gebhart/patrepeval huggingface dataset:
Shifted-contour auxiliary-field Monte Carlo for molecular electronic structure (1998)

The shifted-contour auxiliary-field Monte Carlo (SCAFMC) approach has been recently developed by Rom, Charutz and Neuhauser as an extension of the auxiliary-field Monte Carlo (AFMC) method. AFMC replaces the difficult fully interacting electrons problem by an ensemble of simpler problems where the electrons interact with a fluctuating electric field but not with each other. SCAFMC is based on shifting the auxiliary-field contour of integration to pass through the (imaginary) stationary point, leading to numerical stability at long propagation times. The new approach converges to the full CI energy in electronic structure calculations (both ground and low-lying excited states). Here we expand the application of SCAFMC from atomic to molecular problems. First, we calculate ground-state energies of a highly correlated transition-metal system (Cr2) with a moderate (12 orbitals) active space size, and demonstrate that SCAFMC is able to extract the energies accurately. In addition, we use SCAFMC to calculate a C–C bond-stretch energy in ethane with complete active spaces of up to 28 orbitals.
Turbo decoding of convolutional codes in differentially modulated OFDM transmission systems (2003)

Orthogonal frequency division multiplexing (OFDM) is applied in systems which transmit a high data rate over multipath fading channels in order to avoid the effort of a channel estimation and equalization required in a single carrier system. If differential modulation is applied no channel equalization is necessary at all. In this paper, the combination of differential modulation and convolutional channel coding is re-interpreted as a concatenated code in which the differential modulation is the inner code and the convolutional code the outer code. Turbo decoding is applied at the receiver resulting in a signal-to-noise ratio (SNR) gain of more than 3.5 dB compared with classical soft decision Viterbi decoding.
Electronic Characteristics of Arylated Tetraethynylethenes:  A Cooperative Computational and Electrochemical Investigation (1997)

A systematic analysis of a series of donor- and/or acceptor-substituted tetraethynylethenes (TEEs, TEE = 3,4-diethynylhex-3-ene-1,5-diyne) was conducted by means of electrochemical analysis and ab initio calculations to determine the ability of the conjugated carbon core to promote electronic communication between pendant functionality. The electronic behavior as a function of the degree and pattern of substitution was examined and compared to the theoretical results. Experimentally, the study indicates that the electrochemically generated charges localize, since the presence of one redox center on the TEE core has a minimal effect on the redox characteristics of the other centers. Upon reduction of p-nitrophenyl-substituted TEEs, however, a decrease in bond length alternation in the TEE core and a corresponding increase in the phenyl rings were predicted by ab initio calculations. This cumulenic/quinoid structure was validated experimentally by the electrochemical isomerization of cis-1,6-bis(4-nitrophenyl)-3,4-bis{[(tert-butyldimethylsilyl)oxy]methyl}hex-3-ene-1,5-diyne to its trans-isomer during cyclic voltammetry. Thus, the findings show that although the multiple p-nitrophenyl redox centers present on the TEE core apparently behave independently from one another in electrochemical reduction steps, delocalization of the incurred charges is effectively conveyed by the alkynes into the carbon framework. This delocalization imparts a sufficiently high single bond character to the central TEE double bond in the dianion to allow rotation and cis−trans-isomerization.
Demonstration of the Hybrid Opto-electronic Correlator for Shift, Scale, and Rotation Invariant Target Recognition (2019)

We demonstrate experimentally that our proposed hybrid opto-electronic correlator is capable of detecting objects in a scale, rotation, and shift invariant manner using currently available technologies by incorporating the polar Mellin transform.
vfTLP characteristics of ESD devices in Si gate-all-around (GAA) nanowires (2016)

Beyond 7nm nodes, gate-all-around (GAA) nanowire (NW) is a promising device architecture. However, new architecture can result in intrinsic ESD performance degradation. In this work, we study vfTLP characteristics of GAA ESD devices. Transient analysis bring an in-depth understanding on physical failure mechanism of GAA devices during CDM ESD events.
Synthesis and characterization of cellulose nanocrystals as reinforcing agent in solely palm based polyurethane foam (2017)

