gebhart/patrepeval huggingface dataset:
Mechanistic analysis of a copper-catalyzed C–H oxidative cyclization of carboxylic acids (2017)

We recently reported that carboxylic acids can be oxidized to lactone products by potassium persulfate and catalytic copper acetate. Here, we unravel the mechanism for this C-H functionalization reaction using desorption electrospray ionization, online electrospray ionization, and tandem mass spectrometry. Our findings suggest that electron transfer from a transient benzylic radical intermediate reduces Cu(ii) to Cu(i), which is then re-oxidized to Cu(ii) in the catalytic cycle. The resulting benzylic carbocation is trapped by the pendant carboxylate group to give the lactone product. Formation of the putative benzylic carbocation is supported by Hammett analysis. The proposed mechanism for this copper-catalyzed oxidative cyclization process differs from earlier reports of analogous reactions, which posit a substrate carboxylate radical as the reactive oxidant.
High Flow Rate Per Power Pumping of Aqueous Solutions and Organic Solvents With Electroosmotic Pumps (2005)

We present experimental investigations of porous glass electroosmotic pumping of various low conductivity solutions. We evaluate pump pressure, flow rate, and current for sodium borate buffer, deionized water, deuterium oxide, methanol, and acetone. We present data for several figures of merit associated with steady state pumping, and present selected transient data measurements.
Oxidation Kinetics of a Continuous Carbon Phase in a cl (1995)

Andrew J. Eckel*National Aeronautics and Space Administration, Lewis Research Center, Cleveland, Ohio 44135James D. Cawley*Case Western Reserve University, Cleveland, Ohio 44106Triplicane A. Parthasarathy*UES, Inc., Dayton, Ohio 45432Analytical solutions of and experimental results on the oxi-dation kinetics of carbon in a pore are presented. Reactionrate, reaction sequence, oxidant partial pressure, total sys-tem pressure, pore/crack dimensions, and temperature areanalyzed with respect to the influence of each on an overalllinear-parabolic rate relationship. Direct measurement ofcarbon recession is performed using two microcompositemodel systems oxidized in the temperature range of 700 ° to1200°C, and for times to 35 h. Experimental results areevaluated using the derived analytical solutions. Impli-cations on the oxidation resistance of continuous-fiber-reinforced ceramic-matrix composites containing a carbonconstituent are discussed.I. IntroductionHE kinetics of carbon oxidation are critical for a broad rangeof materials systems, processes, and technologies. And, forthe specific case of carbon oxidizing and receding in a nonreac-tive matrix, the kinetics can be either the Achilles' heel or anenabling step. For example, in a continuous-fiber-reinforcedceramic-matrix composite (CFCC), carbon may be present asthe reinforcing fiber or as a thin film at the fiber-matrix inter-face. The interracial layer provides the critically importantdebond layer which imparts to the composite superior mechani-cal properties--most importantly, fracture toughness. The lossof the carbon in these materials by oxidation severely reducesthe service life and is potentially catastrophic. On the otherhand, the complete removal of the continuous carbon phaseconstituent from a matrix may be desirable in material systemswhere, by design, the loss of fugitive carbon forms a benefi-cial void. _ Thus, an understanding of the key parameters con-trolling the oxidation kinetics of a continuous carbon phaseconstituent is useful for the design and life prediction of severalmaterial systems.The objective of this work was to answer some of the keyoxidation questions associated with the technological exploita-tion and experimental evaluation of materials with a continuouscarbon phase. Specifically, can a fiber-reinforced composite bedesigned with a carbon interphase thin enough to slow oxida-tion to a technologically acceptable rate? Why are the observed
PhotoScene: Photorealistic Material and Lighting Transfer for Indoor Scenes (2022)

Most indoor 3D scene reconstruction methods focus on recovering 3D geometry and scene layout. In this work, we go beyond this to propose PhotoScene, a framework that takes input image(s) of a scene along with approximately aligned CAD geometry (either reconstructed automatically or manually specified) and builds a photorealistic digital twin with high-quality materials and similar lighting. We model scene materials using procedural material graphs; such graphs represent photorealistic and resolution-independent materials. We optimize the parameters of these graphs and their texture scale and rotation, as well as the scene lighting to best match the input image via a differentiable rendering layer. We evaluate our technique on objects and layout reconstructions from ScanNet, SUN RGB-D and stock photographs, and demonstrate that our method reconstructs high-quality, fully relightable 3D scenes that can be re-rendered under arbitrary viewpoints, zooms and lighting.
Preparation of C-5 Substituted Cidofovir Derivatives (2006)

