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The version of this article on this repository is an arXiv preprint (arXiv:2208.14575v2 [physics.ins-det] Mon, 6 Mar 2023 19:46:42 UTC (39,794 KB)) submitted to Elsevier and is not the final, peer reviewed, corrected article. It is made available under a Creative Commons (CC BY 4.0) Attribution License. This article presents a collection of simulation studies using the ECCE detector concept in the context of the EIC's exclusive, diffractive, and tagging physics program, which aims to further explore the rich quark–gluon structure of nucleons and nuclei. To successfully execute the program, ECCE proposed to utilize the detector system close to the beamline to ensure exclusivity and tag ion beam/fragments for a particular reaction of interest. Preliminary studies confirm the proposed technology and design satisfy the requirements. The projected physics impact results are based on the projected detector performance from the simulation at 10 or 100 fb−1 of integrated luminosity. Additionally, insights related to a potential second EIC detector are documented, which could serve as a guidepost for future development. Office of Nuclear Physics in the Office of Science in the Department of Energy, the National Science Foundation, USA, the Los Alamos National Laboratory Directed Research and Development (LDRD), USA 20200022DR, the Natural Sciences and Engineering Research Council of Canada (NSERC), and the UK Research and Innovation Science and Technology Facilities Council; This research used resources from the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725; Brookhaven National Lab and the Thomas Jefferson National Accelerator Facility which are operated under contracts DE-SC0012704 and DE-AC05-06OR23177 respectively.

We performed feasibility studies for various single transverse spin measurements that are related to the Sivers effect, transversity and the tensor charge, and the Collins fragmentation function. The processes studied include semi-inclusive deep inelastic scattering (SIDIS) where single hadrons (pions and kaons) were detected in addition to the scattered DIS lepton. The data were obtained in {\sc pythia}6 and {\sc geant}4 simulated e+p collisions at 18 GeV on 275 GeV, 18 on 100, 10 on 100, and 5 on 41 that use the ECCE detector configuration. Typical DIS kinematics were selected, most notably $Q^2 > 1 $ GeV$^2$, and cover the $x$ range from $10^{-4}$ to $1$. The single spin asymmetries were extracted as a function of $x$ and $Q^2$, as well as the semi-inclusive variables $z$, and $P_T$. They are obtained in azimuthal moments in combinations of the azimuthal angles of the hadron transverse momentum and transverse spin of the nucleon relative to the lepton scattering plane. The initially unpolarized MonteCarlo was re-weighted in the true kinematic variables, hadron types and parton flavors based on global fits of fixed target SIDIS experiments and $e^+e^-$ annihilation data. The expected statistical precision of such measurements is extrapolated to 10 fb$^{-1}$ and potential systematic uncertainties are approximated given the deviations between true and reconstructed yields. The impact on the knowledge of the Sivers functions, transversity and tensor charges, and the Collins function has then been evaluated in the same phenomenological extractions as in the Yellow Report. The impact is found to be comparable to that obtained with the parameterized Yellow Report detector and shows that the ECCE detector configuration can fulfill the physics goals on these quantities., 22 pages, 22 figures, to be submitted to joint ECCE proposal NIM-A volume

Background /Objectives: This study aimed to validate five published ActiGraph (AG) cut-off points for the measurements of physical activity (PA) and sedentary time (ST) in ambulatory children and young adults with cerebral palsy (CP). Additionally, four energy expenditure (EE) prediction equations based on AG counts and activPAL (AP) steps were examined in this population, using oxygen uptake (VO2) as the criterion. Methods Four male and six female participants with CP (Gross Motor Function Classification System levels I–III, ages 9–21 years) completed seven activities while simultaneously wearing an AG, AP monitor and indirect calorimetry unit. VO2 was measured on a breath-by-breath basis using the indirect calorimetry and was converted into EE using metabolic equivalents. AG counts were classified as sedentary, light PA (LPA) or moderate-to-vigorous PA (MVPA) using five cut-off points: Puyau, Evenson, Romanzini, Clanchy and Baque. The predicted EE was computed using three AG-based equations (Freedson, Trost and Treuth) and an AP step-based equation. Results Based on 1920 available data points from the 10 participants, Baque (r = 0.896, κ = 0.773) and Clanchy (r = 0.935, κ = 0.721) AG cut-off points classified PA and ST most accurately. All the equations overestimated EE during sitting activities and underestimated EE during rapid walking. The Freedson, Treuth and AP equations exhibited systematic bias during rapid walking, as their differences from the criterion measure increased progressively with increasing activity intensity. Conclusions The AG accurately classified PA and ST when the Baque and Clanchy cut-off points were used. However, none of the available AG or AP equations accurately predicted the EE during PA and ST in children and young adults with CP. Further development is needed to ensure that both devices can estimate EE accurately in this population.