The increasing awareness of the environment and the economy of petroleum resources has driven the development of alternative processes and raw materials based on sustainable and renewable biomaterials with excellent properties. This study is aimed to use biologically renewable cellulose nanocrystals (CNC) as reinforcing agent to enhance the properties of polyurethane foams (PUF) based on solely palm-polyol. Rod-like shape cellulose nanocrystals (CNC) was successfully isolated from cotton based resources via strong acid hydrolysis with the average width, length and aspect ratio about 14.7 ± 4.9 nm, 167.7 ± 23.2 nm and 11.4, respectively. The crystallinity of CNC was confirmed by using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) and was found at 82.8% and 83.8%, respectively. This obtained cellulose nanocrystals (CNC) at a loading of 0.4 wt. % was then incorporated via solvent-free sonication method in the model of palm based polyurethane foam. The preliminary results showed that the effect of CNC on the mechanical properties afforded a significant improvement on the compressive strength and modulus without affecting much their tensile strength. The results on thermal stability and thermal transitions were found unchanged whereas the storage modulus revealed substantial improvement with the presence of CNC with almost two fold from 0.7 MPa to 1.3 MPa (∼86 %).
Programmable Stimuli-Responsive Actuators for Complex Motions in Soft Robotics: Concept, Design and Challenges (2020)

During the last years, great progress was made in material science in terms of concept, design and fabrication of new composite materials with conferred properties and desired functionalities. The scientific community paid particular interest to active soft materials, such as soft actuators, for their potential as transducers responding to various stimuli aiming to produce mechanical work. Inspired by this, materials engineers today are developing multidisciplinary approaches to produce new active matters, focusing on the kinematics allowed by the material itself more than on the possibilities offered by its design. Traditionally, more complex motions beyond pure elongation and bending are addressed by the robotics community. The present review targets encompassing and rationalizing a framework which will help a wider scientific audience to understand, sort and design future soft actuators and methods enabling complex motions. Special attention is devoted to recent progress in developing innovative stimulus-responsive materials and approaches for complex motion programming for soft robotics. In this context, a challenging overview of the new materials as well as their classification and comparison (performances and characteristics) are proposed. In addition, the great potential of soft transducers are outlined in terms of kinematic capabilities, illustrated by the related application. Guidelines are provided to design actuators and to integrate asymmetry enabling motions along any of the six basic degrees of freedom (translations and rotations), and strategies towards the programming of more complex motions are discussed. As a final note, a series of manufacturing methods are described and compared, from molding to 3D and 4D printing. The review ends with a Perspectives section, from material science and microrobotic points of view, on the soft materials’ future and close future challenges to be overcome.
Pt7Sn3 Catalysts for Ethanol Electro-Oxidation: Correlation between Surface Structure and Catalytic Activity (2011)

X-ray photoelectron spectroscopy has been chosen to study the surface chemistry of carbon-supported PtSn catalysts of 70:30 at.% composition. Correlation of XPS structural information with catalytic performance for ethanol electro-oxidation in acidic solution, average particle size and structural characteristics is accomplished by application of multivariate statistical methods of data analysis (MVA). From structure to property correlations it was found that the best performing electrocatalysts do not have largest absolute amounts of Pt and Sn on the surface, whereas samples with largest amount of total Pt and Sn have the worst catalytic activity. It is shown that relative distribution of types of Pt and Sn is more important than the absolute amounts. Samples showing the highest current densities have small amounts of both metals, but have largest relative amount of both metallic Pt and metallic Sn. The same best performing samples have fewest amounts of all types of oxides, i.e. PtO, PtO2 and SnOx.
LTE-M Evolution Towards 5G Massive MTC (2017)

