gebhart/patrepeval huggingface dataset:
Stereospecific synthisis of 2,3-dihydro-2-metallaphenalenes, meso-[M(η-C5H5)2R2][M = Zr, Hf; R2=(CHSiME3)2C10H6], via an unstable dilithium reagent, [R2{Li(tmeda)}2](tmeda = tetramethyl-ethylenediamine), which is coverted the complex [CHSiME2C(SiMe3)C10H6][Li(tmeda)]2containing a silicon heterocycle dicarbanion (1982)

In situ Grignard reactions of 1,8-(ClCH2)2C10H10H6 have yielded 2,3-dihydro-2,2-dimethyl-2-silaphenalene, which can be selectively momolithiated at the 1-position, and 1,8-(Me3SiCH2)2C10H6, a compound readily dilithiated and subsequuently converted into the zirconium and hafnium metallacycles, meso-[M(η-C5H5)2(CHSiME3)2C10H6]; the dilithium complex is converted into the complex [[graphic omitted]C10H6][Li(tmeda)]2 containing a silicon heterocycle dicarbanion and characterized as the substituted silaphenalene, the same product as the ClSiMe3 adducts of momo-lithiated silaphenalene.
Crystallization of soluble urokinase receptor (suPAR) in complex with urokinase amino-terminal fragment (1–143) (2005)

Urokinase-type plasminogen activator (urokinase, uPA) and its receptor, uPAR, have been implicated in cell adhesion, migration, tissue remodelling and tumour-cell invasion. uPAR has three domains and is anchored to membranes by a glycosyl-phosphatidylinositol (GPI) anchor. Recombinant uPAR without its GPI anchor, soluble uPAR (suPAR), tends to oligomerize, making it difficult to crystallize. The amino-terminal fragment (ATF) of uPA is the major receptor-binding determinant in suPAR and binds to suPAR with nanomolar affinity, indistinguishable from membrane-bound uPAR. It is shown that uPA is capable of dissociating the oligomerization of suPAR and the crystallization of the suPAR-ATF complex is reported here. The resulting crystals diffract to 3.1 A using a synchrotron X-ray source.
Energy-Storing Cryogenic Carbon Capture™ for Utility and Industrial-scale Processes (Final Report) (2022)

This project leverages work completed under funding from previous U.S. Department of Energy (DOE) projects and other sources of funding around the Cryogenic Carbon Capture Process™ (CCC). The purpose of this project is to further develop a perturbation of the CCC process that stores energy called the Cryogenic Carbon Capture™ Energy Storing (CCC-ES) process. The successful completion of the tasks in this project has prepared the CCC-ES process for scaling and developed initial plans and a feasibility analysis for an engineering-scale or small-commercial scale system that can store at least 10 MWh of energy. The specific areas of work in this project are: Develop a conceptual, site-specific integrated process flow diagram. Sustainable Energy Solutions (SES) developed a conceptual, site-specific plan including a process flow diagram for integrating CCC-ES at a specific location. The proposed system was based on a typical engineering-scale CCC system designed to capture 30-50 metric tonnes of CO2 per day (TPD), with modifications and additional changes and equipment put in place to add the energy storage element to the system. The 30-50 TPD scale corresponds to the required 10 MWh of stored energy. This task includes updating simulation software for transient analysis. SES also coordinated with the Jim Bridger Power Plant in Point of Rocks, Wyoming to get site-specific data. Using these data, SES completed site-specific preliminary process flow diagrams, estimated capital and operating costs for the CCC-ES system, and used the upgraded software package to estimate the primary figures of merit. Complete a technoeconomic analysis (TEA) SES completed a full-scale TEA of the CCC-ES system to meet specific success criteria. This TEA used process information from the host site selected above. Technology and data gap assessment for the CCC-ES process As part of the technology gap assessment, SES performed an assessment of the best alternative energy storage solutions including figures of merit and operational strengths and weaknesses. SES then compared the proposed system with a discussion of how it addresses the weaknesses of alternative systems, showing for example a cost of stored energy at less than $50/MWh and with a roundtrip efficiency of greater than 95%. This assessment includes technical and other risk analyses and technology gaps with research and development needs to commercialize the process by 2030. Finally, work includes a commercialization roadmap/development pathway outlining the major milestones to move to a commercially operating CCC-ES system. Phase II pre-FEED project plan SES completed a project plan for the Phase II pre-FEED analysis using the same host site as in the Phase I conceptual study.
Retinol binding protein 3 as biomarker for diabetic retinopathy (2019)