Simple one-step synthesis of LiMn0.5Ni0.3Co0.2O2 thin film on Al-doped ZnO transparent current collector has been achieved and integrated on regular glass substrates using a pulsed laser deposition technique. The crystal structure, texture properties, film morphology, and electrochemical properties are compared before and after galvanostatic cycling process. The Al-doped ZnO current collector shows excellent stability after the cycling. Simple ellipsometry measurement coupled with AFM and SEM has been successfully applied to analyze the film failure mode in the half-cell. The successful integration of the cathode on glass substrates and the application of optical-based failure analysis provide an insightful approach for potential in operando analysis on solid-state batteries.

Background/objective: The Active Healthy Kids 2018 Hong Kong Report Card provides evidence-based assessment across 12 indicators of physical activity behaviors, sleep, and related community and government initiatives for children and youth. Methods: The systematic development process provided by the Active Healthy Kids Global Alliance was used. The best available data from the past 10 years were reviewed by a panel of experts. According to predefined benchmarks, letter grades were assigned to 12 indicators (Overall Physical Activity, Organized Sport Participation, Active Play, Active Transportation, Sedentary Behaviors, Physical Fitness, Sleep, Family, School, Community and Environment, Government, and Obesity). Results: Three of the five activity behaviors received C- or C grades: Overall Physical Activity (C-), Sedentary Behaviors (C-), and Organized Sport Participation (C). Active Transportation was graded B + . Same to the 2016 Hong Kong Report Card, Active Play could not be graded. School and Government were graded C. Family and Community and Environment was graded D- and B, respectively. Three new indicators were added after the 2016 Report Card and they were graded from C- (Sleep) to D (Physical Fitness) or D- (Obesity). Conclusions: Children and youth in Hong Kong have low physical activity and physical fitness levels and high sedentary behaviors despite a generally favorable community environment. A high prevalence of obesity and low levels of family support warrant more public health action. Researchers should address the surveillance gap in active play and peer support. Keywords: Exercise, Family support, Overweight, Physical fitness, Sleep

Childhood physical activity (PA) is important for health across the lifespan. Time pre-schoolers spend outdoors, which has been associated with more PA, is likely influenced by parents’ perception of neighbourhood informal social control relevant to pre-schoolers' PA, defined as the willingness of neighbours to intervene to ensure social order and a safe community environment for young children's active play. To advance measurement of this construct, we assessed factorial and construct validities of the PA-related neighbourhood informal social control scale for parents of pre-schoolers (PANISC-PP). In 2013–2014, Hong Kong primary caregivers (n=394) of 3–5 year-old children completed a socio-demographic questionnaire, the preliminary version of the PANISC-PP, and self-report measures of theoretical neighbourhood correlates of PA-related neighbourhood informal social control (perceived signs of physical and social disorder, community cohesion, perceived stranger danger, risk of unintentional injury and traffic safety). The fit of the data to an a priori measurement model of the PANISC-PP was examined using confirmatory factor analyses. As the a priori model showed inadequate fit to the data, the factor structure was re-specified based on theoretical considerations. The final measurement models of the PANISC-PP showed acceptable fit to the data and consisted of three correlated latent factors: “General informal supervision”, “Civic engagement for the creation of a better neighbourhood environment” and “Educating and assisting neighbourhood children”. The internal reliability of the subscales was good (Cronbach's α values 0.82–0.89). Generalised additive mixed models indicated that all subscales were positively associated with community cohesion and scores on the subscale “Educating and assisting neighbourhood children” were related in the expected direction to all indicators of traffic and personal safety, supporting construct validity of the PANISC-PP. This study suggests that the PANISC-PP is a reliable and valid instrument for assessing parents’ perceived neighbourhood informal social control related to pre-schoolers' PA., Highlights • Unsafe environments can negatively impact on pre-schooler's physical activity (PA). • Parents' willingness to let children play outdoors depend on perceptions of safety. • Neighbourhood informal social control may affect parents’ perceptions of safety. • An informal social control scale relevant to pre-schoolers’ PA was validated. • The scale consisted of three latent factors that were related to safety perceptions.