Massive machine type communication (mMTC) has been identified as an important use case for 5G New Radio wireless technology. In 4G Long-Term Evolution (LTE), 3GPP has previously introduced LTE-M for low-power, wide-area networks supporting the Internet of Things. Rel-13 specifications for LTE-M were completed in 2016. Rel-14 enhancements were completed in 2017 while Rel-15 enhancements are ongoing and expected to be completed in 2018. In this paper, we provide an overview of LTE-M and describe its evolution in subsequent releases. The features of the technology that have specifically been designed for mMTC are discussed. In addition, we present evaluations of LTE-M against 5G performance targets and show that mMTC requirements can be satisfied by LTE-M. To meet the 5G mMTC requirements, 3-dB power spectral density boosting is used in the downlink. In addition, for some requirements, 4 receive antennas at the eNB are required instead of the more typical 2 receive antennas. Thus, LTE-M will comprise an important component of 5G New Radio technology.
Progress In Materials Synthesis And Processing Of Barium Titanium Oxide (BaTiO3) and Barium Strontium Titanium Oxide (BaTiSrO3) Films For Uncooled Infrared (IR) Detector Applications (2011)

Abstract : This report describes the highlights and summary of the year 2, quarter four (Y2Q4) progress for the 6.2 project Improved Sensitivity Low-Cost Uncooled IR Detector Focal-Plane Arrays. This work occurred during the January 2010 May 2010 time period. The program goals for Y2Q4 corresponded to the continued expansion of our barium titanium oxide (BaTiO3) nanomaterial synthesis capabilities and deposition methods; laser-induced pyroelectric phase conversion studies and nanoscale characterization of the pyroelectric activation process; and fabrication of infrared (IR) test heterostructures for pyroelectrical analysis, along with the development of a technique for generating the requisite IR absorbing layer.
Rh Nanoparticles Dispersed on ZrO2–CeO2 Migrate to Al2O3 Supports to Mitigate Thermal Deactivation via Encapsulation (2023)

Full-scale monolithic three-way catalysts (TWCs) comprising Rh, oxygen-scavenging ZrO2–CeO2 (ZC), and γ-Al2O3 as a binder component were studied after real engine aging. The fatal irreversible deactivation that occurred under stoichiometric-lean-rich perturbation at 1000 °C for 40 h (SLR aging) was attributed to the complete encapsulation of Rh nanoparticles by ZC, leading to the physical blockage of gas adsorption. Preaging the catalyst under a rich condition at 1000 °C for 40 h (R aging) drastically mitigated this deactivation, i.e., the catalyst with R–SLR combined aging sustained its catalytic performance much better than the catalyst with SLR aging at the same temperature (1000 °C) and total time (80 h). X-ray mapping and high-temperature environmental electron microscopic analyses suggested that R aging promoted the migration of Rh nanoparticles across the ZC surface toward the boundary with the Al2O3 binder. Owing to the strong bonding with the Al2O3 surface, Rh nanoparticles were trapped at or near the boundary. Consequently, these Rh nanoparticles were unlikely to be fully covered by ZC even under the SLR aging condition because the encapsulation was induced through repetitive oxygen release/storage cycles at the Rh/ZC interface. Thus, we propose that Rh nanoparticles in contact with ZC and Al2O3 played crucial roles to hinder the encapsulation caused by SLR aging at 1000 °C. Rh nanoparticles supported on the dual-oxide support of ZC and Al2O3 were subjected to engine aging and chassis dynamometer tests. The deterioration extents of the TWC and oxygen storage capacity performances were successfully mitigated using this dual-oxide support formulation.
Influence of alignment layers on crystal growth of polymer-stabilized blue phase liquid crystals (2016)