We thank Dr. Rusciano and Dr. Bagnoli for their interest in our article “Retinol binding protein 3 is increased in the retina of patients with diabetes resistant to diabetic retinopathy” (1). Our article identified the first neuroretinal selective protein to act on retinal vasculature, suggesting numerous therapeutic and diagnostic possibilities. Several reports have suggested potential circulatory biomarkers which may be associated with severity of diabetic retinopathy (DR) (2-10). However, a major limiting factor in those studies is that the expression of those factors is not limited to the retina and are generally primarily expressed in other tissues. Thus, the circulating levels of those factors do not specifically represent retinal changes. However, RBP3 is very selectively expressed in the photoreceptors of the retina, with only very minor expression in the pineal gland. With the development of a highly sensitive and selective ELISA, we can measure RBP3 in the vitreous and accessible human fluids including the serum. Future studies are needed to elucidate the utility of circulating RBP3 levels as a biomarker for the severity or potential progression of DR.
GaAs pseudomorphic HEMTs for low voltage high frequency DC-DC converters (2009)

Efficient power conversion at high switching frequencies requires switching transistors with a low gate charge to limit the switching losses in addition to low specific ON resistance. We report two integrable GaAs switching pHEMTs, 14 V enhancement mode and 7 V depletion mode transistors that show much superior switching figure of merit (R <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">on</sub> times Q <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">G</sub> ) than that of state-of-the-art silicon MOSFETs. These transistors can achieve highly efficient DC-DC power conversion at 100 MHz and beyond.
Thermally Activated Reactions of Phenol at the Ge(100)-2 × 1 Surface (2020)

Organic functionalization of semiconductor surfaces may be utilized to couple the properties of semiconductor materials with organic molecules. In this work, the adsorption and thermal reactions of phenol on the Ge(100)-2 × 1 surface were studied. A combination of multiple internal reflection Fourier transform infrared (MIR-FTIR) spectroscopy under ultrahigh vacuum (UHV) conditions and density functional theory (DFT) calculations was used to elucidate the surface chemical reactions of phenol. While phenol initially chemisorbs on Ge(100)-2 × 1 at 300 K via O–H dissociation to form phenoxy (C6H5O*), annealing to 573 K transforms the adsorbate into phenyl (C6H5*). A sequential reaction pathway for the migration of oxygen into substrate and formation of phenyl is suggested, which requires significant thermal activation and yields slight exothermicity.
Large-Scale Welding Process Simulation by GPU Parallelized Computing (2021)

The computational design of industrially relevant welded structures is extremely time consuming due to coupled physics and high nonlinearity. Previously, most welding distortion and residual stress simulations have been limited to small coupons and reduced order (from three-dimensional [3D] to two-dimensional [2D]), or inherent strain approximations were used for large structures. In this current study, an explicit finite element code based on a graphics processing unit was utilized to perform 3D transient thermomechanical simulation of structural components during welding. Laser brazing of aluminum alloy panels as representative of automotive manufacturing scenarios was simulated to predict out-of-plane distortion under different clamping conditions. The predicted deformation pattern and magnitude were validated by laser scanning data of physical assemblies. In addition, the code was used to investigate residual stresses developed during multipass arc welding of a nuclear industry pressurizer surge nozzle and subsequent welding repair where a 3D simulation was necessary. Taking the experimental data as reference, the 3D model predicted better residual stress distribution than a typical 2D asymmetrical model. Stress evolution in welding repair was also presented and discussed in this study. The efficient numerical model made it feasible to use integrated computational welding engineering to simulate welding processes for large-scale structures.
Design Optimization and Experimental Study of Coreless Axial-flux PM Machines with Wave Winding PCB Stators (2021)