Summary: The human cerebral cortex possesses distinct structural and functional features that are not found in the lower species traditionally used to model brain development and disease. Accordingly, considerable attention has been placed on the development of methods to direct pluripotent stem cells to form human brain-like structures termed organoids. However, many organoid differentiation protocols are inefficient and display marked variability in their ability to recapitulate the three-dimensional architecture and course of neurogenesis in the developing human brain. Here, we describe optimized organoid culture methods that efficiently and reliably produce cortical and basal ganglia structures similar to those in the human fetal brain in vivo. Neurons within the organoids are functional and exhibit network-like activities. We further demonstrate the utility of this organoid system for modeling the teratogenic effects of Zika virus on the developing brain and identifying more susceptibility receptors and therapeutic compounds that can mitigate its destructive actions. : Cerebral organoids recapitulate many aspects of human corticogenesis and are a useful platform for modeling neurodevelopmental mechanisms and diseases. Watanabe et al. describe enhanced organoid methods and model ZIKV pathology. More susceptibility receptors for ZIKV are identified, and differential effects of various compounds to mitigate ZIKV-induced cytopathy are demonstrated. Keywords: neurogenesis, neural stem cell, embryonic stem cell, organoid, differentiation, neural development, cerebral cortex, Zika virus, human brain

EAST tokamak has been equipped with upper tungsten divertor since 2014. The tungsten accumulation has been often observed in NBI-heated H-mode discharges suggesting deleterious tungsten confinement in the plasma core. It causes not only H-L back transition but also plasma disruption in several discharges. Suppression of the tungsten accumulation is therefore the most important issue in EAST to achieve a long pulse H-mode discharge. In order to study the tungsten behavior in the long pulse discharge, tungsten spectra have been measured at 20–140Å. The tungsten density, nw, is evaluated from the intensity of tungsten unresolved transition array (W-UTA) in a wavelength range of 45–70Å which is composed of several ionization stages of tungsten, e.g. W27+-W45+ at Te0∼2.5keV). It is found that the tungsten accumulation can be suppressed when the 4.6GHz LHW with PLHW∼0.8MW is superimposed on the NBI phase (PNBI= 1.9MW). During the superimposed phase the ELM frequency, fELM, increases from ∼30Hz to ∼60Hz and the tungsten density is halved compared to the NBI-heated discharge. The H-mode discharge can be thus steadily sustained for longer period. It is found that the nw is a large function of the ratio of LHW power to the total injection power, PLHW/(PLHW+PNBI), and the nw can be reduced, at least, in an order of magnitude smaller than that in NBI-heated discharges at PLHW/(PLHW+PNBI)≥0.8. The result strongly suggests a possible way toward the steady H-mode discharge. Keywords: EAST, Tungsten divertor, Tungsten spectrum, ELMy H-mode, Impurity accumulation

