gebhart/patrepeval huggingface dataset:
A DFT Chemical Descriptor to Predict the Selectivity in α-Olefins in the Catalytic Metallacyclic Oligomerization Reaction of Ethylene According to the (Hemi)labile Ligand Coordinating to Titanium (2008)

Density functional theory (B3LYP functional) has been applied to investigate the role of hemilabile ligands composed of a cyclopentadienyl group tethered to a pendent R-group, which are used in titanium-based catalysts to selectively trimerize ethylene into 1-hexene. In order to fairly compare the influence of the R-group on the reaction outcome, it was assumed in this study that, independent of the nature of the R-group, the catalyst enters the metallacyclic mechanistic pathway. The identified competing reaction pathways that determine the selectivity, i.e., the opening of the seven-membered ring to yield 1-hexene and the uptake and insertion reaction of the fourth ethylene molecule, have been explored for 15 catalytic systems. The theoretical results show that the nature of the R-group hardly affects the energy barrier for the ring-opening reaction. On the other hand, the uptake and insertion reaction of the fourth ethylene molecule is favored by more labile R-groups. The lability of the R-group has been quantified by calculating the dissociation energy, using isodesmic reactions. Correlating the barrier heights of the two competing reaction pathways and taking into account the experimental data of catalysts 1−7, a model is derived that predicts the formation of 1-hexene when the dissociation energy is larger than 15 kcal/mol. In the case of smaller dissociation energies, multiple insertion reactions are likely to occur. Next, the model has been applied to six catalysts (8−13) and found to correctly predict the major product for five catalysts. The dissociation energy thus appears as a relevant DFT chemical descriptor for the research of new analogous hemilabile ligands. For catalysts 14 and 15, where no experimental data are available, the model foresees respectively 1-hexene and longer oligomers, resulting from multiple insertion reactions, as the major products.
A Microfluidic Device for Preparing Next Generation DNA Sequencing Libraries and for Automating Other Laboratory Protocols That Require One or More Column Chromatography Steps (2013)

Library preparation for next-generation DNA sequencing (NGS) remains a key bottleneck in the sequencing process which can be relieved through improved automation and miniaturization. We describe a microfluidic device for automating laboratory protocols that require one or more column chromatography steps and demonstrate its utility for preparing Next Generation sequencing libraries for the Illumina and Ion Torrent platforms. Sixteen different libraries can be generated simultaneously with significantly reduced reagent cost and hands-on time compared to manual library preparation. Using an appropriate column matrix and buffers, size selection can be performed on-chip following end-repair, dA tailing, and linker ligation, so that the libraries eluted from the chip are ready for sequencing. The core architecture of the device ensures uniform, reproducible column packing without user supervision and accommodates multiple routine protocol steps in any sequence, such as reagent mixing and incubation; column packing, loading, washing, elution, and regeneration; capture of eluted material for use as a substrate in a later step of the protocol; and removal of one column matrix so that two or more column matrices with different functional properties can be used in the same protocol. The microfluidic device is mounted on a plastic carrier so that reagents and products can be aliquoted and recovered using standard pipettors and liquid handling robots. The carrier-mounted device is operated using a benchtop controller that seals and operates the device with programmable temperature control, eliminating any requirement for the user to manually attach tubing or connectors. In addition to NGS library preparation, the device and controller are suitable for automating other time-consuming and error-prone laboratory protocols requiring column chromatography steps, such as chromatin immunoprecipitation.
Time of arrival estimation of narrowband TDMA signals for mobile positioning (2002)

Positioning services in cellular systems have received increased attention recently. Solutions of the positioning problem requiring time and angle of arrival measurements have been proposed. The problem of estimating the time of arrival (TOA) of the line of sight (LOS) component of narrowband digital signals in a multipath environment is addressed. A TOA estimation algorithm designed to operate under low SNR is proposed. The algorithm combats multipath propagation by exploiting the fading statistics of the mobile channel. Performance of the algorithm obtained through simulations using COST propagation models for GSM and IS-136 signals is shown and is promising.
Acid-base interactions in wetting (1991)

