654 research outputs found
Benchmark ab initio energy profiles for the gas-phase Y- + CH3X → CH3Y + X- (X,Y = F,Cl,Br): validation of hybrid DFT methods
No full textThe energetics of the gas-phase S(N)2 reactions Y- + CH3X- --> CH3Y + X- (where X,Y = F,Cl,Br), were studied using (variants on) the recent Wi and W2 ab initio computational thermochemistry methods. These calculations involve CCSD and CCSD(T) coupled cluster methods, basis sets of up to spdfgh quality, extrapolations to the one-particle basis set limit, and contributions of inner-shell correlation, scalar relativistic effects, and (where relevant) first-order spin-orbit coupling. Our computational predictions are in excellent agreement with experimental data where these have small error bars; in a number of other instances reexamination of the experimental data may be in order. Our computed benchmark data (including cases for which experimental data are unavailable altogether) are used to assess the quality of a number of compound thermochemistry schemes such as G2 theory, G3 theory, and CBS-QB3, as well as a variety of density functional theory methods. Upon applying some modifications to the level of theory used for the reference geometry (adding diffuse functions, replacing B3LYP by the very recently proposed mPW1K functional [Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811]), the compound methods appear to perform well. Only the "half-and-half" functionals BH&HLYP and mPWH&HPW91 and the empirical mPW1K functional, consistently find all required stationary points; the other functionals fail to find a transition state in the F/Br case. BH&HLYP and mPWH&HPW91 somewhat overcorrect for the tendency of B3LYP land, to a somewhat lesser extent, mPW1PW91) to underestimate barrier heights. The Becke97 and Becke97-1 functionals perform similarly to B3LYP for the problem under study, while the HCTH and HCTH-120 functionals both appear to underestimate central barriers. HCTH underestimates complexation energies; this problem is resolved in HCTH-120. mPW1K appears to exhibit the best performance of the functionals considered, although its energetics are still inferior to the compound thermochemistry methods. mPW1K, however, appears to be very suitable for generating reference geometries for more elaborate thermochemical methods in kinetics applications
Book review: Parthiban Muniandy. Politics of the Temporary: An Ethnography of Migrant Life in Urban Malaysia
No full text Parthiban Muniandy. Politics of the Temporary: An Ethnography of Migrant Life in Urban Malaysia. Petaling Jaya, Malaysia: Strategic Information and Research Development Centre. ISBN: 978-967-0630-48-9 </jats:p
A review of zirconium disulfide: Structural characterization, properties, applications, and prospects of dichalcogenide materials
No full textIn recent decades, two-dimensional (2D) materials have attracted significant attention for their unique electronic, optical, mechanical, and electrical properties, making them promising for applications in catalysis, solar cells, batteries, and superconductivity. Among 2D materials, transition-metal dichalcogenides (TMDCs) are noteworthy due to their tunable bandgap, high carrier mobility, and mechanical flexibility. Zirconium disulfide (ZrS2), a member of the TMDC family, stands out for its thermodynamic stability, environmental friendliness, and excellent thermoelectric properties. This paper provides an in-depth discussion of the synthesis of ZrS2 and its related materials, detailing various crystal structures and characterization methods. Additionally, the properties and applications of ZrS2 and its analogs are thoroughly reviewed, with a focus on their potential future developments
Politics of the temporary: migrant life in urban Malaysia
No full textIn this project, I look at an aspect of contemporary migration that has been largely sidelined and marginalized in mainstream debates, policy circles and research work – what happens to ‘host societies’ in the developing South that experience a rapid increase in numbers and diversity of urban populations owing to temporary migration. What are the implications of ‘temporariness’ on people’s everyday lives, practices, experiences, social environments and the urban spaces they inhabit? How does the presence and work of diverse groups of ‘temporary migrants’ alter and re-shape social, cultural and political dynamics of societies that have already been experiencing massive transformations and developments? What new forms, new practices, new networks, new hierarchies, new inequalities, and new strategies emerge in these contexts that might provide important knowledge from a transnational sociological perspective and critical studies standpoint? In order to address these broad questions, I looked at the experience of temporary labor migration in Malaysia, following a period of field research in the country. My concern that the agency of migrants is increasingly being looked at almost exclusively through an economistic, top-down lens dominated by development has prompted me to seek out the alternative experiences, conditions and practices that the Migration Development Nexus obscures and renders invisible. I sought to do this by looking at how 'temporariness' appears from below - from the perspectives of migrants, non-citizens and other inhabitants of an actual urban center in a fast-developing country of the Global South.Submission published under a 24 month embargo labeled 'U of I Access', the embargo will last until 2017-12-01The student, Parthiban Muniandy, accepted the attached license on 2015-10-06 at 09:12.The student, Parthiban Muniandy, submitted this Dissertation for approval on 2015-10-06 at 09:18.This Dissertation was approved for publication on 2015-10-07 at 16:08.DSpace SAF Submission Ingestion Package generated from Vireo submission #8708 on 2016-03-08 at 11:05:08Made available in DSpace on 2016-03-08T17:21:44Z (GMT). No. of bitstreams: 2