Due to the lack of free neutron targets, studies of the structure of the neutron are typically made by scattering electrons from either 2H or 3He targets. In order to extract useful neutron information from a 3He target, one must understand how the neutron in a 3He system differs from a free neutron by taking into account nuclear effects such as final state interactions and meson exchange currents. The target single spin asymmetry Ay0 is an ideal probe of such effects, as any deviation from zero indicates effects beyond plane wave impulse approximation. New measurements of the target single spin asymmetry Ay0 at Q2 of 0.46 and 0.96 (GeV/c)2 were made at Jefferson Lab using the quasi-elastic He↑3(e,e′n) reaction. Our measured asymmetry decreases rapidly, from >20% at Q2=0.46 (GeV/c)2 to nearly zero at Q2=0.96 (GeV/c)2, demonstrating the fall-off of the reaction mechanism effects as Q2 increases. We also observed a small ϵ-dependent increase in Ay0 compared to previous measurements, particularly at moderate Q2. This indicates that upcoming high Q2 measurements from the Jefferson Lab 12 GeV program can cleanly probe neutron structure from polarized 3He using plane wave impulse approximation. Keywords: Neutron, Quasi-elastic, Polarized, 3He, Electron scattering, Single spin asymmetry

Cell surface molecules are important for development and function of multicellular organisms. Although several methods are available to identify ligand-receptor pairs, ELISA-based methods are particularly amenable to high-throughput screens. ELISA-based methods have high sensitivity and low false-positive rates for detecting protein-protein interaction (PPI) complexes. Here, we provide a detailed protocol for a 384-well ELISA-based PPI screening protocol for the identification of novel cell surface ligand-receptor interactions, together with considerations for validation of PPIs by biophysical methods. This PPI screen has been developed and tested for discovery of novel ligand-receptor pairs between human synaptic adhesion proteins, believed to play crucial roles in many steps of neurodevelopment, from neuronal maturation, to axon guidance, synapse connectivity, and pruning.

Accurate protein structure determination by solution-state NMR is challenging for proteins greater than about 20 kDa, for which extensive perdeuteration is generally required, providing experimental data that is incomplete (sparse) and ambiguous. However, the massive increase in evolutionary sequence information coupled with advances in methods for sequence covariance analysis can provide reliable residue-residue contact information for a protein from sequence data alone. These “evolutionary couplings (ECs)” can be combined with sparse NMR data to determine accurate 3D protein structures. This hybrid “EC-NMR” method has been developed using NMR data for several soluble proteins, and validated by comparison with corresponding reference structures determined by X-ray crystallography and/or conventional NMR methods. For small proteins, only backbone resonance assignments are utilized, while for larger proteins both backbone and some sidechain methyl resonance assignments are generally required. ECs can be combined with sparse NMR data obtained on deuterated, selectively-protonated protein samples to provide structures that are more accurate and complete than those obtained using such sparse NMR data alone. EC-NMR also has significant potential for analysis of protein structures from solid-state NMR data, and for studies of integral membrane proteins. The requirement that ECs are consistent with NMR data recorded on a specific member of a protein family, under specific conditions, also allows identification of ECs that reflect alternative allosteric or excited states of the protein structure.

Bone and dentin are mineralized extracellular matrices produced by osteoblasts and odontoblasts, respectively, and their major organic portion is type I collagen. Dentinogenesis Imperfecta (DGI) is one of the most common clinically- and genetically-based disturbances of dentin formation, causing irreversible dentin defects. Among several types of DGI, patients with DGI type II exhibit opalescent dentin with partial or complete pulp obliteration. It has been previously reported that the non-sense mutation (c.133C>T) in Dentin Sialophosphoprotein (DSPP) was identified in DGI type II patients at glutamine residue 45, resulting in the premature stop codon (p.Q45X). DSPP is known to be synthesized as a single gene product and further processed at Gly462-Asp463, resulting in the production of Dentin Sialoprotein (DSP) and Dentin Phosphoprotein (DPP). We hypothesized that the shorter form (Q45X) of N-terminal Dentin Sialoprotein (N-DSP) may cause over-production of type I collagen protein as obliterated pulp is occupied by dentin. To test this hypothesis, we generated mouse recombinant Glutathione-S-Transferase (GST)-N-DSP fusion protein, and the effect of GST-N-DSP was investigated in calvarial bone explant culture and MC3T3-E1 osteoblastic culture systems. Here we show that a significant increase in calvarial bone formation is observed by GST-N-DSP. GST-N-DSP accelerates MC3T3-E1 osteoblast cell growth and proliferation and subsequent osteoblast differentiation by inducing the expression of certain osteogenic markers such as type I collagen, Runx2, Osterix and ATF4. Interestingly, GST-N-DSP significantly enhances dentinogenesis marker gene expression including Dspp and Dmp1 gene expression in non-odontogenic MC3T3-E1 cells. To rule out any artificial effect of GST-tag, we also used the synthetic peptide of N-DSP and confirmed the results of N-DSP peptide were essentially similar to those of GST-N-DSP. Taken together, our data suggest that N-DSP promotes bone formation by accelerating osteoblast cell proliferation and subsequent osteoblast differentiation accompanied by marked up-regulation of the dentin matrix markers, such as Dspp and Dmp1 genes., Highlights • Recombinant N-terminal DSP (N-DSP) protein was generated. • N-DSP mimics the non-sense mutation form of Dentinogenesis Imperfecta type II. • N-DSP enhances bone formation in clavarial ex vivo cultures. • N-DSP accelerates osteoblast proliferation. • N-DSP upregulates type I collagen and Dspp expression in non-odontogenic osteoblasts.