Abstract The study of the ionization of carboxylic acid groups at the interface between organic solids and water demonstrates broad similarities to the ionizations of these groups in homogeneous aqueous solution, but with important systematic differences. Creation of a charged group from a neutral one by protonation or deprotonation (whether -NH3 + from -NH2 or -CO2- from -CO2H) at the interface between surface-functionalized polyethylene and water is more difficult than that in homogeneous aqueous solution. This difference is probably related to the low effective dielectric constant of the interface (ε≃9) relative to water (ε≃80). It is not known to what extent this difference in ε (and in other properties of the interphase, considered as a thin solvent phase) is reflected in the stability of the organic ions relative to their neutral forms in the interphase and in solution, and to what extent in differences in the concentration of H+ and OH- in the interphase and in solution. Self-assembled monolayers (SAMs)-especially of terminally functionalized alkanethiols (HS(CH2)nX) adsorbed on gold-provide model systems with relatively well-ordered structures that are useful in establishing the fundamentals of ionization of protic acids and bases at the interface between organic solids and water. These systems, coupled with new analytical methods such as photoacoustic calorimetry (PAC) and contact angle titration, may make it possible to disentangle some of the complex puzzles presented by proton-transfer reactions in the environment of the organic solid-water interphase. Keywords: Contact angle titrationphotoacoustic calorimetrypolyethylene carboxylic acidcontact anglepolymer surfaceswettingself-assembled monolayers
Quality Control of Hot Mix Asphalt Pavement Compaction Using In-Place Density Measurements from a Low-Activity Nuclear Gauge (2021)

Nuclear gauges are used for measuring in-place density during the asphalt compaction process. Gauge measurements are used to establish roller patterns, detect changes in the mix and process adjustments, and control density. These gauges use radioactive sources and thus require licensing for ownership and use, gauge operator training, personal dosimetry, and special gauge storage. These regulatory requirements have become a burden to some users. Recently, a low-activity nuclear gauge specifically designed for asphalt and soil density measurements was exempted from these nuclear regulatory requirements in the United States. This gauge has a low-activity gamma-ray source and uses advanced detector technologies and algorithms. To measure asphalt density, this new gauge uses the backscatter mode, which is a non-destructive method. This paper presents the design features and measurement principles incorporated in this new gauge for asphalt density measurements. Also included are the results of laboratory testing to determine the precision, sensitivity, accuracy, depth of measurement, and temperature dependence, and field testing as compared with a conventional nuclear density gauge.
Segmental migration of trunk neural crest: time-lapse analysis reveals a role for PNA-binding molecules (1995)

Trunk neural crest cells migrate through the somites in a striking segmental fashion, entering the rostral but not caudal sclerotome, via cues intrinsic to the somites. Attempts to define the molecular bases of these cues have been hampered by the lack of an accessible assay system. To examine trunk neural crest migration over time and to perturb candidate guiding molecules, we have developed a novel explant preparation. Here, we demonstrate that trunk regions of the chicken embryo, placed in explant culture, continue to develop apparently normally for 2 days. Neural crest cells, recognized by prelabeling with DiI or by poststaining with the HNK-1 antibody, migrate in the somites of the explants in their typical segmental pattern. Furthermore, this paradigm allows us to follow trunk neural crest migration in situ for the first time using low-light-level videomicroscopy. The trajectories of individual neural crest cells were often complex, with cells migrating in an episodic mode encompassing forward, backward and lateral movements. Frequently, neural crest cells migrated in close-knit groups of 2-4 cells, moving at mean rates of migration of 10-14 microns/hour. Treatment of the explants with the lectin peanut agglutinin (PNA) both slowed the rate and altered the pattern of neural crest migration. Neural crest cells entered both the rostral and caudal halves of the sclerotome with mean rates of migration ranging from 6 to 13 microns/hour. These results suggest that peanut agglutinin-binding molecules are required for the segmental patterning of trunk neural crest migration. Because this approach permits neural crest migration to be both observed and perturbed, it offers the promise of more direct assays of the factors that influence neural crest development.
1SP6-01 Visualization of COPII vesicle formation process reconstituted in the artifical lipid bilayer.(1SP6 Membrane transformers!! : The combine and the dissociation to change the shape of biomembrane,The 47th Annual Meeting of the Biophysical Society of Japan) (2009)