1-[( S )-3-Hydroxy-2-(phosphonomethoxy)propyl]cytosine (HPMPC, cidofovir) was modified by substitution on the base moiety in positions C-5 and N 4 . Key intermediates of these syntheses, diisopropyl esters of ( S )-1-[2-(phosphonomethoxy)-3-(triphenylmethoxy)propyl]-5-alkylcytosines ( 6 and 7 ) prepared from 5-alkyl-4-methoxypyrimidin-2(1 H )-ones were transformed to the corresponding 5-substituted cytosine or N 4 -alkylcytosine derivatives by the action of ammonia or primary amines, respectively. These fully protected phosphonate esters gave by treatment with bromotrimethylsilane followed by hydrolysis free phosphonic acids: 1-[( S )-3-hydroxy-2-(phosphonomethoxy)propyl]-5-methylcytosine (5-methyl-HPMPC, 10 ), 5-ethyl-1-[( S )-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine (5-ethyl-HPMPC, 11 ) and a series of 5-ethyl-HPMPC analogues 17 - 21 bearing various substituents in N 4 position (cyclopropyl, cyclopentyl, 2-hydroxyethyl, allyl, 2-(dimethylamino)ethyl). 5-Ethynyl-1-[( S )-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine (5-ethynyl-HPMPC, 26 ) was prepared from 5-iodocytosine derivative 23 using Sonogashira coupling with (trimethylsilyl)acetylene, CuI and [PdCl 2 (Ph 3 P) 2 ]. None of the prepared compounds exhibited antiviral activity in vitro.
The Complementary FET (CFET) 6T-SRAM (2021)

This article discusses complementary FET (CFET)-based static random access memory (SRAM) to achieve next-generation bitcell area scaling and performance gain in advanced CMOS technology nodes. SRAM bitcell area reduction, lower SRAM parasitic resistance, and higher drive strength are mandatory to continue SRAM scaling with technology advancement. The CFET reduces the SRAM bitcell area by folding nMOS over pMOS and making SRAM cross-coupled connections in the middle end of line (MEOL). The compact bitcell offers large area scaling combined with lowering bitline and wordline resistance. Lower parasitic resistance improves SRAM write margin and performance. The CFET SRAM cell area, write margin, read margin, and performance are evaluated and compared with FinFET (FF)-based SRAM. The CFET 111 and 122 SRAM provides up to 43.75% and 35% area gain w.r.t. FF 111 and 122 SRAM, respectively. Moreover, the CFET 122 SRAM has 11% faster read operation than FF 122 SRAM, respectively.
$Q (2018)

We introduce $Q, a super-quick, articulation-invariant point-cloud stroke-gesture recognizer for mobile, wearable, and embedded devices with low computing resources. $Q ran up to 142X faster than its predecessor $P in our benchmark evaluations on several mobile CPUs, and executed in less than 3% of $P's computations without any accuracy loss. In our most extreme evaluation demanding over 99% user-independent recognition accuracy, $P required 9.4s to run a single classification, while $Q completed in just 191ms (a 49X speed-up) on a Cortex-A7, one of the most widespread CPUs on the mobile market. $Q was even faster on a low-end 600-MHz processor, on which it executed in only 0.7% of $P's computations (a 142X speed-up), reducing classification time from two minutes to less than one second. $Q is the next major step for the "$-family" of gesture recognizers: articulation-invariant, extremely fast, accurate, and implementable on top of $P with just 30 extra lines of code.
CO2 Saturation and Thickness Prediction from 4D Seismic Data at Snřhvit Field (2013)

A procedure, guided by seismic modelling, for predicting CO2 thickness and CO2 saturation away from the injector is established on the Snřhvit Field. The modelled 4D data are calibrated to the real 4D data. In this way we are able to correct for near wellbore effects, such as pressure and temperature. Rapid decrease of saturation and thickness away from the injector is predicted from the 4D data. The shape of the CO2 plume and saturation predicted from 4D data shows some differences compared to the simulation model. The CO2 volume estimated from 4D data match reasonably well to what is actually injected in this time period.
A Microfluidic Diluter Based on Pulse Width Flow Modulation (2009)

