gebhart/patrepeval huggingface dataset:
Conformational Manifold of α-Aminoisobutyric Acid (Aib) Containing Alanine-Based Tripeptides in Aqueous Solution Explored by Vibrational Spectroscopy, Electronic Circular Dichroism Spectroscopy, and Molecular Dynamics Simulations (2007)

Replacement of the alpha-proton of an alanine residue to generate alpha-aminoisobutyric acid (Aib) in alanine-based oligopeptides favors the formation of a 3(10) helix when the length of the oligopeptide is about four to six residues. This research was aimed at experimentally identifying the structural impact of an individual Aib residue in an alanine context of short peptides in water and Aib's influence on the conformation of nearest-neighbor residues. The amide I band profile of the IR, isotropic and anisotropic Raman, and vibrational circular dichroism (VCD) spectra of Ac-Ala-Ala-Aib-OMe, Ac-Ala-Aib-Ala-OMe, and Ac-Aib-Ala-Ala-OMe were measured and analyzed in terms of different structural models by utilizing an algorithm that exploits the excitonic coupling between amide I' modes. The conformational search was guided by the respective 1H NMR and electronic circular dichroism spectra of the respective peptides, which were also recorded. From these analyses, all peptides adopted multiple conformations. Aib predominantly sampled the right-handed and left-handed 3(10)-helix region and to a minor extent the bridge region between the polyproline (PPII) and the helical regions of the Ramachandran plot. Generally, alanine showed the anticipated PPII propensity, but its conformational equilibrium was shifted towards helical conformations in Ac-Aib-Ala-Ala-OMe, indicating that Aib can induce helical conformations of neighboring residues positioned towards the C-terminal direction of the peptide. An energy landscape exploration by molecular dynamics simulations corroborated the results of the spectroscopic studies. They also revealed the dynamics and pathways of potential conformational transitions of the corresponding Aib residues.
Filter design based on multiple model estimation (2016)

We show that famous filtering algorithms such as Gaussian sum filter (GSF) and particle filter (PF) are derived from the multiple model estimation (MME). Based on the MME, we propose a new filter called particle Gaussian sum filter (PGSF) to overcome the problems of GSF and PF. To realize the algorithm of PGSF, we also show that ensemble Kalman filter (EnKF) asymptotically approaches Gaussian filter (GF) when using sufficiently large ensemble number. The PGSF employing the EnKF achieves higher estimation accuracy than that using the extended Kalman filter (EKF), while the latter approach is much faster in terms of processing time. We compare the proposed filter with several existing filters and demonstrate its effectiveness through a numerical simulation.
Driving the hydrogen economy (2007)

A global "hydrogen economy", in which energy is provided by hydrogen instead of fossil fuels, has long been dreamed of as a way of ending our dependence on coal and oil. In such a world, fuel cells would replace the internal combustion engines in cars and the steam turbines in power stations as the means of turning chemical energy into useful power. Rather than burning carbon-based fuels and therefore releasing carbon dioxide, fuel cells convert the chemical energy of hydrogen directly into electricity, producing only water as a by-product. Furthermore, since a fuel cell is not subject to the same thermodynamic constraints as a heat engine it can be made much more efficient than an internal combustion engine.
180 Long-Term Outcomes of Arthroplasty for Cervical Myelopathy Versus Radiculopathy, and Arthroplasty Versus Arthrodesis for Cervical Myelopathy (2017)

McConnell, Jeffrey MD; Gornet, Matthew F MD; Riew, K Daniel MD; Lanman, Todd H MD, FACS; Burkus, J Kenneth MD; Hodges, Scott DO; Dryer, Randall
Characterization of the thiazide-sensitive Na+-Cl−cotransporter: a new model for ions and diuretics interaction (2000)