This paper presents a systematic design optimization and experimental study of coreless axial-flux permanent magnet (AFPM) machines with wave winding printed circuit board (PCB) stators. Existing PCB winding configurations are briefly reviewed and compared to serve as a performance reference. A new concept –the “macro coil”– is proposed to model PCB stator windings in 3D finite element analysis (FEA) to facilitate large-scale multi-objective optimization with the winding eddy current losses evaluated in each design candidate. The detailed trace-by-trace model for a selected optimal design is then built to check the voltage difference between parallel paths and the resulting circulating currents. A prototype with two PM rotors and a central stator comprising multiple stacked PCBs has been fabricated and tested on a customized test fixture for experimental validation.
Al2O3 Atomic Layer Deposition with Trimethylaluminum and Ozone Studied by in Situ Transmission FTIR Spectroscopy and Quadrupole Mass Spectrometry (2008)

The atomic layer deposition (ALD) of Al2O3 using sequential exposures of Al(CH3)3 and O3 was studied by in situ transmission Fourier transform infrared (FTIR) spectroscopy and quadrupole mass spectrometry (QMS). The FTIR spectroscopy investigations of the surface reactions occurring during Al2O3 ALD were performed on ZrO2 particles for temperatures from 363 to 650 K. The FTIR spectra after Al(CH3)3 and ozone exposures showed that the ozone exposure removes surface AlCH3* species. The AlCH3* species were converted to AlOCH3* (methoxy), Al(OCHO)* (formate), Al(OCOOH)* (carbonate), and AlOH* (hydroxyl) species. The TMA exposure then removes these species and reestablishes the AlCH3* species. Repeating the TMA and O3 exposures in a sequential reaction sequence progressively deposited the Al2O3 ALD film as monitored by the increase in absorbance for bulk Al2O3 infrared features. The identification of formate species was confirmed by separate formaldehyde adsorption experiments. The formate species were temperature dependent and were nearly absent at temperatures ≥650 K. QMS analysis of the gas phase species revealed that the TMA reaction produced CH4. The ozone reaction produced mainly CH4 with small amounts of C2H4 (ethylene), CO, and CO2. Transmission electron microscopy (TEM) was also used to examine the Al2O3 ALD films deposited on the ZrO2 particles. These TEM images observed conformal Al2O3 ALD films with thicknesses that were consistent with an Al2O3 ALD growth rate of 1.1 Å/cycle. The surface species after the O3 exposures and the mass spectrometry results lead to a very different mechanism for Al2O3 ALD growth using TMA and O3 compared with Al2O3 ALD using TMA and H2O.
Origin and Control of OFF-State Leakage Current in GaN-on-Si Vertical Diodes (2015)

Conventional GaN vertical devices, though promising for high-power applications, need expensive GaN substrates. Recently, low-cost GaN-on-Si vertical diodes have been demonstrated for the first time. This paper presents a systematic study to understand and control the OFF-state leakage current in the GaN-on-Si vertical diodes. Various leakage sources were investigated and separated, including leakage through the bulk drift region, passivation layer, etch sidewall, and transition layers. To suppress the leakage along the etch sidewall, an advanced edge termination technology has been developed by combining plasma treatment, tetramethylammonium hydroxide wet etching, and ion implantation. With this advanced edge termination technology, an OFF-state leakage current similar to Si, SiC, and GaN lateral devices has been achieved in the GaN-on-Si vertical diodes with over 300 V breakdown voltage and 2.9-MV/cm peak electric field. The origin of the remaining OFF-state leakage current can be explained by a combination of electron tunneling at the p-GaN/drift-layer interface and carrier hopping between dislocation traps. The low leakage current achieved in these devices demonstrates the great potential of the GaN-on-Si vertical device as a new low-cost candidate for high-performance power electronics.
Catalytic synthesis of 1-arylethylphosphonates by the hydrogenation of unsaturated precursors in the presence of chitosan-based palladium catalysts (2006)

Three-component silica-supported palladium-containing systems based on chitosan were synthesized and studied by scanning electron microscopy. These systems showed catalytic activity in the hydrogenation (including chemoselective hydrogenation) of α,β-unsaturated phosphonic acids and their esters. Modification of chitosan on the silica surface with glutaraldehyde considerably enhances the stability and activity of the catalyst.
Broadly-neutralizing anti-influenza virus antibodies: Enhancement of neutralizing potency in polyclonal mixtures and IgA backbones (VIR5P.1141) (2015)