We demonstrate that pulse width flow modulation (PWFM) can be used to design fast, accurate, and precise multistage dilution modules for microfluidic devices. The PWFM stage unit presented here yields 10-fold dilution, but several PWFM stages can be connected in series to yield higher-order dilutions. We have combined two stages in a device thus capable of diluting up to 100-fold, and we have experimentally determined a set of rules that can be conveniently utilized to design multistage diluters. Microfabrication with resist-based molds yielded geometrical channel height variances of 7% (22.9(16) microm) with corresponding hydraulic resistance variances of approximately 20%. Pulsing frequencies, channel lengths, and flow pressures can be chosen within a wide range to establish the desired diluter properties. Finally, we illustrate the benefits of on-chip dilution in an example application where we investigate the effect of the Ca(2+) concentration on a phospholipid bilayer spreading from a membrane reservoir onto a SiO(2) surface. This is one of many possible applications where flexible concentration control is desirable.
Probing Intermolecular Vibrational Symmetry Breaking in Self-Assembled Monolayers with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy (2017)

Ultrahigh vacuum tip-enhanced Raman spectroscopy (UHV-TERS) combines the atomic-scale imaging capability of scanning probe microscopy with the single-molecule chemical sensitivity and structural specificity of surface-enhanced Raman spectroscopy. Here, we use these techniques in combination with theory to reveal insights into the influence of intermolecular interactions on the vibrational spectra of a N-N'-bis(2,6-diisopropylphenyl)-perylene-3,4:9,10-bis(dicarboximide) (PDI) self-assembled monolayer adsorbed on single-crystal Ag substrates at room temperature. In particular, we have revealed the lifting of a vibrational degeneracy of a mode of PDI on Ag(111) and Ag(100) surfaces, with the most strongly perturbed mode being that associated with the largest vibrational amplitude on the periphery of the molecule. This work demonstrates that UHV-TERS enables direct measurement of molecule-molecule interaction at nanoscale. We anticipate that this information will advance the fundamental understanding of the most important effect of intermolecular interactions on the vibrational modes of surface-bound molecules.
Abstract 5814: Synthetic lethal therapy to overcome resistance to AURKA inhibition in HPV-negative head and neck cancer (2018)

Abstract Head and neck squamous cell carcinomas (HNSCC) affect more than a half million people annually worldwide. Most currently available treatments, which include cisplatin and irradiation, are associated with significant morbidity, while many targeted inhibitors show limited single agent efficacy: novel therapeutic approaches which combine efficacy and limited toxicity are needed. The most common mutational event in human papillomavirus (HPV)-negative HNSCC is mutation of TP53. As control of the G1/S transition is entirely p53-dependent, cells with TP53 mutations lose the G1/S checkpoint, and evade radiation- and cisplatin-induced cellular senescence. Targeting the serine/threonine mitotic kinase Aurora-A (AURKA) emerged as a promising synthetic lethal approach in this setting. AURKA is negatively regulated by p53, which causes upregulation of AURKA in the majority of cases of HNSCC, correlating with poor prognosis and cisplatin resistance. The single agent AURKA inhibitor MLN8237 (alisertib) had a 9% monotherapy response rate in treatment-refractory HNSCC, with all responses occurring in HPV-negative or -unknown disease. In our study, we used initial high throughput screening in multiple genomically characterized HNSCC cell lines to identify synergistic combinations involving AURKA inhibitors and 20 other inhibitors of cell cycle, and cell cycle checkpoint controls. This work has identified has several effective combinations, particularly in between alisertib (targeting AURKA), danusertib (AURKA and AURKB), LY2606368/prexasertib (CHK1), and reversine (MPS1). Multiplexing analysis with measures of cell metabolism, direct visualization of mitotic nuclei, and additional assays has allowed us to dissect distinct execution points for different drug combinations. We will describe in detail mechanistic interactions between specific combinations of value for HNSCC. These drug combinations are likely to represent a new and effective modality for treating TP53-mutated cancers. Citation Format: Alexander Y. Deneka, Margret B. Einarson, Jong Woo Lee, Anna S. Nikonova, Barbara Burtness, Erica A. Golemis. Synthetic lethal therapy to overcome resistance to AURKA inhibition in HPV-negative head and neck cancer [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2018; 2018 Apr 14-18; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2018;78(13 Suppl):Abstract nr 5814.
Estimating Effects on Rare Outcomes: Knowledge is Power (2013)