The thiazide-sensitive Na(+)-Cl(-) cotransporter (TSC) is the major pathway for salt reabsorption in the apical membrane of the mammalian distal convoluted tubule. When expressed in Xenopus laevis oocytes, rat TSC exhibits high affinity for both cotransported ions, with the Michaelis-Menten constant (K(m)) for Na(+) of 7.6 +/- 1.6 mM and for Cl(-) of 6.3 +/- 1.1 mM, and Hill coefficients for Na(+) and Cl(-) consistent with electroneutrality. The affinities of both Na(+) and Cl(-) were increased by increasing concentration of the counterion. The IC(50) values for thiazides were affected by both extracellular Na(+) and Cl(-). The higher the Na(+) or Cl(-) concentration, the lower the inhibitory effect of thiazides. Finally, rTSC function is affected by extracellular osmolarity. We propose a transport model featuring a random order of binding in which the binding of each ion facilitates the binding of the counterion. Both ion binding sites alter thiazide-mediated inhibition of transport, indicating that the thiazide-binding site is either shared or modified by both Na(+) and Cl(-).
Heat Build-Up and Rolling Resistance Analysis of a Solid Tire: Experimental Observation and Numerical Simulation with Thermo-Mechanical Coupling Method (2022)

The hysteresis of rubber materials due to deformation and viscoelasticity is the main reason for the heat build-up (HBU) and rolling resistance (RR) of the rolling tire. It is important to realize the high precision prediction of HBU and RR of tire for the optimal design of high-performance fuel-saving tire. In this work, a thermo-mechanical coupling method based on Endurica and Abaqus co-simulation was used to predict the steady-state temperature distribution and RR of three finite element models (Lagrangian-Eulerian model, Lagrangian model, and Plane Strain model) of the solid tires under different loads and rotating speeds. The simulation results were compared with the experimental results. The Kraus self-heating model was utilized in the thermo-mechanical coupling method, which realized the quantitative relationship between the dynamic loss modulus of rubber and the loading conditions (temperature, strain, and strain rate). Special attention was paid to the determination of the material parameters in the Kraus self-heating model. The comparison between simulation results and experimental results shows that the Lagrangian model had the highest prediction accuracy, and the average prediction errors of the steady-state surface temperature and RR under three loading conditions were 3.4% and 7.9%, respectively. The Lagrangian-Eulerian model came in the second with average errors of 9.7% and 11.1%, respectively. The Plane Strain model had the worst prediction accuracy, with the average errors of 21.4% and 44.6%, respectively. In terms of the simulation time, the Plane Strain model had the lowest cost, and the average calculation time was 1143 s. The Lagrangian-Eulerian model took the second place, with an average calculation time of 2621 s. The Lagrangian model had the highest computation cost, with an average time of 5597 s. The comparison between the simulation results and the experimental results verified the effectiveness of the thermo-mechanical coupling analysis method. The methods of three finite element models of the solid tires in this work can provide some reference for the optimization design of elastomeric components (Lagrangian model), pneumatic tires (Lagrangian-Eulerian model), and non-pneumatic tires (Plane Strain model).
Assemblies of aziridinemethanols (2001)

Two novel long chain aziridinemethanols (1b, c) are described and their molecular organisation in the bulk and self-assembling properties in aqueous dispersion are reported. The orientation of the NH hydrogen of the aziridinealcohol moiety in 1b can be changed by introducing a methyl substituent into the rigid three-membered ring (1c), leading to a change in the hydrogen bonding pattern interconnecting these molecules. This change in configuration leads to marked differences in the ordering of these molecules in the solid state. Although compounds 1b and 1c both form highly organised structures in aqueous media and on the air–water interface, noteworthy differences are observed. Compound 1c yields left-handed helical ribbons whereas no chiral aggregates are found for 1b. However, the addition of 2-acetoxybenzoic acid (aspirin) to an aqueous dispersion of 1b leads to the generation of both left- and right-handed helical structures. Under these conditions a reaction had taken place that was specific for the ortho-isomer of acetoxybenzoic acid.
ChemInform Abstract: Facile and Convenient Syntheses of Quinones from Phenols. (1989)

Abstract The dihydroxybenzenes(naphthalenes) (I) and (III) are oxidized with hydrogen peroxide in the presence of iodine and conc.
Combining hidden Markov models for comparing the dynamics of multiple sleep electroencephalograms (2013)