Abstract The recent discovery of broadly-neutralizing antibodies that target the hemagglutinin stalk domain has renewed hope that the development of “universal” influenza virus vaccines may be within reach. To this end, we have examined the functions of hemagglutinin stalk-binding antibodies in an endogenous setting - as polyclonal preparations isolated from human sera. Relative to monoclonal antibodies that bind to the HA head domain, the neutralization potency of monoclonal stalk-binding antibodies was vastly inferior in vitro, but was enhanced by several orders of magnitude in the polyclonal context. Furthermore, we demonstrated a surprising enhancement in IgA-mediated HA stalk neutralization relative to that achieved by antibodies of IgG isotypes. Mechanistically, this could be explained in two ways. Identical variable regions consistently neutralized virus more potently when in an IgA backbone compared to an IgG backbone. Additionally, HA-specific memory B cells isolated from human peripheral blood were more likely to be stalk-specific when secreting antibodies of IgA isotypes compared to those secreting IgG. Taken together, our data provide strong evidence that HA stalk-binding antibodies perform optimally when in a polyclonal context, and that the targeted elicitation of HA stalk-specific IgA should be an important consideration during “universal” influenza virus vaccine design.
The circuits and physical design of the synergistic processor element of a CELL processor (2005)

A 32b 4-way SIMD dual-issue synergistic processor element of a CELL processor is developed with 20.9 million transistors in 14.8mm/sub 2/ using a 90nm SOI technology. CMOS static gates implement the majority of the logic. Dynamic circuits are used in critical areas, occupying 19% of the non-SRAM area. ISA, microarchitecture, and physical implementation are tightly coupled to achieve a compact and power efficient design. Correct operation has been observed up to 5.6GHz at 1.4V supply and 56/spl deg/C.
SkipDecode: Autoregressive Skip Decoding with Batching and Caching for Efficient LLM Inference (2023)

Autoregressive large language models (LLMs) have made remarkable progress in various natural language generation tasks. However, they incur high computation cost and latency resulting from the autoregressive token-by-token generation. To address this issue, several approaches have been proposed to reduce computational cost using early-exit strategies. These strategies enable faster text generation using reduced computation without applying the full computation graph to each token. While existing token-level early exit methods show promising results for online inference, they cannot be readily applied for batch inferencing and Key-Value caching. This is because they have to wait until the last token in a batch exits before they can stop computing. This severely limits the practical application of such techniques. In this paper, we propose a simple and effective token-level early exit method, SkipDecode, designed to work seamlessly with batch inferencing and KV caching. It overcomes prior constraints by setting up a singular exit point for every token in a batch at each sequence position. It also guarantees a monotonic decrease in exit points, thereby eliminating the need to recompute KV Caches for preceding tokens. Rather than terminating computation prematurely as in prior works, our approach bypasses lower to middle layers, devoting most of the computational resources to upper layers, allowing later tokens to benefit from the compute expenditure by earlier tokens. Our experimental results show that SkipDecode can obtain 2x to 5x inference speedups with negligible regression across a variety of tasks. This is achieved using OPT models of 1.3 billion and 6.7 billion parameters, all the while being directly compatible with batching and KV caching optimization techniques.
Comparison of microbiologically and enzymatically mediated Baeyer–Villiger oxidations: synthesis of optically active caprolactones (1996)

Optically active α-substituted caprolactones (7-substituted oxepan-2-ones) were obtained by biocatalysed Baeyer–Villiger oxidations of various α-substituted cyclohexanones using either whole-cells of Acinetobacter TD63 or a purified cyclohexanone monooxygenase from Ps. putida NCIMB 10007 (MO2). A refinement of the previously established active site model is proposed.
Synthesis of Complement by Alveolar Macrophages from Patients with Sarcoidosis (1990)

