct parts, with the following topics: optimization and analysis of human high-diving motions, efficient numerical integration of rigid body dynamics with contacts, and motion optimization of a two-link robot arm using Finite-Time Lyapunov Analysis. The first part introduces the concept of eigenpostures, which we use to simulate and analyze human high-diving motions. Eigenpostures are used in two different ways: first, to reduce the complexity of the optimal control problem that we solve to obtain such motions, and second, to generate an eigenposture space to which we map existing real world motions to better analyze them. The benefits of using eigenpostures are showcased through different examples. The second part reviews an extensive list of integration algorithms used for the integration of rigid body dynamics. We analyze the accuracy and stability of the different integrators in the three-dimensional space and the rotation space SO(3). Integrators with an accuracy higher than first order perform more efficiently than integrators with first order accuracy, even in the presence of contacts. The third part uses Finite-time Lyapunov Analysis to optimize motions for a two-link robot arm. Finite-Time Lyapunov Analysis diagnoses the presence of time-scale separation in the dynamics of the optimized motion and provides the information and methodology for obtaining an accurate approximation to the optimal solution, avoiding the complications that timescale separation causes for alternative solution methods.

Assessment method of digital Chinese dance movements based on virtual reality technology

NASA Astrophysics Data System (ADS)

Feng, Wei; Shao, Shuyuan; Wang, Shumin

2008-03-01

Virtual reality has played an increasing role in such areas as medicine, architecture, aviation, engineering science and advertising. However, in the art fields, virtual reality is still in its infancy in the representation of human movements. Based on the techniques of motion capture and reuse of motion capture data in virtual reality environment, this paper presents an assessment method in order to evaluate the quantification of dancers' basic Arm Position movements in Chinese traditional dance. In this paper, the data for quantifying traits of dance motions are defined and measured on dancing which performed by an expert and two beginners, with results indicating that they are beneficial for evaluating dance skills and distinctiveness, and the assessment method of digital Chinese dance movements based on virtual reality technology is validity and feasibility.

Proper motion separation of Be stars in the Milky Way and the Magellanic Clouds

NASA Astrophysics Data System (ADS)

Vieira, K.; García, A.; Sabogal, B.

2018-01-01

We present a proper motion investigation of a sample of Be stars candidates towards the Large Magellanic Cloud (LMC), which has resulted in the identification of two separate populations, in the Galactic foreground and in the Magellanic background. OGLE BVI and 2MASS JHK photometry were used with the SPM4 proper motions to discriminate the different populations located towards the LMC. Two populations with distinctive infrared colours and noticeable different kinematics were found, the bluer sample is consistent with being in the LMC and the redder one with belonging to the Milky Way (MW) disk. This settles the nature of the redder sample which had been described in previous publications as a possible unknown subclass of stars among the Be candidates in the LMC.

Calculation of precision satellite orbits with nonsingular elements /VOP formulation/

NASA Technical Reports Server (NTRS)

Velez, C. E.; Cefola, P. J.; Long, A. C.; Nimitz, K. S.

1974-01-01

Review of some results obtained in an effort to develop efficient, high-precision trajectory computation processes for artificial satellites by optimum selection of the form of the equations of motion of the satellite and the numerical integration method. In particular, the matching of a Gaussian variation-of-parameter (VOP) formulation is considered which is expressed in terms of equinoctial orbital elements and partially decouples the motion of the orbital frame from motion within the orbital frame. The performance of the resulting orbit generators is then compared with the popular classical Cowell/Gauss-Jackson formulation/integrator pair for two distinctly different orbit types - namely, the orbit of the ATS satellite at near-geosynchronous conditions and the near-circular orbit of the GEOS-C satellite at 1000 km.

Trampoline effect in extreme ground motion.

PubMed

Aoi, Shin; Kunugi, Takashi; Fujiwara, Hiroyuki

2008-10-31

In earthquake hazard assessment studies, the focus is usually on horizontal ground motion. However, records from the 14 June 2008 Iwate-Miyagi earthquake in Japan, a crustal event with a moment magnitude of 6.9, revealed an unprecedented vertical surface acceleration of nearly four times gravity, more than twice its horizontal counterpart. The vertical acceleration was distinctly asymmetric; the waveform envelope was about 1.6 times as large in the upward direction as in the downward direction, which is not explained by existing models of the soil response. We present a simple model of a mass bouncing on a trampoline to account for this asymmetry and the large vertical amplitude. The finding of a hitherto-unknown mode of strong ground motion may prompt major progress in near-source shaking assessments.

ExoMol molecular line lists - XXIII. Spectra of PO and PS

NASA Astrophysics Data System (ADS)

Prajapat, Laxmi; Jagoda, Pawel; Lodi, Lorenzo; Gorman, Maire N.; Yurchenko, Sergei N.; Tennyson, Jonathan

2017-12-01

Comprehensive line lists for phosphorus monoxide (31P16O) and phosphorus monosulphide (31P32S) in their X 2Π electronic ground state are presented. The line lists are based on new ab initio potential energy (PEC), spin-orbit (SOC) and dipole moment (DMC) curves computed using the MRCI+Q-r method with aug-cc-pwCV5Z and aug-cc-pV5Z basis sets. The nuclear motion equations (i.e. the rovibronic Schrödinger equations for each molecule) are solved using the program DUO. The PECs and SOCs are refined in least-squares fits to available experimental data. Partition functions, Q(T), are computed up to T = 5000 K, the range of validity of the line lists. These line lists are the most comprehensive available for either molecule. The characteristically sharp peak of the Q-branches from the spin-orbit split components gives useful diagnostics for both PO and PS in spectra at infrared wavelengths. These line lists should prove useful for analysing observations and setting up models of environments such as brown dwarfs, low-mass stars, O-rich circumstellar regions and potentially for exoplanetary retrievals. Since PS is yet to be detected in space, the role of the two lowest excited electronic states (a 4Π and B 2Π) are also considered. An approximate line list for the PS X-B electronic transition, which predicts a number of sharp vibrational bands in the near ultraviolet, is also presented. The line lists are available from the CDS (http://cdsarc.u-strasbg.fr) and ExoMol (www.exomol.com) data bases.

QuakeML: XML for Seismological Data Exchange and Resource Metadata Description

NASA Astrophysics Data System (ADS)

Euchner, F.; Schorlemmer, D.; Becker, J.; Heinloo, A.; Kästli, P.; Saul, J.; Weber, B.; QuakeML Working Group

2007-12-01

QuakeML is an XML-based data exchange format for seismology that is under development. Current collaborators are from ETH, GFZ, USC, USGS, IRIS DMC, EMSC, ORFEUS, and ISTI. QuakeML development was motivated by the lack of a widely accepted and well-documented data format that is applicable to a broad range of fields in seismology. The development team brings together expertise from communities dealing with analysis and creation of earthquake catalogs, distribution of seismic bulletins, and real-time processing of seismic data. Efforts to merge QuakeML with existing XML dialects are under way. The first release of QuakeML will cover a basic description of seismic events including picks, arrivals, amplitudes, magnitudes, origins, focal mechanisms, and moment tensors. Further extensions are in progress or planned, e.g., for macroseismic information, location probability density functions, slip distributions, and ground motion information. The QuakeML language definition is supplemented by a concept to provide resource metadata and facilitate metadata exchange between distributed data providers. For that purpose, we introduce unique, location-independent identifiers of seismological resources. As an application of QuakeML, ETH Zurich currently develops a Python-based seismicity analysis toolkit as a contribution to CSEP (Collaboratory for the Study of Earthquake Predictability). We follow a collaborative and transparent development approach along the lines of the procedures of the World Wide Web Consortium (W3C). QuakeML currently is in working draft status. The standard description will be subjected to a public Request for Comments (RFC) process and eventually reach the status of a recommendation. QuakeML can be found at http://www.quakeml.org.

