gebhart/patrepeval huggingface dataset:
Chemical Factors that Control Lignin Polymerization (2013)

Lignin is a complex, branched polymer that reinforces plant tissue. Understanding the factors that govern lignin structure is of central importance to the development of technologies for converting lignocellulosic biomass into fuels because lignin imparts resistance to chemical, enzymatic, and mechanical deconstruction. Lignin is formed by enzymatic oxidation of phenolic monomers (monolignols) of three main types, guaiacyl (G), syringyl (S), and p-hydroxyphenyl (H) subunits. It is known that increasing the relative abundance of H subunits results in lower molecular weight lignin polymers and hence more easily deconstructed biomass, but it is not known why. Here, we report an analysis of frontier molecular orbitals in mono-, di-, and trilignols, calculated using density functional theory, which points to a requirement of strong p-electron density on the reacting phenolic oxygen atom of the neutral precursor for enzymatic oxidation to occur. This model is consistent with a proton-coupled electron transfer (PCET) mechanism and for the first time explains why H subunits in certain linkages (β-β or β-5) react poorly and tend to "cap" the polymer. In general, β-5 linkages with either a G or H terminus are predicted to inhibit elongation. More broadly, the model correctly accounts for the reactivity of the phenolic groups in a diverse set of dilignols comprising H and G subunits. Thus, we provide a coherent framework for understanding the propensity toward growth or termination of different terminal subunits in lignin.
3-Demethoxy-3-glycosylaminothiocolchicines:  Synthesis of a New Class of Putative Muscle Relaxant Compounds (2006)

A novel class of 3-demethoxy-3-glycosylaminothiocolchicines (7) was prepared and tested for muscle relaxant activity. The syntheses were performed starting from the new 3-amino-3-demethoxythiocolchicine (5) prepared in good yield from 3-O-demethylthiocolchicine (1c) using the Buchwald-Hartwig reaction. The condensation of 5 with a series of pentose and hexose sugars (6) gave a series of 3-demethoxy-3-glycosylaminothiocolchicines (7). Their preparation was accomplished by adapting and improving a previous procedure for the preparation of N-arylglycosylamines. In particular, replacing traditional heating with microwave irradiation represents the key improvement of the process. The biological activity of the 3-demethoxy-3-glycosylaminothiocolchicines (7) was evaluated on GABA and strychnine-sensitive glycine receptors present in rat brain and spinal cord.
Open Access: Strengths, Weaknesses, Opportunities, and Threats. An Editorial (2020)

Abstract. About a year after launching Magnetic Resonance it seems appropriate to publish a few editorial remarks about the strengths, weaknesses, opportunities, and threats of Open Access, motivated by an analysis of the Ethics Committee of the French CNRS and by a debate organized by the Royal Dutch Academy of Science.
Disposition of a New Tamibarotene Prodrug in Mice (2009)

Recently, a new compound IT-M-07000 was designed as a prodrug of tamibarotene, one of the therapeutic agents for acute promyelocytic leukemia. In the present study, IT-M-07000 was administered to mice to investigate whether it is actually metabolized to tamibarotene. Its metabolic pathway and the utility as a tamibarotene prodrug were also evaluated. After oral administration of IT-M-07000, IT-M-07000, tamibarotene and two compounds that were supposed to be metabolic intermediates in a β-oxidation pathway of IT-M-07000 to tamibarotene were detected in mouse plasma. It was thus shown that IT-M-07000 is probably β-oxidized to tamibarotene in mice. Comparison of tamibarotene concentration profiles after oral administration of IT-M-07000 or tamibarotene showed that the plasma tamibarotene concentration increased slower and was retained stable, and the area under the plasma concentration–time curve (AUC) of tamibarotene was larger in mice administered IT-M-07000 than tamibarotene. These results indicate that IT-M-07000 is possibly useful as a prodrug of tamibarotene.
Supplemental Table 1 from Detection of Therapeutically Targetable Driver and Resistance Mutations in Lung Cancer Patients by Next-Generation Sequencing of Cell-Free Circulating Tumor DNA (2023)

&lt;p&gt;Circulating tumor DNA next-generation sequencing gene coverage&lt;/p&gt;
Wing Force & Moment Characterization of Flapping Wings for Micro Air Vehicle Application (2005)