This article peruses the correlations between structural characteristics and physicochemical properties of catalyst materials, electrified interfaces, and catalyst layers for polymer electrolyte fuel cells. It identifies and explains the main factors impacting the effective electrocatalytic activity and stability of the catalyst. Theory, modeling, and simulation provide crucial guidance in efforts to unravel these complex relations and accentuating their rapidly evolving utility in materials selection and design is the prime concern of this contribution.

The discovery of dental stem cells provided a new avenue for cell-based tissue engineering and regeneration of dental tissues. These dental tissue–derived mesenchymal stem/stromal cells (MSCs) share characteristics similar to other MSCs, yet, they are subtly different. They are relatively robust stem/progenitor cells, and these cells can proliferate many times in cultures, reaching a large number from a small population at the time of isolation. Since their discovery, tremendous progress has been made demonstrating their potential in dental tissue regeneration in small and large animal models. This chapter will review the recent studies on the characteristics of several dental stem cells and their potential tissue regeneration potential including pulp dentin, periodontal tissue, and whole tooth regeneration.

Background Physical activity (PA) correlates have not been extensively studied in Hong Kong children. Objective The aim of this study is to assess the validity and reliability of translated scales to measure PA related self-efficacy, enjoyment and social support in Hong Kong Chinese children. Methods Sample 1 (n = 273, aged 8–12 years) was recruited (May–June, 2013) from two primary schools. Confirmatory factor analyses (CFA) were conducted to assess factorial validity. Criterion validity was assessed by correlating measured constructs with self-reported PA. Cronbach's alpha was computed to assess scale internal consistency. The intraclass correlation coefficient (ICC) was performed to assess scale test–retest reliability. Criterion validity was further examined in Sample 2 (n = 84, aged 8–12 years) from a third school by correlating measured constructs with objectively measured PA collected in September 2013 and February 2014. Results The CFA results supported the one-factor structure of the scales. All PA correlates were significantly (p, Highlights • Validity and reliability of translated scales measuring PA correlates were assessed among Hong Kong children. • Confirmatory factory analyses supported the scale factorial validity. • Scale criterion validity was supported by significant correlation between each construct with self-reported PA. • Scale internal consistency and test-rest reliability were all acceptable. • Scale criterion validity (self-efficacy and enjoyment) was further demonstrated with objectively measured physical activity in a smaller sample.

The cooperative output regulation problem of linear multiagent systems was formulated and studied by the distributed observer approach presented in Su and Huang (2012a,b). Since then, several variants and extensions have been proposed, and the technique of the distributed observer has also been applied to such problems as formation, rendezvous, and flocking. In this chapter we first present a more general formulation of the cooperative output regulation problem for linear multiagent systems that includes some existing versions of the cooperative output regulation problem as special cases. Then we describe a more general distributed observer. Finally, we simplify the proof of the main results by more explicitly using the separation principle and the certainty equivalence principle.