Head motion during MRI acquisition reduces gray matter volume and thickness estimates.

PubMed

Reuter, Martin; Tisdall, M Dylan; Qureshi, Abid; Buckner, Randy L; van der Kouwe, André J W; Fischl, Bruce

2015-02-15

Imaging biomarkers derived from magnetic resonance imaging (MRI) data are used to quantify normal development, disease, and the effects of disease-modifying therapies. However, motion during image acquisition introduces image artifacts that, in turn, affect derived markers. A systematic effect can be problematic since factors of interest like age, disease, and treatment are often correlated with both a structural change and the amount of head motion in the scanner, confounding the ability to distinguish biology from artifact. Here we evaluate the effect of head motion during image acquisition on morphometric estimates of structures in the human brain using several popular image analysis software packages (FreeSurfer 5.3, VBM8 SPM, and FSL Siena 5.0.7). Within-session repeated T1-weighted MRIs were collected on 12 healthy volunteers while performing different motion tasks, including two still scans. We show that volume and thickness estimates of the cortical gray matter are biased by head motion with an average apparent volume loss of roughly 0.7%/mm/min of subject motion. Effects vary across regions and remain significant after excluding scans that fail a rigorous quality check. In view of these results, the interpretation of reported morphometric effects of movement disorders or other conditions with increased motion tendency may need to be revisited: effects may be overestimated when not controlling for head motion. Furthermore, drug studies with hypnotic, sedative, tranquilizing, or neuromuscular-blocking substances may contain spurious "effects" of reduced atrophy or brain growth simply because they affect motion distinct from true effects of the disease or therapeutic process. Copyright © 2014 Elsevier Inc. All rights reserved.

Message in the "Body": Effects of Simulation in Sentence Production

ERIC Educational Resources Information Center

Sato, Manami

2010-01-01

This study investigates the role of mental simulation in message formulation and grammatical encoding in two typologically distinct languages, English and Japanese. It examines relationships among physical motion, mental simulation, and sentence production, following the claims of Perceptual Symbol Systems (Barsalou, 1999) that people understand…

Segmenting Dynamic Human Action via Statistical Structure

ERIC Educational Resources Information Center

Baldwin, Dare; Andersson, Annika; Saffran, Jenny; Meyer, Meredith

2008-01-01

Human social, cognitive, and linguistic functioning depends on skills for rapidly processing action. Identifying distinct acts within the dynamic motion flow is one basic component of action processing; for example, skill at segmenting action is foundational to action categorization, verb learning, and comprehension of novel action sequences. Yet…

Markerless motion estimation for motion-compensated clinical brain imaging

NASA Astrophysics Data System (ADS)

Kyme, Andre Z.; Se, Stephen; Meikle, Steven R.; Fulton, Roger R.

2018-05-01

Motion-compensated brain imaging can dramatically reduce the artifacts and quantitative degradation associated with voluntary and involuntary subject head motion during positron emission tomography (PET), single photon emission computed tomography (SPECT) and computed tomography (CT). However, motion-compensated imaging protocols are not in widespread clinical use for these modalities. A key reason for this seems to be the lack of a practical motion tracking technology that allows for smooth and reliable integration of motion-compensated imaging protocols in the clinical setting. We seek to address this problem by investigating the feasibility of a highly versatile optical motion tracking method for PET, SPECT and CT geometries. The method requires no attached markers, relying exclusively on the detection and matching of distinctive facial features. We studied the accuracy of this method in 16 volunteers in a mock imaging scenario by comparing the estimated motion with an accurate marker-based method used in applications such as image guided surgery. A range of techniques to optimize performance of the method were also studied. Our results show that the markerless motion tracking method is highly accurate (<2 mm discrepancy against a benchmarking system) on an ethnically diverse range of subjects and, moreover, exhibits lower jitter and estimation of motion over a greater range than some marker-based methods. Our optimization tests indicate that the basic pose estimation algorithm is very robust but generally benefits from rudimentary background masking. Further marginal gains in accuracy can be achieved by accounting for non-rigid motion of features. Efficiency gains can be achieved by capping the number of features used for pose estimation provided that these features adequately sample the range of head motion encountered in the study. These proof-of-principle data suggest that markerless motion tracking is amenable to motion-compensated brain imaging and holds good promise for a practical implementation in clinical PET, SPECT and CT systems.

A systems concept of the vestibular organs

NASA Technical Reports Server (NTRS)

Mayne, R.

1974-01-01

A comprehensive model of vestibular organ function is presented. The model is based on an analogy with the inertial guidance systems used in navigation. Three distinct operations are investigated: angular motion sensing, linear motion sensing, and computation. These operations correspond to the semicircular canals, the otoliths, and central processing respectively. It is especially important for both an inertial guidance system and the vestibular organs to distinguish between attitude with respect to the vertical on the one hand, and linear velocity and displacement on the other. The model is applied to various experimental situations and found to be corroborated by them.

Colliding Stellar Wind Models with Orbital Motion

NASA Astrophysics Data System (ADS)

Wilkin, Francis P.; O'Connor, Brendan

2018-01-01

We present thin-shell models for the collision between two ballistic stellar winds, including orbital motion.The stellar orbits are assumed circular, so that steady-state solutions exist in the rotating frame, where we include centrifugal and Coriolis forces. Exact solutions for the pre-shock winds are incorporated. Here we discuss 2-D model results for equal wind momentum-loss rates, although we allow for the winds to have distinct speeds and mass loss rates. For these unequal wind conditions, we obtain a clear violation of skew-symmetry, despite equal momentum loss rates, due to the Coriolis force.

Characterizing Head Motion in 3 Planes during Combined Visual and Base of Support Disturbances in Healthy and Visually Sensitive Subjects

PubMed Central

Keshner, E.A.; Dhaher, Y.

2008-01-01

Multiplanar environmental motion could generate head instability, particularly if the visual surround moves in planes orthogonal to a physical disturbance. We combined sagittal plane surface translations with visual field disturbances in 12 healthy (29–31 years) and 3 visually sensitive (27–57 years) adults. Center of pressure (COP), peak head angles, and RMS values of head motion were calculated and a 3-dimensional model of joint motion11 was developed to examine gross head motion in 3 planes. We found that subjects standing quietly in front of a visual scene translating in the sagittal plane produced significantly greater (p<0.003) head motion in yaw than when on a translating platform. However, when the platform was translated in the dark or with a visual scene rotating in roll, head motion orthogonal to the plane of platform motion significantly increased (p<0.02). Visually sensitive subjects having no history of vestibular disorder produced large, delayed compensatory head motion. Orthogonal head motions were significantly greater in visually sensitive than in healthy subjects in the dark (p<0.05) and with a stationary scene (p<0.01). We concluded that motion of the visual field can modify compensatory response kinematics of a freely moving head in planes orthogonal to the direction of a physical perturbation. These results suggest that the mechanisms controlling head orientation in space are distinct from those that control trunk orientation in space. These behaviors would have been missed if only COP data were considered. Data suggest that rehabilitation training can be enhanced by combining visual and mechanical perturbation paradigms. PMID:18162402

Generalized Arcsine Laws for Fractional Brownian Motion.