The feature that devices based on blue phase liquid crystals (BPLCs) is free of alignment layers. However, the alignment layers could affect the morphologies of BPLC-devices as well as the electro-optical properties. In this paper, we investigate the influence of alignment layers to crystal growth of polymer-stabilized blue phase liquid crystals (PS-BPLCs). Without alignment layer, PS-BPLCs experiences both homogeneous nucleation and heterogeneous nucleation, and the morphology appears in random crystal orientations. On the contrary, when the surfaces coated with alignment layers, a heterogeneous nucleation dominates during the crystal growth process. We further proposed a possible mechanism for crystal growth under different surface condition. This study provides an alternative method to control crystal growth of PS-BPLCs, which is for facilitating many PS-BPLCs based photonic devices.
Precise physical modeling of the reverse-short-channel effect for circuit simulation (2003)

A physical based threshold voltage model for circuit simulation is developed. The conventional short-channel effect as well as the reverse-short-channel effect are included. The reverse-short-channel effect due to impurity pileup at the surface of the substrate is modeled by assuming a linear impurity profile as a function of depth. Measured threshold voltage dependence on the bulk voltage is used to determine the impurity profile. The physically based modeling of the reverse-short-channel effect enabled a short-channel effect description, which simply exploits the channel length dependence of the lateral electric field.
ChemInform Abstract: Ionic Liquids for Energy, Materials, and Medicine (2014)

Abstract Review: [258 refs.
Imide-aryl ether phenylquinoxaline block copolymers (1991)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTImide-aryl ether phenylquinoxaline block copolymersJames L. Hedrick, J. W. Labadie, and T. P. RussellCite this: Macromolecules 1991, 24, 16, 4559–4566Publication Date (Print):August 1, 1991Publication History Published online1 May 2002Published inissue 1 August 1991https://pubs.acs.org/doi/10.1021/ma00016a013https://doi.org/10.1021/ma00016a013research-articleACS PublicationsRequest reuse permissionsArticle Views155Altmetric-Citations12LEARN 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 InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
The NuroSleeve, A User-Centered 3D Printed Orthosis and Functional Electrical Stimulation System for Individuals with Upper Extremity Impairment (2023)

Abstract Background: Active upper extremity (UE) assistive devices have the potential to restore independent functional movement in individuals with UE impairment due to neuromuscular diseases or injury-induced chronic weakness. Academically fabricated UE assistive devices are not usually optimized for Activities of Daily Living (ADLs), whereas commercially available alternatives are prohibitively expensive. Both options are typically difficult to don and doff and are cumbersome for extensive daily use. To overcome these limitations, we have designed, developed, and clinically validated the NuroSleeve, an innovative user-centered UE orthosis. Methods: This study introduces the design, implementation, and clinical evaluation of the NuroSleeve, a user-centered, lightweight, affordable, easy to don and doff 3D-printed UE active orthosis for improving function and independence in individuals living with UE neuromuscular impairment. Our primary goals are to develop a customized active UE brace that individuals with UE impairment can use to perform ADLs and to evaluate the benefits of incorporating the device into occupational therapy sessions. The trial is designed as a prospective, open-label, single-cohort feasibility study of eight-week sessions combined with at-home use of the device and implements an iterative device design process where feedback from participants and therapists inform future design improvements. Results: All participants learned how to independently don, doff, and use the NuroSleeve in ADLs, both in clinical therapy and in their home environments. All participants showed improvements in their Canadian Occupational Performance Measure (COPM), which was the primary clinical trial outcome measure. Furthermore, the participants and therapists provided valuable feedback to guide further development. Conclusions: Our results from non-clinical testing and clinical evaluation demonstrate that the NuroSleeve has met performance and safety requirements and effectively improves independent voluntary function during ADLs. The study’s encouraging preliminary findings indicate that the NuroSleeve has met its technical and clinical objectives while improving on the limitations of the existing UE orthoses due to its personalized and flexible approach to hardware and firmware design. Trial Registration: ClinicalTrials.gov identifier: NCT04798378, https://clinicaltrials.gov/ct2/show/NCT04798378, date of registration: March 15, 2021.
Regulation of Tyrosine Aminotransferase by Insulin and Cyclic AMP: Similar Effects on Activity but Opposite Effects on Transcription (1989)