In this manuscript, we consider methods for the analysis of populations of electroencephalogram signals during sleep for the study of sleep disorders using hidden Markov models (HMMs). Notably, we propose an easily implemented method for simultaneously modeling multiple time series that involve large amounts of data. We apply these methods to study sleep-disordered breathing (SDB) in the Sleep Heart Health Study (SHHS), a landmark study of SDB and cardiovascular consequences. We use the entire, longitudinally collected, SHHS cohort to develop HMM population parameters, which we then apply to obtain subject-specific Markovian predictions. From these predictions, we create several indices of interest, such as transition frequencies between latent states. Our HMM analysis of electroencephalogram signals uncovers interesting findings regarding differences in brain activity during sleep between those with and without SDB. These findings include stability of the percent time spent in HMM latent states across matched diseased and non-diseased groups and differences in the rate of transitioning.
Time-Resolved IR Studies of 4-Diazo-3-isochromanone:  Direct Kinetic Evidence for a Non-Carbene Route to Ketene (2000)

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTTime-Resolved IR Studies of 4-Diazo-3-isochromanone: Direct Kinetic Evidence for a Non-Carbene Route to KeteneYuhong Wang and John P. ToscanoView Author Information Department of Chemistry, Johns Hopkins University 3400 North Charles Street, Baltimore, Maryland 21218 Cite this: J. Am. Chem. Soc. 2000, 122, 18, 4512–4513Publication Date (Web):April 25, 2000Publication History Received21 October 1999Revised18 January 2000Published online25 April 2000Published inissue 1 May 2000https://doi.org/10.1021/ja9937775Copyright © 2000 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views414Altmetric-Citations20LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (58 KB) Get e-AlertsSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Alcohols,Carbene compounds,Conformation,Photodissociation,Rearrangement Get e-Alerts
Packet Scheduling (2007)

This chapter contains sections titled: Transmission Control Protocol (TCP) Round Trip Time User-specific Packet Scheduling Cell-specific Packet Scheduling Packet Data System Performance Packet Data Application Performance References
Supplementary Table 1 from A Highly Potent and Specific MET Therapeutic Protein Antagonist with Both Ligand-Dependent and Ligand-Independent Activity (2023)

&lt;p&gt;PDF - 53KB, Demonstration of benign immunogenicity profile of PRS-110 in ex vivo PBMC model&lt;/p&gt;
Congenital Uterine Malformation by Experts (CUME): better criteria for distinguishing between normal/arcuate and septate uterus? (2017)

The suggested ESHRE-ESGE cut-off value overestimates the prevalence of septate uterus while that of ASRM underestimates this prevalence, leaving in the gray-zone most of the uteri that experts considered as septate. We recommend considering indentation depth ≥ 10 mm as septate, since the measurement is simple and reliable and this criterion is in agreement with expert opinion. Copyright © 2017 ISUOG. Published by John Wiley & Sons Ltd.
Geo6D: Geometric Constraints Learning for 6D Pose Estimation (2022)

Numerous 6D pose estimation methods have been proposed that employ end-to-end regression to directly estimate the target pose parameters. Since the visible features of objects are implicitly influenced by their poses, the network allows inferring the pose by analyzing the differences in features in the visible region. However, due to the unpredictable and unrestricted range of pose variations, the implicitly learned visible feature-pose constraints are insufficiently covered by the training samples, making the network vulnerable to unseen object poses. To tackle these challenges, we proposed a novel geometric constraints learning approach called Geo6D for direct regression 6D pose estimation methods. It introduces a pose transformation formula expressed in relative offset representation, which is leveraged as geometric constraints to reconstruct the input and output targets of the network. These reconstructed data enable the network to estimate the pose based on explicit geometric constraints and relative offset representation mitigates the issue of the pose distribution gap. Extensive experimental results show that when equipped with Geo6D, the direct 6D methods achieve state-of-the-art performance on multiple datasets and demonstrate significant effectiveness, even with only 10% amount of data.
Effect of the Cell Count on Geometrical, Mechanical, and Thermal Properties of Hierarchical‐Porous Reticulated Copper Foams from a Combination of Sponge Replication and Freeze‐Drying Techniques (2022)