PubMed

Sadhu, Tridib; Delorme, Mathieu; Wiese, Kay Jörg

2018-01-26

The three arcsine laws for Brownian motion are a cornerstone of extreme-value statistics. For a Brownian B_{t} starting from the origin, and evolving during time T, one considers the following three observables: (i) the duration t_{+} the process is positive, (ii) the time t_{last} the process last visits the origin, and (iii) the time t_{max} when it achieves its maximum (or minimum). All three observables have the same cumulative probability distribution expressed as an arcsine function, thus the name arcsine laws. We show how these laws change for fractional Brownian motion X_{t}, a non-Markovian Gaussian process indexed by the Hurst exponent H. It generalizes standard Brownian motion (i.e., H=1/2). We obtain the three probabilities using a perturbative expansion in ϵ=H-1/2. While all three probabilities are different, this distinction can only be made at second order in ϵ. Our results are confirmed to high precision by extensive numerical simulations.

Effects of Mutations on Structure-Function Relationships of Matrix Metalloproteinase-1.

PubMed

Singh, Warispreet; Fields, Gregg B; Christov, Christo Z; Karabencheva-Christova, Tatyana G

2016-10-14

Matrix metalloproteinase-1 (MMP-1) is one of the most widely studied enzymes involved in collagen degradation. Mutations of specific residues in the MMP-1 hemopexin-like (HPX) domain have been shown to modulate activity of the MMP-1 catalytic (CAT) domain. In order to reveal the structural and conformational effects of such mutations, a molecular dynamics (MD) study was performed of in silico mutated residues in the X-ray crystallographic structure of MMP-1 complexed with a collagen-model triple-helical peptide (THP). The results indicate an important role of the mutated residues in MMP-1 interactions with the THP and communication between the CAT and the HPX domains. Each mutation has a distinct impact on the correlated motions in the MMP-1•THP. An increased collagenase activity corresponded to the appearance of a unique anti-correlated motion and decreased correlated motions, while decreased collagenase activity corresponded both to increased and decreased anti-correlated motions.

Freestanding Triboelectric Nanogenerator Enables Noncontact Motion-Tracking and Positioning.

PubMed

Guo, Huijuan; Jia, Xueting; Liu, Lue; Cao, Xia; Wang, Ning; Wang, Zhong Lin

2018-04-24

Recent development of interactive motion-tracking and positioning technologies is attracting increasing interests in many areas, such as wearable electronics, intelligent electronics, and the internet of things. For example, the so-called somatosensory technology can afford users strong empathy of immersion and realism due to their consistent interaction with the game. Here, we report a noncontact self-powered positioning and motion-tracking system based on a freestanding triboelectric nanogenerator (TENG). The TENG was fabricated by a nanoengineered surface in the contact-separation mode with the use of a free moving human body (hands or feet) as the trigger. The poly(tetrafluoroethylene) (PTFE) arrays based interactive interface can give an output of 222 V from casual human motions. Different from previous works, this device also responses to a small action at certain heights of 0.01-0.11 m from the device with a sensitivity of about 315 V·m -1 , so that the mechanical sensing is possible. Such a distinctive noncontact sensing feature promotes a wide range of potential applications in smart interaction systems.

Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores

DOE PAGES

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian; ...

2017-06-12

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

Reduction of thoracic aorta motion artifact with high-pitch 128-slice dual-source computed tomographic angiography: a historical control study.

PubMed

Nakagawa, Junichiro; Tasaki, Osamu; Watanabe, Yoshiyuki; Azuma, Takeo; Ohnishi, Mitsuo; Ukai, Isao; Tahara, Kenichi; Ogura, Hiroshi; Kuwagata, Yasuyuki; Hamasaki, Toshimitsu; Shimazu, Takeshi

2013-01-01

Electrocardiogram-gated imaging combined with multi-detector row computed tomography (MDCT) has reduced cardiac motion artifacts, but it was not practical in the emergency setting. The purpose of this study was to evaluate the ability of a high-pitch, 128-slice dual-source CT (DSCT) scanner to reduce motion artifacts in patients admitted to the emergency room. This study comprised 100 patients suspected of having thoracic aorta lesions. We examined 47 patients with the 128-slice DSCT scanner (DSCT group), and 53 patients were examined with a 64-slice MDCT scanner (MDCT group). Six anatomic areas in the thoracic aorta were evaluated. Computed tomography images in the DSCT group were distinct, and significant differences were observed in images of all areas between the 2 groups except for the descending aorta. The high-pitch DSCT scanner can reduce motion artifacts of the thoracic aorta and enable radiological diagnosis even in patients with tachycardia and without breath hold.

Computational engineering of cellulase Cel9A-68 functional motions through mutations in its linker region.

PubMed

Costa, M G S; Silva, Y F; Batista, P R

2018-03-14

Microbial cellulosic degradation by cellulases has become a complementary approach for biofuel production. However, its efficiency is hindered by the recalcitrance of cellulose fibres. In this context, computational protein design methods may offer an efficient way to obtain variants with improved enzymatic activity. Cel9A-68 is a cellulase from Thermobifida fusca that is still active at high temperatures. In a previous work, we described a collective bending motion, which governs the overall cellulase dynamics. This movement promotes the approximation of its CBM and CD structural domains (that are connected by a flexible linker). We have identified two residues (G460 and P461) located at the linker that act as a hinge point. Herein, we applied a new level of protein design, focusing on the modulation of this collective motion to obtain cellulase variants with enhanced functional dynamics. We probed whether specific linker mutations would affect Cel9A-68 dynamics through computational simulations. We assumed that P461G and G460+ (with an extra glycine) constructs would present enhanced interdomain motions, while the G460P mutant would be rigid. From our results, the P461G mutation resulted in a broader exploration of the conformational space, as confirmed by clustering and free energy analyses. The WT enzyme was the most rigid system. However, G460P and P460+ explored distinct conformational states described by opposite directions of low-frequency normal modes; they sampled preferentially closed and open conformations, respectively. Overall, we highlight two significant findings: (i) all mutants explored larger conformational spaces than the WT; (ii) the selection of distinct conformational populations was intimately associated with the mutation considered. Thus, the engineering of Cel9A-68 motions through linker mutations may constitute an efficient way to improve cellulase activity, facilitating the disruption of cellulose fibres.

Statistical and dynamical remastering of classic exoplanet systems

NASA Astrophysics Data System (ADS)

Nelson, Benjamin Earl

The most powerful constraints on planet formation will come from characterizing the dynamical state of complex multi-planet systems. Unfortunately, with that complexity comes a number of factors that make analyzing these systems a computationally challenging endeavor: the sheer number of model parameters, a wonky shaped posterior distribution, and hundreds to thousands of time series measurements. In this dissertation, I will review our efforts to improve the statistical analyses of radial velocity (RV) data and their applications to some renown, dynamically complex exoplanet system. In the first project (Chapters 2 and 4), we develop a differential evolution Markov chain Monte Carlo (RUN DMC) algorithm to tackle the aforementioned difficult aspects of data analysis. We test the robustness of the algorithm in regards to the number of modeled planets (model dimensionality) and increasing dynamical strength. We apply RUN DMC to a couple classic multi-planet systems and one highly debated system from radial velocity surveys. In the second project (Chapter 5), we analyze RV data of 55 Cancri, a wide binary system known to harbor five planetary orbiting the primary. We find the inner-most planet "e" must be coplanar to within 40 degrees of the outer planets, otherwise Kozai-like perturbations will cause the planet to enter the stellar photosphere through its periastron passage. We find the orbits of planets "b" and "c" are apsidally aligned and librating with low to median amplitude (50+/-6 10 degrees), but they are not orbiting in a mean-motion resonance. In the third project (Chapters 3, 4, 6), we analyze RV data of Gliese 876, a four planet system with three participating in a multi-body resonance, i.e. a Laplace resonance. From a combined observational and statistical analysis computing Bayes factors, we find a four-planet model is favored over one with three-planets. Conditioned on this preferred model, we meaningfully constrain the three-dimensional orbital architecture of all the planets orbiting Gliese 876 based on the radial velocity data alone. By demanding orbital stability, we find the resonant planets have low mutual inclinations phi so they must be roughly coplanar (phicb = 1.41(+/-0.62/0.57) degrees and phibe = 3.87(+/-1.99/1.86 degrees). The three-dimensional Laplace argument librates chaotically with an amplitude of 50.5(+/-7.9/10.0) degrees, indicating significant past disk migration and ensuring long-term stability. In the final project (Chapter 7), we analyze the RV data for nu Octantis, a closely separated binary with an alleged planet orbiting interior and retrograde to the binary. Preliminary results place very tight constraints on the planet-binary mutual inclination but no model is dynamically stable beyond 105 years. These empirically derived models motivate the need for more sophisticated algorithms to analyze exoplanet data and will provide new challenges for planet formation models.