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Magnetic spin-orbit interaction of light steers Bloch surface waves (2018)

META18, the 9th International Conference on Metamaterials, Photonic Crystals and Plasmonics will cover the entire scope of Electromagnetic & Nanophotonic Complex Materials, including metamaterials, photonic crystals and plasmonics
<title>An indentation method for creating reproducible proof-stress level flaws in commercial optical fiber</title> (2002)

A technique was developed for obtaining proof-stress level flaws in commercial optical fiber with low variability in strength. It involves a novel method for stabilizing and protecting the round fiber prior to indentation. Indentation was performed in an automated fashion using a nano-indenter equipped with a cube-corner indenter. A Weibull modulus of 50 was achieved with a value of 100 over the lower portion of the distribution. This method will be useful in static fatigue testing of fiber with proof test level flaws.
ChemInform Abstract: Practical and Broadly Applicable Catalytic Enantioselective Additions of Allyl‐B(pin) Compounds to Ketones and α‐Ketoesters. (2016)

Abstract Using small‐molecule aminophenol‐based chiral catalysts, easy‐to‐handle allyl‐B(pin) compounds are added to both acyclic and cyclic ketones as well as to α‐ketoesters.
Tetraaquabis{μ2-2,7-bis[(2,6-diisopropylphenyl)iminomethyl]naphthalene-1,8-diolato}di-μ3-hydroxido-di-μ2-hydroxido-bis(trimethylphosphine oxide)tetranickel(II)–trimethylphosphine oxide–diethyl ether–water (1/2/2/2) (2010)

The title complex, [Ni(4)(C(36)H(40)N(2)O(2))(2)(OH)(4)(C(3)H(9)OP)(2)(H(2)O)(4)]·2C(4)H(10)O·2C(3)H(9)OP·2H(2)O, is centrosymmetric with a central core that can be described as a defect double cubane. The four metal ions in the cluster are held together by four bridging hydroxide groups. Each Ni(II) atom adopts a distorted octa-hedral geometry.
Early modifications of cardiac function in preterm neonates using speckle tracking echocardiography (2018)

Echocardiographic assessment of myocardial deformation parameters is feasible in preterm infants. Our data suggest that the maturational process of the myocardium is due to the development of the epicardial layer after birth, which allows the acquisition of the twist.
Engineering Self-Organizing Referral Networks for Trustworthy Service Selection (2005)

Developing, maintaining, and disseminating trust in open, dynamic environments is crucial. We propose self-organizing referral networks as a means for establishing trust in such environments. A referral network consists of autonomous agents that model others in terms of their trustworthiness and disseminate information on others' trustworthiness. An agent may request a service from another; a requested agent may provide the requested service or give a referral to someone else. Possibly with its user's help, each agent can judge the quality of service obtained. Importantly, the agents autonomously and adaptively decide with whom to interact and choose what referrals to issue, if any. The choices of the agents lead to the evolution of the referral network, whereby the agents move closer to those that they trust. This paper studies the guidelines for engineering self-organizing referral networks. To do so, it investigates properties of referral networks via simulation. By controlling the actions of the agents appropriately, different referral networks can be generated. This paper first shows how the exchange of referrals affects service selection. It identifies interesting network topologies and shows under which conditions these topologies emerge. Based on the link structure of the network, some agents can be identified as authorities. Finally, the paper shows how and when such authorities emerge. The observations of these simulations are then formulated into design recommendations that can be used to develop robust, self-organizing referral networks.
Quasicontinuum Analysis of Alumina/Copper Interface (2005)