Copper foams are manufactured from polyurethane template foams with a cell size of 10 and 30 ppi using two techniques: Sponge replication and a combination of sponge replication with additional freezing steps to obtain lamellar strut pores. The total porosity of foams is ≈93% with and ≈87% without additional freezing, respectively. The foams possess randomly oriented lamellar pores with a thickness of 40–56 μm. The thickness of the material lamellae is 72–80 μm. The specific surface area is increased by the additional lamellar pores; this value ranges from 24 to 42 cm 2 g −1 for the 10 ppi templated foams. The influence of the cell size of the template foams and the lamellar pores within the struts on the (strut) porosity, the mechanical properties and the thermal conductivity is investigated.
Techniques for optical demultiplexing in high bit rate communication systems (1995)

Five standard configurations for optical demultiplexing of optical time domain multiplexed signals are compared. In terms of component usage and strobe signal requirements they are surprisingly equivalent. Both fiber loop and Mach-Zehnder configurations are studied. Fiber rings yield good stability, while configurations based on fiber Mach-Zehnder interferometers, in return, offer the possibility of add/drop demultiplexing. A new Mach-Zehnder configuration is proposed, which requires less optical components, only one strobe signal and has no optical losses (except from excess losses in couplers and splices). The sensitivity to power levels, fiber attenuation, signal and strobe wavelengths, etc., are analyzed and a preliminary design for a 100 to 5/spl times/20 Gb/s demultiplexer is suggested.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Not Really There (2015)

We conducted a study that compared basic video conferencing, emergent kinetic video-conferencing techniques, and face-to-face meetings. Remote and co-located participants worked together in groups of three. We show, in agreement with prior literature, the strong adverse impact of being remote on participation levels. We also show that local and remote participants perceived differently their own contributions and others'. Local participants exhibited significantly more overlapping talk with remote participants who used an embodied proxy, than with remote participants in basic-video conferencing (and at a rate similar to overlapping speech for co-located groups). We describe differences in how the technologies were used to follow conversation. Our findings indicate that while the kinetic embodied technology increased local participants' perceived presence of remote teammates, it did not enhance remote participants' own sense of telepresence. We discuss our findings in the context of theories of agency and presence, and discuss how these findings extend our understanding of the promise and limitations of embodied video-conferencing solutions.
ELD NiB for microbumps passivation and wirebonding (2020)

In this paper the role of electroless NiB as capping layer for the microbumps in preventing oxidation and improving the solder wetting and wirebonding is discussed. Surface properties of such a layer is analyzed by XPS analysis technique and the mechanical properties such as modulus and hardness are studied using nanoindentation tool. Deposition quality of NiB is investigated using TEM and EDX mapping and at the end the electrical data and cross section SEM images of the stacked samples are discussed when using H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> plasma cleaning and capping layers for both pre-applied under fill and wafer level UF.
Selective increase in CO 2 electroreduction activity at grain-boundary surface terminations (2017)

Altering a material's catalytic properties requires identifying structural features that give rise to active surfaces. Grain boundaries create strained regions in polycrystalline materials by stabilizing dislocations and may provide a way to create high-energy surfaces for catalysis that are kinetically trapped. Although grain-boundary density has previously been correlated with catalytic activity for some reactions, direct evidence that grain boundaries create surfaces with enhanced activity is lacking. We used a combination of bulk electrochemical measurements and scanning electrochemical cell microscopy with submicrometer resolution to show that grain-boundary surface terminations in gold electrodes are more active than grain surfaces for electrochemical carbon dioxide (CO<sub>2</sub>) reduction to carbon monoxide (CO) but not for the competing hydrogen (H<sub>2</sub>) evolution reaction. The catalytic footprint of the grain boundary is commensurate with its dislocation-induced strain field, providing a strategy for broader exploitation of grain-boundary effects in heterogeneous catalysis.
Optical propulsion and sorting of microparticles on silicon nitride strip waveguides (2014)