Symmetries in Lagrangian Dynamics

ERIC Educational Resources Information Center

Ferrario, Carlo; Passerini, Arianna

2007-01-01

In the framework of Noether's theorem, a distinction between Lagrangian and dynamical symmetries is made, in order to clarify some aspects neglected by textbooks. An intuitive setting of the concept of invariance of differential equations is presented. The analysis is completed by deriving the symmetry properties in the motion of a charged…

Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C-NO2 bond homolysis

NASA Astrophysics Data System (ADS)

Ampadu Boateng, Derrick; Gutsev, Gennady L.; Jena, Puru; Tibbetts, Katharine Moore

2018-04-01

Monosubstituted nitrotoluenes serve as important model compounds for nitroaromatic energetic molecules such as trinitrotoluene. This work investigates the ultrafast nuclear dynamics of 3- and 4-nitrotoluene radical cations using femtosecond pump-probe measurements and the results of density functional theory calculations. Strong-field adiabatic ionization of 3- and 4-nitrotoluene using 1500 nm, 18 fs pulses produces radical cations in the ground electronic state with distinct coherent vibrational excitations. In both nitrotoluene isomers, a one-photon excitation with the probe pulse results in NO2 loss to form C7H7+, which exhibits out-of-phase oscillations in yield with the parent molecular ion. The oscillations in 4-nitrotoluene with a period of 470 fs are attributed to the torsional motion of the NO2 group based on theoretical results showing that the dominant relaxation pathway in 4-nitrotoluene radical cations involves the rotation of the NO2 group away from the planar geometry. The distinctly faster oscillation period of 216 fs in 3-nitrotoluene is attributed to an in-plane bending motion of the NO2 and CH3 moieties based on analysis of the normal modes. These results demonstrate that coherent nuclear motions determine the probability of C-NO2 homolysis in the nitrotoluene radical cations upon optical excitation within several hundred femtoseconds of the initial ionization event.

A dynamic Monte Carlo model for predicting radiant exposure distribution in dental composites: model development and verifications

NASA Astrophysics Data System (ADS)

Chen, Yin-Chu; Ferracane, Jack L.; Prahl, Scott A.

2005-03-01

Photo-cured dental composites are widely used in dental practices to restore teeth due to the esthetic appearance of the composites and the ability to cure in situ. However, their complex optical characteristics make it difficult to understand the light transport within the composites and to predict the depth of cure. Our previous work showed that the absorption and scattering coefficients of the composite changed after the composite was cured. The static Monte Carlo simulation showed that the penetration of radiant exposures differed significantly for cured and uncured optical properties. This means that a dynamic model is required for accurate prediction of radiant exposure in the composites. The purpose of this study was to develop and verify a dynamic Monte Carlo (DMC) model simulating light propagation in dental composites that have dynamic optical properties while photons are absorbed. The composite was divided into many small cubes, each of which had its own scattering and absorption coefficients. As light passed through the composite, the light was scattered and absorbed. The amount of light absorbed in each cube was calculated using Beer's Law and was used to determine the next optical properties in that cube. Finally, the predicted total reflectance and transmittance as well as the optical property during curing were verified numerically and experimentally. Our results showed that the model predicted values agreed with the theoretical values within 1% difference. The DMC model results are comparable with experimental results within 5% differences.

Mental health law and the UN Convention on the rights of persons with disabilities

PubMed Central

Szmukler, George; Daw, Rowena; Callard, Felicity

2014-01-01

People with a mental illness may be subject to the UN Convention on the Rights of Persons with Disabilities (CRPD), depending on definitions of terms such as ‘impairment’, ‘long-term’ and the capaciousness of the word ‘includes’ in the Convention's characterisation of persons with disabilities. Particularly challenging under the CRPD is the scope, if any, for involuntary treatment. Conventional mental health legislation, such as the Mental Health Act (England and Wales) appears to violate, for example, Article 4 (‘no discrimination of any kind on the basis of disability’), Article 12 (persons shall ‘enjoy legal capacity on an equal basis with others in all aspects of life’) and Article 14 (‘the existence of a disability shall in no case justify a deprivation of liberty’). We argue that a form of mental health law, such as the Fusion Law proposal, is consistent with the principles of the CRPD. Such law is aimed at eliminating discrimination against persons with a mental illness. It covers all persons regardless of whether they have a ‘mental’ or a ‘physical’ illness, and only allows involuntary treatment when a person's decision-making capability (DMC) for a specific treatment decision is impaired — whatever the health setting or cause of the impairment — and where supported decision making has failed. In addition to impaired DMC, involuntary treatment would require an assessment that such treatment gives the person's values and perspective paramount importance. PMID:24280316

Study on the decomposition mechanism of alkyl carbonate on lithium metal by pyrolysis-gas chromatography-mass spectroscopy

NASA Astrophysics Data System (ADS)

Mogi, Ryo; Inaba, Minoru; Iriyama, Yasutoshi; Abe, Takeshi; Ogumi, Zempachi

The surface films formed on deposited lithium in electrolyte solutions based on ethylene carbonate (EC), diethyl carbonate (DEC), and dimethyl carbonate (DMC) were analyzed by pyrolysis-gas chromatography-mass spectroscopy (Py-GC-MS). In 1 M LiClO 4/EC, the main component of the surface film was easily hydrolyzed to give ethylene glycol after exposure to air, and hence was considered to have a chemical structure of ROCH 2CH 2OR', of which OR and OR' are OLi or OCO 2Li. Ethylene oxide, acetaldehyde, and 1,4-dioxane were detected in decomposition products, and they were considered to have been formed by pyrolysis of ROCH 2CH 2OR' in the pyrolyzer. The presence of ethanol in decomposition products confirmed that ring cleavage at the CH 2O bonds of EC occurs by one electron reduction. In addition, the presence of methanol implied the cleavage of the CC bond of EC upon reduction. From the surface films formed in 1 M LiClO 4/DEC and /DMC, ethanol and methanol, respectively, were detected, which suggested that corresponding lithium alkoxides and/or lithium alkyl carbonates were the main components. In 1 M LiClO 4/EC+DEC (1:1), EC dominantly decomposed to form the surface film. The surface film formed in 1 M LiPF 6/EC+DEC (1:1) contained a much smaller amount of organic compounds.

The efficacy and safety of herbal medicines used in the treatment of hyperlipidemia; a systematic review.

