Probing molecular dynamics at the nanoscale via an individual paramagnetic center

Understanding the dynamics of molecules adsorbed to surfaces or confined to small volumes is a matter of increasing scientific and technological importance. Here, we demonstrate a pulse protocol using individual paramagnetic nitrogen vacancy (NV) centers in diamond to observe the time evolution of 1H spins from organic molecules located a few nanometers from the diamond surface. The protocol records temporal correlations among the interacting 1H spins, and thus is sensitive to the local system dynamics via its impact on the nuclear spin relaxation and interaction with the NV. We are able to gather information on the nanoscale rotational and translational diffusion dynamics by carefully analyzing the time dependence of the NMR signal. Applying this technique to various liquid and solid samples, we find evidence that liquid samples form a semi-solid layer of 1.5 nm thickness on the surface of diamond, where translational diffusion is suppressed while rotational diffusion remains present. Extensions of the present technique could be adapted to highlight the chemical composition of molecules tethered to the diamond surface or to investigate thermally or chemically activated dynamical processes such as molecular folding

Technical Performance and Energy Intensity of the Electrode-Separator Composite Manufacturing Process

AbstractEnergy storage is one of the key technological factors that determine the success of a sustainable future. Especially green mobility concepts for electric or hybrid electric vehicles highly depend upon storage technologies with high energy density and light-weight materials. At the same time, innovative production processes should be conceived that ensure energy and resource efficient manufacturing of these energy storage devices. This paper focuses on the technical as well as dynamic energetic performance analysis and evaluation of an innovative electrode-separator composite manufacturing process of lithium-ion batteries for automotive applications. The technical performance indicators such as battery capacity and the energy intensity of the manufacturing process are highly dependent upon process parameters, machine and product design. Hence, in-depth process knowledge must be acquired to understand interdependencies between all system components. Thus, the manufacturing process is analysed in terms of its dynamics, and correlations between process parameters, process energy demand and final product properties are assessed. The resulting knowledge is important for the subsequent design of large-scale products and processes involved design, as well as for characterisation of the manufacturing process for life cycle inventory databases or life cycle costing calculations

Probing molecular dynamics at the nanoscale via an individual paramagnetic centre

We demonstrate a protocol using individual nitrogen-vacancy centres in diamond to observe the time evolution of proton spins from organic molecules located a few nanometres from the diamond surface. The protocol records temporal correlations among the interacting protons, and thus is sensitive to the local dynamics via its impact on the nuclear spin relaxation and interaction with the nitrogen vacancy. We gather information on the nanoscale rotational and translational diffusion dynamics by analysing the time dependence of the nuclear magnetic resonance signal. Applying this technique to liquid and solid samples, we find evidence that liquid samples form a semi-solid layer of 1.5-nm thickness on the surface of diamond, where translational diffusion is suppressed while rotational diffusion remains present. Extensions of the present technique could be exploited to highlight the chemical composition of molecules tethered to the diamond surface or to investigate thermally or chemically activated dynamical processes such as molecular folding

Investigation on the International State of the Art of Micro Production Technology

The study “microPRO” dealing with the international state of the art of micro production technology was conducted by the above named Institutes. The objective of this study was to determine the worldwide state-of-the-art technology and research in micro production technology by means of scientific investigations and technical discussions with the technology leaders and, based on this, to identify the required research and development as well as the future potentials of these technologies in view of the market-overlapping economic utilization of miniaturized products

Illusory vowels in Spanish-English sequential bilinguals: Evidence that accurate L2 perception is neither necessary nor sufficient for accurate L2 production

Spanish native speakers are known to pronounce onset /sC/ clusters in English with a prothetic vowel, as in esport for sport, due to their native language phonotactic constraints. We assessed whether accurate production of e.g. spi instead of espi was related to accurate perceptual discrimination of this contrast in second language (L2) speech of Spanish–English sequential bilinguals. A same–different discrimination task in stimulus pairs such as spi–espi assessed speech perception and a phonemic verbal fluency task elicited speech production. Logistic mixed model regressions revealed significant differences in accuracy between the bilinguals and the English monolinguals, although some bilinguals performed within the monolingual range. For the production task, but not for the perception task, bilinguals with more exposure to English and greater grammatical knowledge of English performed significantly more accurately than those with less exposure and lower grammatical knowledge. There was no significant correlation between production accuracy and perception accuracy. Through examining phonotactic constraints, these results expand a growing body of research into single sounds which suggests dissociations between L2 perception and production. In contrast to predictions made by L2 speech models, the findings indicate that accurate L2 perception is neither necessary nor sufficient for accurate L2 production, and instead are interpreted to indicate that the two capacities recruit different executive control mechanisms and are acquired – at least to a certain extent – independently in L2 acquisition.Peer Reviewe