The atomistic scale tensile test of mixed O-terminated and Al-terminated α-Al2O3(0001)/Cu(111) interface has been examined by quasicontinuum method. The quasicontinuum method has been developed for large-scale atomistic simulations. In this approach, the number of degrees of freedom is much reduced in comparison to molecular dynamics simulation, so that the computational time is significantly decreased. In the Al2O3/Cu interface, the O-terminated interface has quite large adhesive energy, and the Cu-O bond is much stronger than the Cu-Cu bond. The Al-terminated interface has quite a small adhesive energy, and the Cu-Al bond is much smaller than the Cu-Cu bond. In the tensile test, adhesive energy of mixed interface of O-terminated and Al-terminated is the mean value of that of O-terminated interface and Al-terminated interface.
Myogenic conversion of mammalian fibroblasts induced by differentiating muscle cells (1995)

Somite-derived skeletal myoblasts are supposed to be the sole source of muscle fibre nuclei during pre- and postnatal development, but evidence is accumulating for unorthodox contributions to muscle fibre nuclei from other cell types. For example, in tissue culture, fibroblasts can fuse with dysgenic myoblasts and restore correct membrane function. We report here the results of a series of experiments investigating this phenomenon and its possible mechanism. 10T1/2 cells, infected with a replication defective retrovirus encoding the bacterial enzyme beta-galactosidase, fused to form beta-galactosidase positive, differentiated myotubes when cocultured with differentiating uninfected C2C12 or primary myogenic cells, but this did not occur when they were cocultured with other cells such as 3T3 fibroblasts or PC12 pheochromocytoma cells. Myogenic conversion ranged from 1 to 10% of the 10T1/2 cell population and required close cell interaction between the different cells types: it was not induced by conditioned medium or extracellular matrix deposited by C2C12 cells. Myogenic conversion was also observed in vivo, after injection of similarly infected 10T1/2 cells into regenerating muscle. Conversion was seen also after coculture of uninfected 10T1/2 cells with primary chick myoblasts, thus demonstrating that it was not dependent upon viral infection and that there is no species or class barrier in this phenomenon. Primary fibroblasts, isolated from different organs of transgenic mice carrying a Lac Z marker under the control of a muscle-specific promoter, restricting beta-galactosidase expression to striated muscle cells, also underwent myogenic conversion, when cocultured with C2C12 myoblasts.(ABSTRACT TRUNCATED AT 250 WORDS)
Angiotensin II Induces Myocyte Enhancer Factor 2- and Calcineurin/Nuclear Factor of Activated T Cell-Dependent Transcriptional Activation in Vascular Myocytes (2002)

It is well known that angiotensin II (Ang II) is implicated in the phenotypic modulation and hypertrophy of vascular smooth muscle cells (VSMCs). To study the mechanisms by which Ang II contributes to the pathological changes of VSMCs, we examined whether Ang II stimulated myocyte enhancer factor 2 (MEF2)- and calcineurin/nuclear factor of activated T cell (NFAT)-dependent transcriptional activation of genes in VSMCs. Ang II increased the DNA binding activity of MEF2A and its expression at the protein level. Ang II induced c-jun promoter activity, and this increase was inhibited by dominant-negative mutants of MEF2A and mitogen-activated protein kinase kinase 6 but not by calcineurin inhibitors. Ang II stimulated NFAT DNA binding activity and NFAT-dependent gene transcription, and these effects of Ang II were inhibited by calcineurin inhibitors. Furthermore, Ang II induced the promoter activity of the nonmuscle-type myosin heavy chain B gene, which we used as a marker of the dedifferentiated state of VSMCs, and this increase was inhibited by calcineurin inhibitors but not by the dominant-negative mutants of MEF2A or mitogen-activated protein kinase kinase 6. Finally, Ang II increased protein synthesis, and this increase was inhibited by infection with an adenovirus construct that expresses the dominant-negative mutant of MEF2A but not by calcineurin inhibitors. These results suggest that Ang II stimulates the MEF2- and calcineurin/NFAT-dependent pathways and that these pathways have distinct roles in VSMCs.
Photonic remoting of the receiver of an ultra-high dynamic range radar (2002)

Fiber optic links have been designed and built to remote the antenna of a radar with ultra-high dynamic range, the AN/SPQ-9B ADM. The links tested successfully in receive configuration without significantly degrading the radar's 83 dB SNR. These results demonstrate that photonic technology can meet the phase noise requirements for remoting modern radars.
Scalable 0.35 V to 1.2 V SRAM Bitcell Design From 65 nm CMOS to 28 nm FDSOI (2014)