PubMed

Hasani-Ranjbar, Shirin; Nayebi, Neda; Moradi, Leila; Mehri, Avin; Larijani, Bagher; Abdollahi, Mohammad

2010-01-01

This review focuses on the efficacy and safety of effective herbal medicines in the management of hyperlipidemia in human. PubMed, Scopus, Google Scholar, Web of Science, and IranMedex databases were searched up to 11th May 2010. The search terms were "hyperlipidemia" and ("herbal medicine" or "medicine traditional", "extract plant") without narrowing or limiting search elements. All of the human studies on the effects of herbs with the key outcome of change in lipid profiles were included. Fifty three relevant clinical trials were reviewed for efficacy of plants. This study showed significant decrease in total cholesterol and LDL cholesterol after treatment with Daming capsule (DMC), chunghyul-dan, Glycyrrhiza glabra, garlic powder (Allicor), black tea, green tea, soy drink enriched with plant sterols, licorice, Satureja khuzestanica, Monascus purpureus Went rice, Fenugreek, Commiphora mukul (guggul), Achillea wilhelmsii C. Koch, Ningzhi capsule (NZC), cherry, compositie salviae dropping pill (CSDP), shanzha xiaozhi capsule, Ba-wei-wan (hachimijiogan), rhubarb stalk, Silybum marianum, Rheum Ribes and Jingmingdan granule (primrose oil). Conflicting data exist for red yeast rice, garlic and guggul. No significant adverse effect or mortality were observed except in studies with DMC, guggul, and Terminalia belerica, Terminalia chebula, Emblica officinalis, ginger, and garlic powder (Allium sativum). Amongst reviewed studies, 22 natural products were found effective in the treatment of hyperlipidemia that deserve further works to isolate and characterization of their constituents to reach novel therapeutic and more effective agents.

Thermal stability of LiPF 6 salt and Li-ion battery electrolytes containing LiPF 6

NASA Astrophysics Data System (ADS)

Yang, Hui; Zhuang, Guorong V.; Ross, Philip N.

The thermal stability of the neat lithium hexafluorophosphate (LiPF 6) salt and of 1 molal (m) solutions of LiPF 6 in prototypical Li-ion battery solvents was studied with thermogravimetric analysis (TGA) and on-line Fourier transform infrared (FTIR). Pure LiPF 6 salt is thermally stable up to 107 °C in a dry inert atmosphere, and its decomposition path is a simple dissociation producing lithium fluoride (LiF) as solid and PF 5 as gaseous products. In the presence of water (300 ppm) in the carrier gas, its decomposition onset temperature is lowered as a result of direct thermal reaction between LiPF 6 and water vapor to form phosphorous oxyfluoride (POF 3) and hydrofluoric acid (HF). No new products were observed in 1 m solutions of LiPF 6 in ethylene carbonate (EC), dimethyl carbonate (DMC) and ethyl methyl carbonate (EMC) by on-line TGA-FTIR analysis. The storage of the same solutions in sealed containers at 85 °C for 300-420 h did not produce any significant quantity of new products as well. In particular, no alkylflurophosphates were found in the solutions after storage at elevated temperature. In the absence of either an impurity like alcohol or cathode active material that may (or may not) act as a catalyst, there is no evidence of thermally induced reaction between LiPF 6 and the prototypical Li-ion battery solvents EC, PC, DMC or EMC.

Mental health law and the UN Convention on the rights of Persons with Disabilities.

PubMed

Szmukler, George; Daw, Rowena; Callard, Felicity

2014-01-01

People with a mental illness may be subject to the UN Convention on the Rights of Persons with Disabilities (CRPD), depending on definitions of terms such as 'impairment', 'long-term' and the capaciousness of the word 'includes' in the Convention's characterisation of persons with disabilities. Particularly challenging under the CRPD is the scope, if any, for involuntary treatment. Conventional mental health legislation, such as the Mental Health Act (England and Wales) appears to violate, for example, Article 4 ('no discrimination of any kind on the basis of disability'), Article 12 (persons shall 'enjoy legal capacity on an equal basis with others in all aspects of life') and Article 14 ('the existence of a disability shall in no case justify a deprivation of liberty'). We argue that a form of mental health law, such as the Fusion Law proposal, is consistent with the principles of the CRPD. Such law is aimed at eliminating discrimination against persons with a mental illness. It covers all persons regardless of whether they have a 'mental' or a 'physical' illness, and only allows involuntary treatment when a person's decision-making capability (DMC) for a specific treatment decision is impaired - whatever the health setting or cause of the impairment - and where supported decision making has failed. In addition to impaired DMC, involuntary treatment would require an assessment that such treatment gives the person's values and perspective paramount importance. Copyright © 2014 Elsevier Ltd. All rights reserved.

[Needles stable carbon isotope composition and traits of Pinus sylvestris var. mongolica in sparse wood grassland in south edge of Keerqin Sandy Land under the conditions of different precipitation].

PubMed

Song, Li-Ning; Zhu, Jiao-Jun; Li, Ming-Cai; Yan, Tao; Zhang, Jin-Xin

2012-06-01

A comparative study was conducted on the needles stable carbon isotope composition (delta13 C), specific leaf area (SLA), and dry matter content (DMC) of 19-year-old Pinus sylvestris var. mongolica trees in a sparse wood grassland in the south edge of Keerqin Sandy Land under the conditions of extreme drought and extreme wetness, aimed to understand the water use of Pinus sylvestris under the conditions of extreme precipitation. The soil water content and groundwater level were also measured. In the dry year (2009), the soil water content in the grassland was significantly lower than that in the wet year (2010), but the delta13C values of the current year-old needles had no significant difference between the two years and between the same months of the two years. The SLA of the current year-old needles was significantly lower in the dry year than in the wet year, but the DMC had no significant difference between the two years. Under the conditions of the two extreme precipitations, the water use efficiency of the trees did not vary remarkably, and the trees could change their needles SLA to adapt the variations of precipitation. For the test ecosystem with a groundwater level more than 3.0 m, extreme drought could have no serious impact on the growth and survival of the trees.

The Rice AAA-ATPase OsFIGNL1 Is Essential for Male Meiosis

PubMed Central

Zhang, Peipei; Zhang, Yingxin; Sun, Lianping; Sinumporn, Sittipun; Yang, Zhengfu; Sun, Bin; Xuan, Dandan; Li, Zihe; Yu, Ping; Wu, Weixun; Wang, Kejian; Cao, Liyong; Cheng, Shihua

2017-01-01

Meiosis is crucial in reproduction of plants and ensuring genetic diversity. Although several genes involved in homologous recombination and DNA repair have been reported, their functions in rice (Oryza sativa) male meiosis remain poorly understood. Here, we isolated and characterized the rice OsFIGNL1 (OsFidgetin-like 1) gene, encoding a conserved AAA-ATPase, and explored its function and importance in male meiosis and pollen formation. The rice Osfignl1 mutant exhibited normal vegetative growth, but failed to produce seeds and displayed pollen abortion phenotype. Phenotypic comparisons between the wild-type and Osfignl1 mutant demonstrated that OsFIGNL1 is required for anther development, and that the recessive mutation of this gene causes male sterility in rice. Complementation and CRISPR/Cas9 experiments demonstrated that wild-type OsFIGNL1 is responsible for the male sterility phenotype. Subcellular localization showed that OsFIGNL1-green fluorescent protein was exclusively localized in the nucleus of rice protoplasts. Male meiosis in the Osfignl1 mutant exhibited abnormal chromosome behavior, including chromosome bridges and multivalent chromosomes at diakinesis, lagging chromosomes, and chromosome fragments during meiosis. Yeast two-hybrid assays demonstrated OsFIGNL1 could interact with RAD51A1, RAD51A2, DMC1A, DMC1B, and these physical interactions were further confirmed by BiFC assay. Taken together, our results suggest that OsFIGNL1 plays an important role in regulation of male meiosis and anther development. PMID:29021797

Evolution of a policy disallowing the use of alternative therapies in a health system.