We have performed precision measurements of the double-spin virtual-photon asymmetry $A_1$ on the neutron in the deep inelastic scattering regime, using an open-geometry, large-acceptance spectrometer. Our data cover a wide kinematic range $0.277 \leq x \leq 0.548$ at an average $Q^2$ value of 3.078~(GeV/c)$^2$, doubling the available high-precision neutron data in this $x$ range. We have combined our results with world data on proton targets to extract the ratio of polarized-to-unpolarized parton distribution functions for up quarks and for down quarks in the same kinematic range. Our data are consistent with a previous observation of an $A_1^n$ zero crossing near $x=0.5$. We find no evidence of a transition to a positive slope in $(\Delta d + \Delta \bar{d})/(d + \bar{d})$ up to $x=0.548$., Comment: 6 pages, 2 figures, 3 tables. Two typos corrected in Table 3

"" Steady-state long pulse operation of tokamaks requires fully non-inductive current drive, thus an external current drive method. Lower Hybrid Current Drive is recognized as one of the most efficient technique used in the present day tokamaks. Progress of the conceptual design of the LHCD ITER relevant system is reported, as well as critical technology issues. © 2011 Elsevier B.V. All rights reserved.""

This chapter reviews the range of ceramics currently used in skeletal repair and tissue regeneration and covers the bioinert, bioactive and resorbable ceramics, glasses and glass ceramics. The scope of the chapter includes the relationships between microstructure (crystalline and non-crystalline) and properties (mechanical properties, surface properties, biocompatibility and bioactivity). The processing (porous tissue engineering scaffolds and surface modification) of bioceramics is also considered. Based on the stringent requirements for clinical application, prospects for the development of advanced ceramic materials for tissue engineering are highlighted for the future.

Several types of materials have been used in medical devices that rebuild normal functions of a whole or a part of a living structure. The choices of materials have advanced from the bioinert, to the bioactive and the bioresponsive. The interfaces between man-made and biological materials are highly important for a diverse range of applications. The understanding of the structure, bonding and dynamics of the biointerfaces is a prerequisite for the design of new materials with improved biocompatibility. In this chapter, the biomechanical and biochemical compatibilities are discussed with reference to the current concepts, the state-of-the-art development and future challenges. Examples are given from a new generation of metallic alloys, addressing the problems of “stress shielding” of traditional metallic implant materials, to the development of self-assembled drug-deliverable coatings and cancer treatments.

In this chapter, we concentrate on the production of high-quality protein samples for nuclear magnetic resonance (NMR) studies. In particular, we provide an in-depth description of recent advances in the production of NMR samples and their synergistic use with recent advancements in NMR hardware. We describe the protein production platform of the Northeast Structural Genomics Consortium and outline our high-throughput strategies for producing high-quality protein samples for NMR studies. Our strategy is based on the cloning, expression, and purification of 6×-His-tagged proteins using T7-based Escherichia coli systems and isotope enrichment in minimal media. We describe 96-well ligation-independent cloning and analytical expression systems, parallel preparative scale fermentation, and high-throughput purification protocols. The 6×-His affinity tag allows for a similar two-step purification procedure implemented in a parallel high-throughput fashion that routinely results in purity levels sufficient for NMR studies (>97% homogeneity). Using this platform, the protein open reading frames of over 17,500 different targeted proteins (or domains) have been cloned as over 28,000 constructs. Nearly 5000 of these proteins have been purified to homogeneity in tens of milligram quantities (see Summary Statistics, http://nesg.org/statistics.html), resulting in more than 950 new protein structures, including more than 400 NMR structures, deposited in the Protein Data Bank. The Northeast Structural Genomics Consortium pipeline has been effective in producing protein samples of both prokaryotic and eukaryotic origin. Although this chapter describes our entire pipeline for producing isotope-enriched protein samples, it focuses on the major updates introduced during the last 5 years (Phase 2 of the National Institute of General Medical Sciences Protein Structure Initiative). Our advanced automated and/or parallel cloning, expression, purification, and biophysical screening technologies are suitable for implementation in a large individual laboratory or by a small group of collaborating investigators for structural biology, functional proteomics, ligand screening, and structural genomics research.