Many of the secondary outcomes in observational studies and randomized trials are rare. Methods for estimating causal effects and associations with rare outcomes, however, are limited, and this represents a missed opportunity for investigation. In this article, we construct a new targeted minimum loss-based estimator (TMLE) for the effect of an exposure or treatment on a rare outcome. We focus on the causal risk difference and statistical models incorporating bounds on the conditional risk of the outcome, given the exposure and covariates. By construction, the proposed estimator constrains the predicted outcomes to respect this model knowledge. Theoretically, this bounding provides stability and power to estimate the exposure effect. In finite sample simulations, the proposed estimator performed as well, if not better, than alternative estimators, including the propensity score matching estimator, inverse probability of treatment weighted (IPTW) estimator, augmented-IPTW and the standard TMLE algorithm. The new estimator remained unbiased if either the conditional mean outcome or the propensity score were consistently estimated. As a substitution estimator, TMLE guaranteed the point estimates were within the parameter range. Our results highlight the potential for double robust, semiparametric efficient estimation with rare events
Closed Flexible Intramedullary Nailing of the Femoral Shaft Fractures in Children (1997)

We treated 34 femoral shaft fractures in 32 children with elastic intramedullary nailing using titanium rods. The 24 boys and 8 girls ranged from 6-17 years. All fractures united. The weight bearing was authorized at an average of 67 days and was complete at an average of 89 days. All children returned to school before the end of the second postoperative month. An an average of 2.5 years, no rotational malalignment was present. Neither anteroposterior nor frontal malalignment of more than 2 degrees was noticed. A leg length discrepancy of more than 10 mm was present in 3 patients (8%). No injury of femoral head vascularization or of the proximal or distal growth plate was noticed. In our experience, this technique seems to be safe for the surgical treatment of the immature femoral shaft fractures. The elastic properties of titanium provide a very good stability of the montage, when the technique is correctly performed.
QoS & traffic management in IP & ATM networks (2000)

Part 1 The traffic phenomenon: traffic in our everyday lives basic source traffic models mathematical models of traffic. Part 2 Capacity and service: service - is there ever enough? characterizing service mathematical models of service. Part 3 Queuing principles: queuing - a fancy name for waiting in line basic queuing theory advanced queuing theory. Part 4 Performance measures: perception is reality quality of service defined performance of common queuing systems. Part 5 Congestion: traffic jam up ahead congestion in networks analysis of congestion. Part 6 Network modelling: on the road again network modelling concepts common network models. Part 7 Putting it all together: traffic engineering applied designing real world networks where to go from here.
A family of conserved noncoding elements derived from an ancient transposable element (2006)

The evolutionary origin of the conserved noncoding elements (CNEs) in the human genome remains poorly understood but may hold important clues to their biological functions. Here, we report the discovery of a CNE family with approximately 124 instances in the human genome that demonstrates a clear signature of having been derived from an ancient transposon. The CNE family is also present in the chicken genome, although typically not at orthologous locations. The CNE family is closely related to the active transposon SINE3 in zebrafish and also to a previously uncharacterized transposon in the coelacanth, the so-called "living fossil" belonging to the lobe-finned fish lineage. The mammal, bird, zebrafish, and coelacanth families all share a highly similar core element of approximately 180 bp but have important differences in their 5' and 3' ends. The core element has thus been preserved over 450 million years of evolution, implying an important biological function. In addition, we identify 95 additional CNE families that likely predate the mammalian radiation. The results highlight both the creative role of transposons and the importance of CNE families.
An Educational Tool for Hearing Aid Compression Fitting via a Web-based Adjusted Smartphone App (2019)

This paper presents an educational tool to learn about how hearing aid compression fitting is prescribed from a signal processing perspective. An interactive web-based program has been developed based on the widely used DSL-v5 fitting rationale. This program can be accessed and used from any internet browser to generate the parameters of compression curves that correspond to the nine frequency bands used in DSL-v5. These parameters are then transferred to a smartphone in the form of a datafile to be used by a compression app, which operates as a virtual hearing aid, running in real-time on both iOS and Android smartphones. This educational tool was found to be very easy-to-use by signal processing engineers as no programming knowledge is needed for adjusting gain across frequency bands and subsequently running the corresponding compression curves in the smartphone app to appropriately compress input sound signals.
Evaporation‐Induced Vertical Alignment Enabling Directional Ion Transport in a 2D‐Nanosheet‐Based Battery Electrode (2020)