PubMed

Walker, P C

2000-11-01

The evolution of a policy disallowing patients' use of alternative therapies in a health system is described. The pharmacy and therapeutics (P&T) committee at Children's Hospital of Michigan, a part of the Detroit Medical Center (DMC), was asked to review the appropriateness of allowing inpatients to bring in and use alternative therapy products during their hospitalization. Recognizing the interest of consumers in alternative medicines and patients' growing involvement in their own care, the committee drafted a policy that allowed patients to continue taking dietary supplements after being admitted to the hospital. If the physician had no concerns about potential toxicities or drug interactions for a particular product, he or she would write a medication order allowing it to be used. Purchasing and administering the products were deemed the responsibility of the patient or the family. However, many issues concerning supplements remained unresolved, including questions about safety, efficacy, dosing, drug interactions, ethical conflicts, and liability. Ultimately, the P&T committee decided that the potential risks associated with alternative therapies outweighed potential benefits and adopted a policy disallowing the use of alternative therapies by hospitalized patients. The policy was eventually implemented at all eight DMC hospitals. A health system responded to patients' desire to continue their use of alternative therapies during hospitalization by drafting a policy allowing such use. However, concerns related to safety, efficacy, ethics, and liability led to the abandonment of the liberal policy and implementation of a highly restrictive one.

From D-sorbitol to five-membered bis(cyclo-carbonate) as a platform molecule for the synthesis of different original biobased chemicals and polymers.

PubMed

Furtwengler, Pierre; Avérous, Luc

2018-06-14

Bis(cyclo-carbonate) was successfully synthesized from D-sorbitol (Sorb-BisCC) through an environmentally friendly process with dimethyl carbonate (DMC) as a reactant. In agreement with green chemistry principles, solvent free reactions were catalyzed and took place at low temperature. The reaction yield was increased until 50%, with the use of 1.3.5-triazabicyclo[4.4.0]dec-5-ene as catalyst and a continuous DMC feed to limit the side-reactions or the loss of reactant by azeotropic flux with a reactional subsidiary product. The obtained Sorb-BisCC is a remarkable platform molecule which could compete with others polycyclic platform molecules (isosorbide). Sorb-BisCC can be e.g., used to synthesize different chemicals such as short and long polyols, or novel biobased non-isocyanate polyurethanes (NIPU). Two Sorb-BisCC molecules have been coupled to obtain novel cyclic diols with pendant side chains. Polyether polyols were also obtained by anionic ring opening polymerization. According to the synthesis conditions, these synthetized polyether polyols range from partially to highly cross-linked materials. Finally, NIPU were synthesized with short and biobased fatty diamines. These different modifications and synthesis highlight the versatility of the Sorb-BisCC and demonstrated its high potential as building block. Sorb-BisCC can be considered as a platform molecule to open the way to different original and biobased chemical architectures.

The notion of the motion: the neurocognition of motion lines in visual narratives.

PubMed

Cohn, Neil; Maher, Stephen

2015-03-19

Motion lines appear ubiquitously in graphic representation to depict the path of a moving object, most popularly in comics. Some researchers have argued that these graphic signs directly tie to the "streaks" appearing in the visual system when a viewer tracks an object (Burr, 2000), despite the fact that previous studies have been limited to offline measurements. Here, we directly examine the cognition of motion lines by comparing images in comic strips that depicted normal motion lines with those that either had no lines or anomalous, reversed lines. In Experiment 1, shorter viewing times appeared to images with normal lines than those with no lines, which were shorter than those with anomalous lines. In Experiment 2, measurements of event-related potentials (ERPs) showed that, compared to normal lines, panels with no lines elicited a posterior positivity that was distinct from the frontal positivity evoked by anomalous lines. These results suggested that motion lines aid in the comprehension of depicted events. LORETA source localization implicated greater activation of visual and language areas when understanding was made more difficult by anomalous lines. Furthermore, in both experiments, participants' experience reading comics modulated these effects, suggesting motion lines are not tied to aspects of the visual system, but rather are conventionalized parts of the "vocabulary" of the visual language of comics. Copyright © 2015 Elsevier B.V. All rights reserved.

Anomalous versus Slowed-Down Brownian Diffusion in the Ligand-Binding Equilibrium

PubMed Central

Soula, Hédi; Caré, Bertrand; Beslon, Guillaume; Berry, Hugues

2013-01-01

Measurements of protein motion in living cells and membranes consistently report transient anomalous diffusion (subdiffusion) that converges back to a Brownian motion with reduced diffusion coefficient at long times after the anomalous diffusion regime. Therefore, slowed-down Brownian motion could be considered the macroscopic limit of transient anomalous diffusion. On the other hand, membranes are also heterogeneous media in which Brownian motion may be locally slowed down due to variations in lipid composition. Here, we investigate whether both situations lead to a similar behavior for the reversible ligand-binding reaction in two dimensions. We compare the (long-time) equilibrium properties obtained with transient anomalous diffusion due to obstacle hindrance or power-law-distributed residence times (continuous-time random walks) to those obtained with space-dependent slowed-down Brownian motion. Using theoretical arguments and Monte Carlo simulations, we show that these three scenarios have distinctive effects on the apparent affinity of the reaction. Whereas continuous-time random walks decrease the apparent affinity of the reaction, locally slowed-down Brownian motion and local hindrance by obstacles both improve it. However, only in the case of slowed-down Brownian motion is the affinity maximal when the slowdown is restricted to a subregion of the available space. Hence, even at long times (equilibrium), these processes are different and exhibit irreconcilable behaviors when the area fraction of reduced mobility changes. PMID:24209851

The notion of the motion: The neurocognition of motion lines in visual narratives

PubMed Central

Cohn, Neil; Maher, Stephen

2015-01-01

Motion lines appear ubiquitously in graphic representation to depict the path of a moving object, most popularly in comics. Some researchers have argued that these graphic signs directly tie to the “streaks” appearing in the visual system when a viewer tracks an object (Burr, 2000), despite the fact that previous studies have been limited to offline measurements. Here, we directly examine the cognition of motion lines by comparing images in comic strips that depicted normal motion lines with those that either had no lines or anomalous, reversed lines. In Experiment 1, shorter viewing times appeared to images with normal lines than those with no lines, which were shorter than those with anomalous lines. In Experiment 2, measurements of event-related potentials (ERPs) showed that, compared to normal lines, panels with no lines elicited a posterior positivity that was distinct from the frontal positivity evoked by anomalous lines. These results suggested that motion lines aid in the comprehension of depicted events. LORETA source localization implicated greater activation of visual and language areas when understanding was made more difficult by anomalous lines. Furthermore, in both experiments, participants' experience reading comics modulated these effects, suggesting motion lines are not tied to aspects of the visual system, but rather are conventionalized parts of the “vocabulary” of the visual language of comics. PMID:25601006

The Glasgow-Maastricht foot model, evaluation of a 26 segment kinematic model of the foot.