Play Analysis and Digital Portfolio of Major Oil Reservoirs in the Permian Basin: Application and Transfer of Advanced Geological and Engineering Technologies for Incremental Production Opportunities

A play portfolio is being constructed for the Permian Basin in west Texas and southeast New Mexico, the largest onshore petroleum-producing basin in the United States. Approximately 1,300 reservoirs in the Permian Basin have been identified as having cumulative production greater than 1 MMbbl (1.59 x 10{sup 5} m{sup 3}) of oil through 2000. Of these significant-sized reservoirs, approximately 1,000 are in Texas and 300 in New Mexico. There are 32 geologic plays that have been defined for Permian Basin oil reservoirs, and each of the 1,300 major reservoirs was assigned to a play. The reservoirs were mapped and compiled in a Geographic Information System (GIS) by play. The final reservoir shapefile for each play contains the geographic location of each reservoir. Associated reservoir information within the linked data tables includes RRC reservoir number and district (Texas only), official field and reservoir name, year reservoir was discovered, depth to top of the reservoir, production in 2000, and cumulative production through 2000. Some tables also list subplays. Play boundaries were drawn for each play; the boundaries include areas where fields in that play occur but are smaller than 1 MMbbl (1.59 x 10{sup 5} m{sup 3}) of cumulative production. Oil production from the reservoirs in the Permian Basin having cumulative production of >1 MMbbl (1.59 x 10{sup 5} m{sup 3}) was 301.4 MMbbl (4.79 x 10{sup 7} m{sup 3}) in 2000. Cumulative Permian Basin production through 2000 was 28.9 Bbbl (4.59 x 10{sup 9} m{sup 3}). The top four plays in cumulative production are the Northwest Shelf San Andres Platform Carbonate play (3.97 Bbbl [6.31 x 10{sup 8} m{sup 3}]), the Leonard Restricted Platform Carbonate play (3.30 Bbbl [5.25 x 10{sup 8} m{sup 3}]), the Pennsylvanian and Lower Permian Horseshoe Atoll Carbonate play (2.70 Bbbl [4.29 x 10{sup 8} m{sup 3}]), and the San Andres Platform Carbonate play (2.15 Bbbl [3.42 x 10{sup 8} m{sup 3}]). Detailed studies of three reservoirs are in progress: Kelly-Snyder (SACROC unit) in the Pennsylvanian and Lower Permian Horseshoe Atoll Carbonate play, Fullerton in the Leonard Restricted Platform Carbonate play, and Barnhart (Ellenburger) in the Ellenburger Selectively Dolomitized Ramp Carbonate play. For each of these detailed reservoir studies, technologies for further, economically viable exploitation are being investigated

Environmental variability in aquatic ecosystems: avenues for future multifactorial experiments

The relevance of considering environmental variability for understanding and predicting biological responses to environmental changes has resulted in a recent surge in variability-focused ecological research. However, integration of findings that emerge across studies and identification of remaining knowledge gaps in aquatic ecosystems remain critical. Here, we address these aspects by: (1) summarizing relevant terms of variability research including the components (characteristics) of variability and key interactions when considering multiple environmental factors; (2) identifying conceptual frameworks for understanding the consequences of environmental variability in single and multi-factorial scenarios; (3) highlighting challenges for bridging theoretical and experimental studies involving transitioning from simple to more complex scenarios; (4) proposing improved approaches to overcome current mismatches between theoretical predictions and experimental observations; and (5) providing a guide for designing integrated experiments across multiple scales, degrees of control, and complexity in light of their specific strengths and limitations

Genetic mapping for agronomic traits in a MAGIC population of common bean (Phaseolus vulgaris L.) under drought conditions

Background Common bean is an important staple crop in the tropics of Africa, Asia and the Americas. Particularly smallholder farmers rely on bean as a source for calories, protein and micronutrients. Drought is a major production constraint for common bean, a situation that will be aggravated with current climate change scenarios. In this context, new tools designed to understand the genetic basis governing the phenotypic responses to abiotic stress are required to improve transfer of desirable traits into cultivated beans. Results A multiparent advanced generation intercross (MAGIC) population of common bean was generated from eight Mesoamerican breeding lines representing the phenotypic and genotypic diversity of the CIAT Mesoamerican breeding program. This population was assessed under drought conditions in two field trials for yield, 100 seed weight, iron and zinc accumulation, phenology and pod harvest index. Transgressive segregation was observed for most of these traits. Yield was positively correlated with yield components and pod harvest index (PHI), and negative correlations were found with phenology traits and micromineral contents. Founder haplotypes in the population were identified using Genotyping by Sequencing (GBS). No major population structure was observed in the population. Whole Genome Sequencing (WGS) data from the founder lines was used to impute genotyping data for GWAS. Genetic mapping was carried out with two methods, using association mapping with GWAS, and linkage mapping with haplotype-based interval screening. Thirteen high confidence QTL were identified using both methods and several QTL hotspots were found controlling multiple traits. A major QTL hotspot located on chromosome Pv01 for phenology traits and yield was identified. Further hotspots affecting several traits were observed on chromosomes Pv03 and Pv08. A major QTL for seed Fe content was contributed by MIB778, the founder line with highest micromineral accumulation. Based on imputed WGS data, candidate genes are reported for the identified major QTL, and sequence changes were identified that could cause the phenotypic variation. Conclusions This work demonstrates the importance of this common bean MAGIC population for genetic mapping of agronomic traits, to identify trait associations for molecular breeding tool design and as a new genetic resource for the bean research community