2D nanosheets have been widely explored as electrode materials owing to their extraordinarily high electrochemical activity and fast solid-state diffusion. However, the scalable electrode fabrication based on this type of material usually suffers from severe performance losses due to restricted ion-transport kinetics in a large thickness. Here, a novel strategy based on evaporation-induced assembly to enable directional ion transport via forming vertically aligned nanosheets is reported. The orientational ordering is achieved by a rapid evaporation of mixed solvents during the electrode fabrication process. Compared with conventional drop-cast electrodes, which exhibit a random arrangement of the nanosheets and obvious decrease of rate performance with increasing thickness, the electrode based on the vertically aligned nanosheets is able to retain the original high rate capability even at high mass loadings and electrode thickness. Combined electrochemical and structural characterization reveals the electrode composed of orientation-controlled nanosheets to possess lower charge-transfer resistances, leading to more complete phase transformation in the active material.
Supplementary Figure 3 from Tumor-Specific CD8<sup>+</sup> T Cells Expressing Interleukin-12 Eradicate Established Cancers in Lymphodepleted Hosts (2023)

Supplementary Figure 3 from Tumor-Specific CD8&lt;sup&gt;+&lt;/sup&gt; T Cells Expressing Interleukin-12 Eradicate Established Cancers in Lymphodepleted Hosts
Science for the Globe (2008)

Science and technology (S&amp;T) can be viewed from many angles. At this year’s annual meeting of the American Association for the Advancement of Science (AAAS), which starts on 14 February in Boston, we look at them from a global perspective. Our ever-shrinking, flattening world invites a global focus on almost any issue. But in the United States, national competitiveness is often the key concern driving S&amp;T policy, whereas the global perspective, which comes naturally to many scientists, is given short shrift. Indeed, a host of topics come to the fore when S&amp;T are viewed globally, including international cooperation on big science projects, economic development, worldwide treatment and prevention of infectious disease, responses to climate change, and mitigation of global warming. In planning the annual meeting, it was evident that all elements had international dimensions, and the meeting reflects this reality.
Core−Corona Structure of Cubic Silsesquioxane-Poly(Ethylene Oxide) in Aqueous Solution:  Fluorescence, Light Scattering, and TEM Studies (2005)

Well-defined amphiphilic cubic silsesquioxane-poly(ethylene oxide) (CSSQ-PEO) was prepared from octakis (dimethylsiloxy)octasilsesquioxane (Q8M8(H)) and allyl-PEO through a hydrosilylation reaction. The structure of CSSQ-PEO was characterized by nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), and gel permeation chromatography (GPC). The amphiphilic properties and aggregation process of CSSQ-PEO in aqueous solution were investigated by fluorescence, dynamic and static light scattering (DLS and SLS), and transmission electron microscopy (TEM). The critical aggregation concentration (CAC) determined by fluorescence measurements was found to be 0.28 mg/mL. Combinations of DLS, SLS, and TEM studies showed the existence of core-corona micelle with hydrophobic CSSQ as the core and hydrophilic PEO as the corona in aqueous solution. The observation of two size distribution peaks from DLS measurements revealed the coexistence of small amounts of unassociated unimolecular micelles (approximately 10% of the scattered intensity) together with micellar aggregates when the CSSQ-PEO concentration was < or = 2 mg/mL. The hydrodynamic radii (R(h)) of unassociated unimolecular micelle and micellar aggregates were found to be 26 and 79 nm, respectively. A large R(g)/R(h) ratio (1.46) and the extremely small value of average chain density (4 x 10(-4) g/cm3) indicate the small hydrophobic CSSQ core was surrounded by the extended PEO coronae. The aggregation number (N(agg)) of CSSQ-PEO in aqueous solution was found to be 38 +/- 2 from SLS and 31-40 from TEM, respectively. The long PEO segments act as a spacer between the spherical aggregates, which facilitate the formation of a network-like structure at high concentration.