PubMed

Oosterwaal, Michiel; Carbes, Sylvain; Telfer, Scott; Woodburn, James; Tørholm, Søren; Al-Munajjed, Amir A; van Rhijn, Lodewijk; Meijer, Kenneth

2016-01-01

Accurately measuring of intrinsic foot kinematics using skin mounted markers is difficult, limited in part by the physical dimensions of the foot. Existing kinematic foot models solve this problem by combining multiple bones into idealized rigid segments. This study presents a novel foot model that allows the motion of the 26 bones to be individually estimated via a combination of partial joint constraints and coupling the motion of separate joints using kinematic rhythms. Segmented CT data from one healthy subject was used to create a template Glasgow-Maastricht foot model (GM-model). Following this, the template was scaled to produce subject-specific models for five additional healthy participants using a surface scan of the foot and ankle. Forty-three skin mounted markers, mainly positioned around the foot and ankle, were used to capture the stance phase of the right foot of the six healthy participants during walking. The GM-model was then applied to calculate the intrinsic foot kinematics. Distinct motion patterns where found for all joints. The variability in outcome depended on the location of the joint, with reasonable results for sagittal plane motions and poor results for transverse plane motions. The results of the GM-model were comparable with existing literature, including bone pin studies, with respect to the range of motion, motion pattern and timing of the motion in the studied joints. This novel model is the most complete kinematic model to date. Further evaluation of the model is warranted.

A feasibility study of hand kinematics for EVA analysis using magnetic resonance imaging

NASA Technical Reports Server (NTRS)

Dickenson, Rueben D.; Lorenz, Christine H.; Peterson, Steven W.; Strauss, Alvin M.; Main, John A.

1992-01-01

A new method of analyzing the kinematics of joint motion is developed. Magnetic Resonance Imaging (MRI) offers several distinct advantages. Past methods of studying anatomic joint motion have usually centered on four approaches. These methods are x-ray projection, goniometric linkage analysis, sonic digitization, and landmark measurement of photogrammetry. Of these four, only x-ray is applicable for in vivo studies. The remaining three methods utilize other types of projections of inter-joint measurements, which can cause various types of error. MRI offers accuracy in measurement due to its tomographic nature (as opposed to projection) without the problems associated with x-ray dosage. Once the data acquisition of MR images was complete, the images were processed using a 3D volume rendering workstation. The metacarpalphalangeal (MCP) joint of the left index finger was selected and reconstructed into a three-dimensional graphic display. From the reconstructed volumetric images, measurements of the angles of movement of the applicable bones were obtained and processed by analyzing the screw motion of the MCP joint. Landmark positions were chosen at distinctive locations of the joint at fixed image threshold intensity levels to ensure repeatability. The primarily two dimensional planar motion of this joint was then studied using a method of constructing coordinate systems using three (or more) points. A transformation matrix based on a world coordinate system described the location and orientation of a local target coordinate system. Future research involving volume rendering of MRI data focusing on the internal kinematics of the hand's individual ligaments, cartilage, tendons, etc. will follow. Its findings will show the applicability of MRI to joint kinematics for gaining further knowledge of the hand-glove (power assisted) design for extravehicular activity (EVA).

Evaluating tsunami hazards from debris flows

USGS Publications Warehouse

Watts, P.; Walder, J.S.; ,

2003-01-01

Debris flows that enter water bodies may have significant kinetic energy, some of which is transferred to water motion or waves that can impact shorelines and structures. The associated hazards depend on the location of the affected area relative to the point at which the debris flow enters the water. Three distinct regions (splash zone, near field, and far field) may be identified. Experiments demonstrate that characteristics of the near field water wave, which is the only coherent wave to emerge from the splash zone, depend primarily on debris flow volume, debris flow submerged time of motion, and water depth at the point where debris flow motion stops. Near field wave characteristics commonly may be used as & proxy source for computational tsunami propagation. This result is used to assess hazards associated with potential debris flows entering a reservoir in the northwestern USA. ?? 2003 Millpress,.

Safety Ellipse Motion with Coarse Sun Angle Optimization

NASA Technical Reports Server (NTRS)

Naasz, Bo

2005-01-01

The Hubble Space Telescope Robotic Servicing and De-orbit Mission (HRSDM) was t o be performed by the unmanned Hubble Robotic Vehicle (HRV) consisting of a Deorbit Module (DM), responsible for the ultimate disposal of Hubble Space Telescope (HST) at the end of science operations, and an Ejection Module (EM), responsible for robotically servicing the HST to extend its useful operational lifetime. HRSDM consisted of eight distinct phases, including: launch, pursuit, proximity operations, capture, servicing, EM jettison and disposal, science operations, and deorbit. The scope of this paper is limited to the Proximity Operations phase of HRSDM. It introduces a relative motion strategy useful for Autonomous Rendezvous and Docking (AR&D) or Formation Flying missions where safe circumnavigation trajectories, or close proximity operations (tens or hundreds of meters) are required for extended periods of time. Parameters and algorithms used to model the relative motion of HRV with respect to HST during the Proximity Operations phase of the HRSDM are described. Specifically, the Safety Ellipse (SE) concept, convenient parameters for describing SE motion, and a concept for initializing SE motion around a target vehicle to coarsely optimize sun and relative navigation sensor angles are presented. The effects of solar incidence angle variations on sun angle optimization, and the effects of orbital perturbations and navigation uncertainty on long term SE motion are discussed.

Kinematic parameters of signed verbs.

PubMed

Malaia, Evie; Wilbur, Ronnie B; Milkovic, Marina

2013-10-01

Sign language users recruit physical properties of visual motion to convey linguistic information. Research on American Sign Language (ASL) indicates that signers systematically use kinematic features (e.g., velocity, deceleration) of dominant hand motion for distinguishing specific semantic properties of verb classes in production ( Malaia & Wilbur, 2012a) and process these distinctions as part of the phonological structure of these verb classes in comprehension ( Malaia, Ranaweera, Wilbur, & Talavage, 2012). These studies are driven by the event visibility hypothesis by Wilbur (2003), who proposed that such use of kinematic features should be universal to sign language (SL) by the grammaticalization of physics and geometry for linguistic purposes. In a prior motion capture study, Malaia and Wilbur (2012a) lent support for the event visibility hypothesis in ASL, but there has not been quantitative data from other SLs to test the generalization to other languages. The authors investigated the kinematic parameters of predicates in Croatian Sign Language ( Hrvatskom Znakovnom Jeziku [HZJ]). Kinematic features of verb signs were affected both by event structure of the predicate (semantics) and phrase position within the sentence (prosody). The data demonstrate that kinematic features of motion in HZJ verb signs are recruited to convey morphological and prosodic information. This is the first crosslinguistic motion capture confirmation that specific kinematic properties of articulator motion are grammaticalized in other SLs to express linguistic features.

Visual motion direction is represented in population-level neural response as measured by magnetoencephalography.

PubMed

Kaneoke, Y; Urakawa, T; Kakigi, R

2009-05-19

We investigated whether direction information is represented in the population-level neural response evoked by the visual motion stimulus, as measured by magnetoencephalography. Coherent motions with varied speed, varied direction, and different coherence level were presented using random dot kinematography. Peak latency of responses to motion onset was inversely related to speed in all directions, as previously reported, but no significant effect of direction on latency changes was identified. Mutual information entropy (IE) calculated using four-direction response data increased significantly (>2.14) after motion onset in 41.3% of response data and maximum IE was distributed at approximately 20 ms after peak response latency. When response waveforms showing significant differences (by multivariate discriminant analysis) in distribution of the three waveform parameters (peak amplitude, peak latency, and 75% waveform width) with stimulus directions were analyzed, 87 waveform stimulus directions (80.6%) were correctly estimated using these parameters. Correct estimation rate was unaffected by stimulus speed, but was affected by coherence level, even though both speed and coherence affected response amplitude similarly. Our results indicate that speed and direction of stimulus motion are represented in the distinct properties of a response waveform, suggesting that the human brain processes speed and direction separately, at least in part.