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Previous issue date: 2015-10-07Embargo set by: Seth Robbins for item 91487
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The effective use of virtualization for selection of data centers in a cloud computing environment
No full textA geo-spatial approach to perceive the groundwater regime of hard rock terrain- a case study from Morappur area, Dharmapuri district, South India
No full textThe goal of the present study is to identify the groundwater regime of Morappur area at Dharmapuri district, India. The study area covers an area of 410 sqkm. The area belongs to a hard rock terrain where the primary porosity is feeble and the secondary porosity offered by fracture, joints and shear zones etc, contributes to the groundwater regime. The availability of surface water resources is sparse and hence the groundwater repositories are intensely utilized. In the current study area, the availability of groundwater is limited due to scanty rainfall and poor recharge. The entire study area underlain by hard crystalline rocks of Archaean age, Charnokite and Hornblende epidote gneiss are the main rock types encountered in the area. The over exploitation of these resources more than the adequate recharge has resulted to decrease in the groundwater level. In this context, it is very much important to identify and understand the groundwater regime of this area for the better groundwater monitoring and conservation of this precious resource. Remote Sensing and GIS are playing a vital role in the advancement of hydro-geological studies. The use of conventional methods alone has its own limitations in comprehending the groundwater regime of the area. The integrated study using remote sensing, field studies together with GIS has helped to understand the role of structural, lithological and geomorphic units in controlling the groundwater occurrence and movement in the present study area. Various thematic maps were prepared from the satellite images and they were integrated and incorporated in a GIS platform along with collateral information to study the groundwater regime of Morappur area. The outcome of this study clearly shows the importance of the geospatial studies in identifying the role of satellite imageries and geospatial techniques to understand the groundwater regime of a hard rock terrain
Reciprocity and R&D Search: Applying the Behavioral Theory of The Firm to a Communitarian Context
No full textDo shareholders or stakeholders appropriate the rents from corporate diversification?: The influence of ownership structure
No full textA multicenter study of three-dimensional echocardiographic evaluation of normal pediatric left ventricular volumes and function
No full textBackground: Three-dimensional echocardiography (3DE) evaluation of left ventricular (LV) volume and function in pediatrics compares favorably with cardiac magnetic resonance imaging. The aim of this study was to establish from a multicenter, normal pediatric z-score values of 3DE left ventricular volumes and function. Methods: Six hundred and ninety-eight healthy children (ages 0–18 years) were recruited from five centers. LV 3DE was acquired from the 4-chamber view. A vendor-independent software analyzed end-diastolic volume (EDV), end-systolic volume (ESV), stroke volume (SV), and ejection fraction (EF) using semi-automated quantification. Body surface area (BSA)-based z-scores were generated. Intraobserver and interobserver variability were calculated using intraclass correlation (ICC) and repeatability coefficient (RC). Results: Z-scores were generated for ESV, EDV, and SV. The ICC for intraobserver variability for EDV, ESV, and SV was 0.99, 0.99, and 0.99, respectively. The ICC for interobserver variability for EDV, ESV, and SV was 0.98, 0.94, and 0.98, respectively. The RC for intraobserver and interobserver variability for LV EF was 4.39% (95% CI: 3.01, 5.59) and interobserver was 7.08% (95%CI: 5.51, 8.42). Conclusions: We report pediatric z-scores for normal LV volumes using the semi-automated method from five centers, enhancing its generalizability. 3DE evaluation of LV volumes and EF in pediatric patients is highly reproducible
High-throughput phenotyping and genetic mapping of drought stress related traits in setaria (Setaria spp) and rice (Oryza spp)
No full textDrought stress is one of the most important and complex abiotic stresses limiting crop yield. Therefore, it is essential to dissect this complex trait and understand mechanisms of drought resistance in the field. In this research, experiments were conducted in Setaria, a model C4 crop, and rice, a model C3 crop, in order to understand their response to managed water stress conditions. Chapters 2 and 3 are focused on phenotyping and genetic mapping for water-use efficiency (WUE) related traits in different Setaria populations. Chapter 4 is focused on phenotypic characterization of wild rice species for drought stress related traits.