Agreements between Industry and Academia on Publication Rights: A Retrospective Study of Protocols and Publications of Randomized Clinical Trials.

BACKGROUND: Little is known about publication agreements between industry and academic investigators in trial protocols and the consistency of these agreements with corresponding statements in publications. We aimed to investigate (i) the existence and types of publication agreements in trial protocols, (ii) the completeness and consistency of the reporting of these agreements in subsequent publications, and (iii) the frequency of co-authorship by industry employees. METHODS AND FINDINGS: We used a retrospective cohort of randomized clinical trials (RCTs) based on archived protocols approved by six research ethics committees between 13 January 2000 and 25 November 2003. Only RCTs with industry involvement were eligible. We investigated the documentation of publication agreements in RCT protocols and statements in corresponding journal publications. Of 647 eligible RCT protocols, 456 (70.5%) mentioned an agreement regarding publication of results. Of these 456, 393 (86.2%) documented an industry partner's right to disapprove or at least review proposed manuscripts; 39 (8.6%) agreements were without constraints of publication. The remaining 24 (5.3%) protocols referred to separate agreement documents not accessible to us. Of those 432 protocols with an accessible publication agreement, 268 (62.0%) trials were published. Most agreements documented in the protocol were not reported in the subsequent publication (197/268 [73.5%]). Of 71 agreements reported in publications, 52 (73.2%) were concordant with those documented in the protocol. In 14 of 37 (37.8%) publications in which statements suggested unrestricted publication rights, at least one co-author was an industry employee. In 25 protocol-publication pairs, author statements in publications suggested no constraints, but 18 corresponding protocols documented restricting agreements. CONCLUSIONS: Publication agreements constraining academic authors' independence are common. Journal articles seldom report on publication agreements, and, if they do, statements can be discrepant with the trial protocol

Prevalence, characteristics, and publication of discontinued randomized trials.

IMPORTANCE: The discontinuation of randomized clinical trials (RCTs) raises ethical concerns and often wastes scarce research resources. The epidemiology of discontinued RCTs, however, remains unclear. OBJECTIVES: To determine the prevalence, characteristics, and publication history of discontinued RCTs and to investigate factors associated with RCT discontinuation due to poor recruitment and with nonpublication. DESIGN AND SETTING: Retrospective cohort of RCTs based on archived protocols approved by 6 research ethics committees in Switzerland, Germany, and Canada between 2000 and 2003. We recorded trial characteristics and planned recruitment from included protocols. Last follow-up of RCTs was April 27, 2013. MAIN OUTCOMES AND MEASURES: Completion status, reported reasons for discontinuation, and publication status of RCTs as determined by correspondence with the research ethics committees, literature searches, and investigator surveys. RESULTS: After a median follow-up of 11.6 years (range, 8.8-12.6 years), 253 of 1017 included RCTs were discontinued (24.9% [95% CI, 22.3%-27.6%]). Only 96 of 253 discontinuations (37.9% [95% CI, 32.0%-44.3%]) were reported to ethics committees. The most frequent reason for discontinuation was poor recruitment (101/1017; 9.9% [95% CI, 8.2%-12.0%]). In multivariable analysis, industry sponsorship vs investigator sponsorship (8.4% vs 26.5%; odds ratio [OR], 0.25 [95% CI, 0.15-0.43]; P < .001) and a larger planned sample size in increments of 100 (-0.7%; OR, 0.96 [95% CI, 0.92-1.00]; P = .04) were associated with lower rates of discontinuation due to poor recruitment. Discontinued trials were more likely to remain unpublished than completed trials (55.1% vs 33.6%; OR, 3.19 [95% CI, 2.29-4.43]; P < .001). CONCLUSIONS AND RELEVANCE: In this sample of trials based on RCT protocols from 6 research ethics committees, discontinuation was common, with poor recruitment being the most frequently reported reason. Greater efforts are needed to ensure the reporting of trial discontinuation to research ethics committees and the publication of results of discontinued trials