This chapter discusses the biological responses of various human cells to surface reactive Bioglass®, hydroxyapatite (HA) and their composites for their potential applications in tissue engineering and regenerative medicine. Cytotoxicity and inflammatory response to Bioglass®, HA and substituted HA particles were investigated at first by indirect and direct contact tests using human osteoblast (HOB) and macrophage cell models; the attachment and proliferation of HOB cells in direct contact with nanometre-sized HA (nanoHA) and substituted HA were then compared. It was found that a high concentration of Bioglass® and nanoHA particles can reduce cell viability, but no cytotoxic effect was observed from their biocomposites where these bioactive particles were incorporated into polyethylene or polyhydroxyethylmethacrylate matrix, and a direct bonding between HOB cells and the composite was observed from electron microscopy examination. Release of Si from Bioglass® and the composite was found to increase the proliferation of HOB cells at a certain level. Therefore, incorporation of Si into the structure of HA to formulate silicon substituted HA (SiHA) is an attractive way to control release of Si. The optimum content of Si in nanoSiHA found in the study will be useful for its further applications. © 2009 Woodhead Publishing Limited All rights reserved.

Recent developments provide automated analysis of NMR assignments and three-dimensional (3D) structures of proteins. These approaches are generally applicable to proteins ranging from about 50 to 150 amino acids. In this chapter, we summarize progress by the Northeast Structural Genomics Consortium in standardizing the NMR data collection process for protein structure determination and in building an integrated platform for automated protein NMR structure analysis. Our integrated platform includes the following principal steps: (1) standardized NMR data collection, (2) standardized data processing (including spectral referencing and Fourier transformation), (3) automated peak picking and peak list editing, (4) automated analysis of resonance assignments, (5) automated analysis of NOESY data together with 3D structure determination, and (6) methods for protein structure validation. In particular, the software AutoStructure for automated NOESY data analysis is described in this chapter, together with a discussion of practical considerations for its use in high-throughput structure production efforts. The critical area of data quality assessment has evolved significantly over the past few years and involves evaluation of both intermediate and final peak lists, resonance assignments, and structural information derived from the NMR data. Methods for quality control of each of the major automated analysis steps in our platform are also discussed. Despite significant remaining challenges, when good quality data are available, automated analysis of protein NMR assignments and structures with this platform is both fast and reliable.

Publisher Summary Intestinal epithelial cells compose a barrier that separates the host's internal milieu from the external environment. They have essential role to play in secretory and absorptive processes. Moreover, intestinal epithelial cells can be regarded also as an integral and essential component of the host's innate and acquired immune system. Thus, intestinal epithelial cells constitutively express, or can be induced to express, HLA class II molecules known to be important in antigen presentation classical class I as well as nonclassical HLA class Ib molecules such as CD1d. Intestinal epithelial cells communicate with other mucosal cells via a spectrum of mediators that have both autocrine and paracrine activities. These mediators act on the intestinal epithelial cells themselves, as well as on intraepithelial lymphocytes (IEL) in the paracellular space, and on lymphoid cells, mononuclear phagocytes, neutrophils, mast cells, and eosinophils in the adjacent lamina propria. These latter cells also act as important components of the host's cytokine cascade and, as such, release additional mediators which have further autocrine and paracrine effects on epithelial cells, as well as lymphoid and mononuclear cells in the lamina propria. These cascades of mediator release and mediator activity are finely regulated both to induce and to downregulate appropriate host immune and inflammatory responses at mucosal surfaces.

The kinetics of polymerization of propylene with Et(Ind) 2 ZrCl 2 /MAO catalysts was investigated by monitoring gaseous propylene consumption in a computer-controlled constant pressure reactor system. The effects of [Zr], [Al]/[Zr], temperature and stirring speed on the polymerization were statistically studied. It was found that the polymerization rate reached a maximum at the beginning of the reaction, and gradually decreased with reaction time. The catalyst activity was found to strongly depend on the ratio of [Al]/[Zr]. The existence of two types of active centers with different activity and stability is proposed in an attempt to explain the experimental results.