Mechanistic modeling indicates that stomatal conductance could be reduced to improve WUE in important C4 crops such as maize, sorghum and sugar cane. In Chapter 2, a novel image capture process was used to evaluate genetic variation in stomatal density, alongside canopy temperature as a proxy for canopy water use, in the model C4 plant, Setaria. An optical profilometer was used to generate a quantitative measurement of a patch of leaf surface to rapidly assess stomatal patterning. And the canopy temperature of the plots were measured using aerial infrared imaging. A population of 120 recombinant inbred lines (RIL) derived from an Setaria italica x Setaria viridis cross were grown with ample or limiting water supply under field conditions in Illinois. The total above-ground biomass was negatively correlated with canopy temperature and stomatal density whereas stomatal density and canopy temperature were positively correlated. These trait relationships suggests the an interaction is likely occurring between stomatal density and the other drivers of water use such as stomatal size and aperture. Multiple QTLs were identified for stomatal density and canopy temperature, including co-located QTLs on chromosomes 5 and 9. The direction of the additive effect of these QTLs on chromosome 5 and 9 were in accordance with the positive phenotypic relationship between these two traits. These identified QTLs could help us understand the genetic architecture of the trait and potentially be used in breeding programs develop plants with altered stomatal density.
In the Chapter 3, a set of 208 Setaria accessions were screened under ample or limiting water supply under field conditions in Illinois. The traits and phenotyping methods were the same as described in Chapter 2. In contrast to the Chapter 2, the population screened is a diversity panel where the variation for traits arises due to the historical recombination events. Significant negative correlations were observed between midday canopy temperature and above-ground biomass, and between stomatal density and above-ground biomass. The stomatal density was higher in the dry treatment when compared to wet treatment. A total of 25 significant marker trait associations were identified in this study for stomatal density and midday canopy temperature under both wet and dry treatments. By scanning across the genomic regions of the 25 SNPs, 59 candidate genes were identified using the annotated Setaria viridis genome. Genetics resources for Setaria could now be used to functionally validate these candidate genes.
Rice is the staple food for nearly half of the world’s population and consumes 24-30% of the freshwater resources. However, rice production is affected by water stress especially during seedling and reproductive stages of growth. Therefore, developing drought resistant and water use efficient rice varieties is essential to improve productivity in farmers’ fields that are affected by drought. Because drought resistance is a complex trait, identifying novel genetic regions responsible for drought resistance will be beneficial to the development of better drought resistant varieties. A potential source of novel genetic regions for drought resistance is wild rice. In this study, a panel of Oryza glumaepatula accessions from the genebank of International Rice Research Institute (IRRI) and National Institute of Genetics (NIG), Japan were screened for drought stress related traits (Chapter 4). O. glumaepatula is one of the 21 wild rice species originating from South America with a diploid AA genome similar to O. sativa and to date has received very little detailed study related to drought resistance. In this study, 69 accessions were screened along with O. sativa check lines S. Dhan (drought resistant) and IR64 (drought susceptible) for morphological and physiological traits under drought and well-watered conditions, in two different seasons, under screen house condition at IRRI. The traits that were measured include shoot dry weight, plant height, tiller number, chlorophyll content, canopy temperature, specific leaf area, leaf water and osmotic potential, crown root number, root length density at different depths and percent lateral roots. Six O. glumaepatula accessions showed lower shoot dry weight reduction due to drought than S.dhan in both seasons and were shortlisted as donors for drought resistance. In addition, these six genotypes had a greater deep root percentage and lower stomatal density than S.dhan in both seasons.
Another set of experiments was conducted in lysimeters (cylindrical pots) under greenhouse condition with progenies of two F2 populations derived from crosses between Oryza sativa and O. glumaepatula, the corresponding parents and O. sativa checks. The two O. glumaepatula parental genotypes 105692 (Parent of Population 1) and 105672 (Parent of Population 2) had higher shoot dry weight, plant height, number of tillers, maximum root depth, and total root dry weights than all O. sativa checks. It was observed that water uptake rate was negatively correlated with deeper root dry weight in Population 1 (NSICRc222 x 105692), whereas water uptake rate was negatively correlated with leaf water and osmotic potential in Population 2 (NSICRc222 x 105672). These differences indicate that the two populations responded differently to drought stress conditions and Population 1 tended to express a conservative approach to water use when compared to Population 2.
Thus these combined experiments successfully screened for water use and drought resistance related traits in two crops belonging to C3 and C4 system under well-watered and water limited conditions using different phenotypic techniques. Multiple QTL and candidate genes associated with water use related traits in the Setaria studies could be used in the crop improvement programs either through forward or reverse genetics approach. The accessions shortlisted as donors for drought resistance in the rice study could be used in breeding rice for drought conditions.Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2022-05-01The student, Parthiban Thathapalli Prakash, accepted the attached license on 2020-05-05 at 21:59.The student, Parthiban Thathapalli Prakash, submitted this Dissertation for approval on 2020-05-05 at 22:15.This Dissertation was approved for publication on 2020-05-07 at 11:50.DSpace SAF Submission Ingestion Package generated from Vireo submission #15235 on 2020-08-25 at 17:43:12Made available in DSpace on 2020-08-27T00:51:25Z (GMT). No. of bitstreams: 3
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Previous issue date: 2020-05-07Embargo set by: Seth Robbins for item 115932
Lift date: 2022-08-27T00:51:40Z
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