Sarcoidosis is a granulomatous disorder of unknown aetiology. Alveolar macrophages (AM) in sarcoidosis release a variety of mediators important to the pathogenesis of the disease. Complement is essential for the inflammatory response and we investigated whether there were any major defects in the potential for sarcoidosis AM to synthesize complement in vitro. AM from 11 patients with active sarcoidosis and three healthy controls were cultured under serum-free conditions. There was a significant binding of polyclonal (anti-C5, -C6, -C7, -C8) and monoclonal anti-complement antibodies (anti-C3c and anti-C9 neoepitope (aE11] to agarose beads incubated with unstimulated AM for 24, 48, or 72 h. A significant and inhibitable production of soluble C3c, C5, C9, and S-protein was found in the harvested medium as detected by enzyme immunoassays. Activated C3 and C9 were also detected based on neoepitope expression. Presence of co-cultured agarose beads reduced the amount of soluble S-protein due to deposition on the agarose. We argue that the C9 neoepitope is an integral part of the terminal complement complex (TCC), both in the fluid and solid phase when bound to the agarose. In the fluid phase, SC5b-9 was generated, whereas the agarose-bound S-protein is assumed not to be associated with TCC on the beads. The results demonstrate for the first time that AM from sarcoidosis patients synthesize the functional alternative and terminal pathway of complement.
Implementation of a Hardware-Assisted Bluetooth-Based COVID-19 Tracking Device in a High School: Mixed Methods Study (2022)

Implementation of HABIT in a high school was impeded by technical difficulties leading to decreased engagement and adherence. Nonetheless, HABIT identified a significant number of unique contacts not reported by interview, indicating that electronic technologies may augment traditional contact tracing once user preferences are accommodated and technical glitches are overcome. Participants indicated a high degree of acceptance, citing emotional reassurance and a sense of security with the device.
Case histories and geological applications (2012)

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A review of voice, data and video traffic models for ATM (1994)

Abstract This paper describes the main statistical features of voice, data and video sources, defines a set of selection criteria for selecting source models for these sources, describes a number of relevant source models for representing these sources and recommends the best source models based on the results of the parameterisation of these models from measured data.
Self-Standing Lignin-Containing Willow Bark Nanocellulose Films for Oxygen Blocking and UV Shielding (2021)

Developing the bio-based barrier material to substitute the petroleum-based one is the trend in functional packaging applications. Utilization of the abundantly under-appreciated bark biomass is attractive from the sustainability point of view; however, an upgraded approach is required to maximize the performances of the lignin-containing cellulose nanofibril (LCNF) films from willow bark. Herein, hot water extraction (HWE) and microfluidization were studied for their effect on the yield of LCNF and its film performance after treatment of aqueous p-toluenesulfonic acid. The resultant HWE films were superior to the nontreated ones regarding yield, moisture, and oxygen barrier properties. In particular, the HWE films achieved an oxygen permeability of 3 cm(3).mu m/ m(2).kPa.day at 50% relative humidity, which is among the lowest achieved for single bio-based materials and comparable to commercially available synthetic barrier films. The LCNF films attained complete blocking of UV light transmission within the wavelength range of 290-400 nm. Overall, this study shows that HWE pretreatment not only allows the recovery of high-value extracts, but also significantly improves the yield of LCNF and its barrier performances. The biocompatible, lignin-containing, and self-standing hydrophobic nanocellulose films show promise as a barrier layer against UV radiation and oxygen permeation in food packaging and other applications.
A phase reconstruction algorithm from bispectrum (seismic reflection data) (1990)

A computationally efficient procedure for the reconstruction of the impulse response of a (minimum- or nonminimum-phase) linear time-invariant system from its bispectrum is presented. This method is based on computing cepstrum of the impulse response sequence from the omega /sub 1/= omega /sub 2/ slice of the bispectrum. The algorithm can be implemented by using only the one-dimensional fast Fourier transform algorithm.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
The 3D structure of a cyclosporin analogue in water is nearly identical to the cyclophilin‐bound cyclosporin conformation (1994)

The conformation of [D-MeSer3-D-Ser-(O-Gly)8]CS, a water soluble cyclosporin derivative, has been determined in (D6)DMSO and in water using NMR. In these polar solvents the conformation is identical and very similar to the structure found in the cyclophilin-cyclosporin complex. However, it differs significantly from its conformation in deuterated chloroform. This demonstrates unambiguously that the large structure change is induced primarily by the polar solvent rather than by complex formation with cyclophilin.