Tyrosine aminotransferase (TAT) is a liver-specific enzyme whose activity is subject to positive regulation by several agents including insulin and agonists that increase the intracellular concentration of cAMP. To further characterize the mechanism of insulin action and the interaction between cAMP and insulin several types of experiments were performed in a rat hepatoma cell-line. In the presence of the transcriptional inhibitor 5,6-dichloro-1-beta-D-ribofuranoyslbenzimidazole, TAT enzyme activity remains inducible by insulin and to a lesser extent by the cAMP analog (Bu)2cAMP. This suggests that transcriptional events are not necessary for the insulin-mediated increase in TAT activity, and also suggests a dualistic mechanism for the cAMP-induced increase in TAT activity. Surprisingly, using a cDNA probe for mRNATAT, it was found that insulin causes a decrease in hybridizable mRNATAT, in addition to causing a partial inhibition of the increase of hybridizable TAT transcript caused by (Bu)2cAMP. Examination of the rate of transcription of the TAT gene by a nuclear run-off assay shows that insulin causes a decrease in the transcription of the TAT gene by greater than 50%, which is sufficient to account for the decrease in hybridizable mRNATAT. As expected (Bu)2cAMP increases the transcription of TAT, but combined with insulin a complete inhibition of the increase in TAT transcription caused by (Bu)2cAMP is observed. To address the possibility that insulin acts posttranslationally to increase TAT activity, the t1/2 of TAT protein was measured in the presence and absence of insulin.(ABSTRACT TRUNCATED AT 250 WORDS)
Increased discrimination of “false memories” in autism spectrum disorder (2000)

Individuals with autism spectrum disorder (ASD) have impaired ability to use context, which may manifest as alterations of relatedness within the semantic network. However, impairment in context use may be more difficult to detect in high-functioning adults with ASD. To test context use in this population, we examined the influence of context on memory by using the "false memory" test. In the false memory task, lists of words were presented to high-functioning subjects with ASD and matched controls. Each list consists of words highly related to an index word not on the list. Subjects are then given a recognition test. Positive responses to the index words represent false memories. We found that individuals with ASD are able to discriminate false memory items from true items significantly better than are control subjects. Memory in patients with ASD may be more accurate than in normal individuals under certain conditions. These results also suggest that semantic representations comprise a less distributed network in high-functioning adults with ASD. Furthermore, these results may be related to the unusually high memory capacities found in some individuals with ASD. Research directed at defining the range of tasks performed superiorly by high-functioning individuals with ASD will be important for optimal vocational rehabilitation.
Automating compliance for cloud computing services (2012)

We present an integrated approach for automating service providers' compliance with data protection laws and regulations, business and technical requirements in cloud computing. The techniques we propose in particular include: natural-language analysis (of legislative and regulatory texts, and corporate security rulebooks) and extraction of enforceable rules, use of sticky policies, automated policy enforcement and active monitoring of data, particularly in cloud environments. We discuss ongoing work on developing a software tool for natural-language processing of cloud terms of service and other related policy texts. We also identify opportunities for future software development in the area of cloud computing compliance.
Transparent Relay and Switching of THz-wave Signals in 285-GHz Band Using Photonic Technology (2023)

A novel system for transparent relaying and switching of terahertz (THz)-wave signals is demonstrated using a low-loss optical modulator and ultra-fast tunable laser. A 32-Gb/s OFDM signal was transmitted over a switchable fiber–THz–fiber–THz system in the 285-GHz band.
Delay and rate constrained transmission policies over wireless channels (2002)

We study delay and rate constrained transmission of bursty traffic over wireless channels. We characterize the minimum power requirements via bounds for both single user and multiuser downlink problems, using a class of randomized first-come first-served policies. We show that a larger tolerable delay leads to power reduction, even for single-user Gaussian channels; a source coding interpretation is offered for the result. Further, we show that traffic with maximum-delay constraints requires more power than the same traffic with average-delay constraints.