This work presents a method for the design and characterization of a scalable ultra-wide voltage range static random access memory using an optimized 10 transistor bitcell, targeting minimum operating voltage, high yield and a Silicon-CAD correlation within 5%. The method is based on both static and dynamic metrics. The experimental validation was first performed in BULK CMOS 65 nm on a 32 kb memory array, then applied in 28 nm FDSOI on a 64 kb memory array. Over 10× energy reduction is achieved across a wide voltage range, i.e., from 1.2 V to 0.35 V while achieving high speed at the nominal voltage, i.e., 485 MHz in 65 nm BULK and 1 GHz in 28 nm FDSOI.
Activity of pomalidomide in patients with immunoglobulin light-chain amyloidosis (2012)

Immunoglobulin light-chain (AL) amyloidosis is a rare, incurable plasma cell disorder. Its therapy has benefited immensely from the expanding drug armamentarium available for multiple myeloma. Pomalidomide in combination with weekly dexamethasone (Pom/dex) is active among patients with relapsed myeloma. In the present study, we explored the Pom/dex combination in patients with previously treated AL. Patients were eligible for this prospective phase 2 trial if they had had at least one prior regimen and if they had reasonably preserved organ function. Patients were treated with oral Pom/dex. Thirty-three patients were enrolled. The median age was 66 years. Median time from diagnosis to on-study was 37 months. Eighty-two percent had cardiac involvement. The confirmed hematologic response rate was 48%, with a median time to response of 1.9 months. Organ improvement was documented in 5 patients. The median overall and progression-free survival rates were 28 and 14 months, respectively; the 1-year overall and progression-free survival rates were 76% and 59%, respectively. There was a discordance between the hematologic response and the N-terminal pro-brain natriuretic peptide response. The most common grade 3-5 adverse events, regardless of attribution, were neutropenia and fatigue. We conclude that pomalidomide appears to be a valuable drug covering an unmet clinical need in patients with previously treated AL. The trial is registered at www.clinicaltrials.gov as NCT00558896.
NIST recommended practice guide (2004)

The persistent miniaturization or rescaling of the integrated chip (IC) has led to interconnect dimensions that continue to decrease in physical size.This, coupled with the drive for reduced IC operating voltages and decreased signal-to-noise ratio in the device circuitry, requires new interlayer dielectric (ILD) materials to construct smaller and more efficient devices.At the current 90 nm technology node, fully dense organosilicate materials provide sufficient ILD shielding within the interconnect junctions.However, for the ensuing 65 nm and 45 nm technology nodes, porous ILD materials are needed to further decrease the dielectric constant k of these critical insulating layers.The challenge to generate sufficient porosity in sub-100 nm features and films is a significant one.Increased levels of porosity are extremely effective at decreasing k, but high levels of porosity deteriorate the mechanical properties of the ILD structures.Mechanically robust ILD materials are needed to withstand the stresses and strains inherent to the chemical-mechanical polishing steps in IC fabrication.To optimize both k and the mechanical integrity of sub-100 nm ILD structures requires exacting control over the pore formation processes.The first step in achieving this goal is to develop highly sensitive metrologies that can accurately quantify the structural attributes of these nanoporous materials.This Recommended Practice Guide is dedicated to developing X-ray Porosimetry (XRP) as such a metrology.It is envisaged that XRP will facilitate the development of nanoporous ILD materials, help optimize processing and fabrication parameters, and serve as a valuable quality control metrology.Looking beyond CMOS technology, many attributes of XRP will be useful for the general characterization of nanoporous materials which are becoming increasingly important in many emerging fields of nanotechnology.
The Navier-Stokes existence and smoothness poser in Rn (2015)

In this paper we describe a method to derive solutions of the Navier-Stokes equations for non-stationary initial value problems in Rn. We show that for a given smooth solenoidal initial velocity vector field there exist smooth spatially periodic solutions of pressure and velocity in $\mathbb{R}^n$. An illustrative example in $\mathbb{R}^3$ is presented.