Selectivity to Translational Egomotion in Human Brain Motion Areas

PubMed Central

Pitzalis, Sabrina; Sdoia, Stefano; Bultrini, Alessandro; Committeri, Giorgia; Di Russo, Francesco; Fattori, Patrizia; Galletti, Claudio; Galati, Gaspare

2013-01-01

The optic flow generated when a person moves through the environment can be locally decomposed into several basic components, including radial, circular, translational and spiral motion. Since their analysis plays an important part in the visual perception and control of locomotion and posture it is likely that some brain regions in the primate dorsal visual pathway are specialized to distinguish among them. The aim of this study is to explore the sensitivity to different types of egomotion-compatible visual stimulations in the human motion-sensitive regions of the brain. Event-related fMRI experiments, 3D motion and wide-field stimulation, functional localizers and brain mapping methods were used to study the sensitivity of six distinct motion areas (V6, MT, MST+, V3A, CSv and an Intra-Parietal Sulcus motion [IPSmot] region) to different types of optic flow stimuli. Results show that only areas V6, MST+ and IPSmot are specialized in distinguishing among the various types of flow patterns, with a high response for the translational flow which was maximum in V6 and IPSmot and less marked in MST+. Given that during egomotion the translational optic flow conveys differential information about the near and far external objects, areas V6 and IPSmot likely process visual egomotion signals to extract information about the relative distance of objects with respect to the observer. Since area V6 is also involved in distinguishing object-motion from self-motion, it could provide information about location in space of moving and static objects during self-motion, particularly in a dynamically unstable environment. PMID:23577096

Long range thermal weapon sights for the German future infantryman program IdZ

NASA Astrophysics Data System (ADS)

Breiter, Rainer; Ihle, Tobias; Mauk, Karl-Heinz; Münzberg, Mario; Rode, Werner

2007-04-01

In December 2004 AIM started the series production of the HuntIR long range thermal weapon sight. The sight is fielded in the Germany Future Infantryman (IdZ) basic system and since that time in continuous service in various out of area missions with German participation. For very long identification ranges >1500m cooled technology still outperforms uncooled sights, even with respect to smaller size and lower weight because the typical F/1 design of uncooled systems overcompensates cooler weight for focal length >175mm. The HuntIR sight is therefore based on a cooled MWIR detection module for long range battlefield surveillance and target engagement. The device specifically is a perfect match to state of the art small arms like 0.50 cal sniper rifles or crew served weapons like the 40mm high velocity grenade machine gun (GMG) which provide engagement ranges >1500m and need an adequate sight performance beyond that. A recent modification of HuntIR was done to provide a wider field of view for improved situation awareness in urban operations and specifically to allow the engagement of the 40mm GMG in ranges between 250-1200m. The qualification tests of the sight by the German infantry were successfully completed mid 2006. To match the demand of the follow-up program IdZ-ES additional components have to be integrated. Most important are a laser range finder (LRF), 3 axis digital magnetic compass (DMC) and a wireless data link. LRF and DMC together with a highly sophisticated fire control computer provide improved first round hit probability, the DMC additionally improves the fire control in any case of steep trajectories or for pronounced ballistic trajectories to avoid any need to precisely level the GMG. This new sight is done under the brand name RangIR. An important additional feature is the interface for air burst ammunition (ABM). The optical distance is measured by the LRF, the fire control computer accurately evaluates the trajectory under the given angle, muzzle velocity, temperature and range conditions to define the time-of-flight. This fully integrated IR fire control system is available mid 2007. The development phase of the IdZES program is under contract, series deliveries expected in 2009. The RangIR will see some specific modifications for the link and a man machine interface to control the whole IdZ-ES system components ergonomically from the weapon with optimized power supply concepts to minimize the number of batteries, chargers etc.

A Study of the Errors of the Fixed-Node Approximation in Diffusion Monte Carlo

NASA Astrophysics Data System (ADS)

Rasch, Kevin M.

Quantum Monte Carlo techniques stochastically evaluate integrals to solve the many-body Schrodinger equation. QMC algorithms scale favorably in the number of particles simulated and enjoy applicability to a wide range of quantum systems. Advances in the core algorithms of the method and their implementations paired with the steady development of computational assets have carried the applicability of QMC beyond analytically treatable systems, such as the Homogeneous Electron Gas, and have extended QMC's domain to treat atoms, molecules, and solids containing as many as several hundred electrons. FN-DMC projects out the ground state of a wave function subject to constraints imposed by our ansatz to the problem. The constraints imposed by the fixed-node Approximation are poorly understood. One key step in developing any scientific theory or method is to qualify where the theory is inaccurate and to quantify how erroneous it is under these circumstances. I investigate the fixed-node errors as they evolve over changing charge density, system size, and effective core potentials. I begin by studying a simple system for which the nodes of the trial wave function can be solved almost exactly. By comparing two trial wave functions, a single determinant wave function flawed in a known way and a nearly exact wave function, I show that the fixed-node error increases when the charge density is increased. Next, I investigate a sequence of Lithium systems increasing in size from a single atom, to small molecules, up to the bulk metal form. Over these systems, FN-DMC calculations consistently recover 95% or more of the correlation energy of the system. Given this accuracy, I make a prediction for the binding energy of Li4 molecule. Last, I turn to analyzing the fixed-node error in first and second row atoms and their molecules. With the appropriate pseudo-potentials, these systems are iso-electronic, show similar geometries and states. One would expect with identical number of particles involved in the calculation, errors in the respective total energies of the two iso-electronic species would be quite similar. I observe, instead, that the first row atoms and their molecules have errors larger by twice or more in size. I identify a cause for this difference in iso-electronic species. The fixed-node errors in all of these cases are calculated by careful comparison to experimental results, showing that FN-DMC to be a robust tool for understanding quantum systems and also a method for new investigations into the nature of many-body effects.

Holding or Breaking with Ptolemy's Generalization: Considerations about the Motion of the Planetary Apsidal Lines in Medieval Islamic Astronomy.

PubMed

Mozaffari, S Mohammad

2017-03-01

Argument In the Almagest, Ptolemy finds that the apogee of Mercury moves progressively at a speed equal to his value for the rate of precession, namely one degree per century, in the tropical reference system of the ecliptic coordinates. He generalizes this to the other planets, so that the motions of the apogees of all five planets are assumed to be equal, while the solar apsidal line is taken to be fixed. In medieval Islamic astronomy, one change in this general proposition took place because of the discovery of the motion of the solar apogee in the ninth century, which gave rise to lengthy discussions on the speed of its motion. Initially Bīrūnī and later Ibn al-Zarqālluh assigned a proper motion to it, although at different rates. Nevertheless, appealing to the Ptolemaic generalization and interpreting it as a methodological axiom, the dominant idea became to extend it in order to include the motion of the solar apogee as well. Another change occurred after correctly making a distinction between the motion of the apogees and the rate of precession. Some Western Islamic astronomers generalized Ibn al-Zarqālluh's proper motion of the solar apogee to the apogees of the planets. Analogously, Ibn al-Shāṭir maintained that the motion of the apogees is faster than precession. Nevertheless, the Ptolemaic generalization in the case of the equality of the motions of the apogees remained untouchable, despite the notable development of planetary astronomy, in both theoretical and observational aspects, in the late Islamic period.