This paper describes the direct implementation of the sorting of differently sized glass particles on the surface of silicon nitride strip waveguides due to different propulsion speeds that can be controlled by varying the optical input power. The high refractive index contrast (Δn ~0.52 as compared to silicon oxide) allows for strong light confinement in waveguides of sub-micron thickness (180nm). The use of a tapered fiber increases coupling efficiency and allows us to achieve a guided power of 24mW with 320mW of input power.
A Prospective Comparative Study of 2 Minimally Invasive Decompression Procedures for Lumbar Spinal Canal Stenosis (2013)

3.
Culture substrate-associated YAP inactivation underlies chondrogenic differentiation of human induced pluripotent stem cells (2020)

Human induced pluripotent stem cells (hiPSCs) are a promising cell source for the creation of cartilage to treat articular cartilage damage. The molecular mechanisms that translate culture conditions to the chondrogenic differentiation of hiPSCs remain to be analyzed. To analyze the effects of culture substrates, we chondrogenically differentiated hiPSCs on Matrigel or laminin 511-E8 while holding the composition of the chondrogenic medium constant. Cartilage was formed from hiPSCs on Matrigel, but not on laminin 511-E8. On Matrigel, the hiPSCs were round and yes-associated protein (YAP) was inactive. In contrast, on laminin 511-E8, the hiPSCs were flat and YAP was active. Treating the laminin 511-E8 hiPSCs in a bioreactor caused cell aggregates, in which the cells were round and YAP was inactive. Subsequent culture of the aggregates in chondrogenic medium resulted in cartilage formation. Transient knockdown of YAP in hiPSCs around the start of chondrogenic differentiation successfully formed cartilage on laminin 511-E8, suggesting that the activation of YAP is responsible for the failure of cartilage formation from hiPSCs on laminin 511-E8. Consistently, the addition of YAP inhibitors to laminin 511-E8 hiPSCs caused partial cartilage formation. This study contributes to identifying the molecules that mediate the effects of culture substrates on the chondrogenic differentiation of hiPSCs as well as to developing clinically applicable chondrogenic differentiation methods.
Multi-domain simulation of transient junction temperatures and resulting stress-strain behavior of power switches for long-term mission profiles (2008)

For lifetime estimation of power converters in traction applications, one method is to calculate numerically the stress-strain hysteresis curves of the interfaces silicon-solder-DCB and/or DCB-solder-baseplate inside the power modules. This can only be achieved if the transient junction temperatures in these layers are known for a defined mission-profile. Therefore, one has to couple circuit simulation with thermal simulation and stress-strain computation. The second challenge of this problem is to perform this transient simulation taking into account switching losses in the mus-range for mission profiles over a couple of minutes. In this paper we employ a new multi-domain simulation software to achieve results with reasonable computational effort.
Dynamic OFDMA Resource Allocation for QoS Guarantee and System Optimization of Best Effort and Non Real-time Traffic (2009)

To achieve the requirement of high data rate, low latency, user fairness for next generation wireless networks, proper designing of cross-layer optimized dynamic resource allocation algorithm is prerequisite. In this paper, we propose a dynamic resource allocation scheme in Orthogonal Frequency Division Multiple Access (OFDMA) systems to optimize the non real-time (NRT) traffic, which requires allocation of minimum quantum of data within a predefined time that does not incur packet loss. Most existing and proposed works on resource allocation schemes focused on traffic consisting of delay constraint real-time (RT) or delay-tolerant (NRT, Best-Effort (BE)) applications in a single scheme. In this work, we investigate the resource allocation problem in heterogeneous multiuser OFDMA system with the objective of optimizing the aggregate data delivery of NRT and BE traffic to maximize the overall system performance, by exploiting the inherent time-diversity gain in mobile wireless environment for delay-tolerant applications. Simulation results show that the proposed algorithm greatly enhances the system capacity, when compared to traditional proportional fair resource allocation algorithm.