Abstract : This paper presents a general method for investigating the unsteady aerodynamics of flapping wings for micro air vehicle application. For this purpose, a dynamically scaled robotic flapper was designed and fabricated which can flap the wings in a desired kinematic pattern. A quasisteady aerodynamic model and wing testing methodology was developed based on unsteady aerodynamic mechanisms. This model additionally accounts for the wing twisting. The experimental results show a good agreement with published data. 24 kinematic patterns were tested and the quasi-steady aerodynamic model compares well with the experimental results. The focus of the present work is on hovering flight, however, the methodology is general and can be extended to slow forward flight in future.
Experimental Higher-Order Interference in Quantum Mechanics Induced by Optical Nonlinearities (2021)

The double-slit experiment is a direct demonstration of interference between quantum objects. Of course, interference is also observed in experiments using multiple slits. However, according to quantum theory, the interference patterns produced using such multi-slits can all be explained in terms of interference between pairs of slits [1] , [2] . Interestingly, there are proposed versions of quantum theory—so-called higher-order theories—wherein this is not possible [3] . In such theories the "third-order" interference (with three or more slits open) is genuinely different from second-order interference. Here we show that standard quantum mechanics actually allows for apparent high-order interference, if one considers nonlinear effects. Note, that another mechanism for this has also recently been shown based on so-called looped trajectories [4] – [6] .
Theoretical Studies on Nanocrystalline Diamond:  Nucleation by Dicarbon and Electronic Structure of Planar Defects (1999)

Density functional theory and ab initio molecular orbital theory have been used to calculate the energetics of C2 insertion into C9H12 and C9H14 clusters that model unhydrided and monohydrided (100) diamond surfaces, respectively. The reaction of C2 with either the C9H12 or C9H14 cluster is exothermic by more than 100 kcal/mol, but the lowest energy product is different for the two clusters. The reaction of singlet C2 with the CC double bond of the C9H12 cluster leads to either carbene structures or a cyclobutyne-like structure, with the former having the lower energy at both the HF/6-31G* and B3LYP/6-31G* levels of theory. No barrier for insertion into the CC double bond of the C9H12 cluster was found at the HF/6-31G* and B3LYP/6-31G* levels of theory. The reaction of singlet C2 with the HC−CH single bond or C−H bonds of the C9H14 cluster leads to a structure having a cyclobutene-like geometry. We propose that the disparate nucleation rates of diamond crystallites grown in hydrogen-rich vs hydrogen-poor C60/Ar microwave plasmas are accounted for qualitatively by these results. The carbon dimer, C2, is a possible growth or nucleation species produced by fragmentation of C60. Periodic density functional calculations of the electronic structure of a simple model of an sp2-bonded diamond grain boundary show that π-bonded planar defects introduce new electronic bands into the fundamental band gap of diamond.
Genetic mechanisms in carcinogenesis and tumor progression : proceedings of a Genentech-UCLA Symposium held at Keystone, Colorado, January 21-27, 1989 (1990)

Gene Regulation and Differentiation Carcinogenesis Tumor Progression Extended Abstracts of Meeting-Related Articles.
CD4-T cell enumeration in human immunodeficiency virus (HIV)-infected patients: A laboratory performance evaluation of Muse Auto CD4/CD4% system by World Health Organization prequalification of in vitro diagnostics (2019)

The Muse Auto CD4/CD4% System performed very well on fresh venous blood samples and met all WHO acceptance criteria for analytical performance of CD4 technologies.
Backpropagation-Friendly Eigendecomposition (2019)

Eigendecomposition (ED) is widely used in deep networks. However, the backpropagation of its results tends to be numerically unstable, whether using ED directly or approximating it with the Power Iteration method, particularly when dealing with large matrices. While this can be mitigated by partitioning the data in small and arbitrary groups, doing so has no theoretical basis and makes its impossible to exploit the power of ED to the full. In this paper, we introduce a numerically stable and differentiable approach to leveraging eigenvectors in deep networks. It can handle large matrices without requiring to split them. We demonstrate the better robustness of our approach over standard ED and PI for ZCA whitening, an alternative to batch normalization, and for PCA denoising, which we introduce as a new normalization strategy for deep networks, aiming to further denoise the network's features.
Cardiovascular magnetic resonance perfusion imaging at 3 Tesla for the detection of coronary artery disease: A comparison with 1.5 Tesla (2007)

OBJECTIVES: This study was designed to establish the diagnostic accuracy of cardiovascular magnetic resonance (CMR) perfusion imaging at 3-Tesla (T) in suspected coronary artery disease (CAD). BACKGROUND: Myocardial perfusion imaging is considered one of the most compelling applications for CMR at 3-T. The 3-T systems provide increased signal-to-noise ratio and contrast enhancement (compared with 1.5-T), which can potentially improve spatial resolution and image quality. METHODS: Sixty-one patients (age 64 +/- 8 years) referred for elective diagnostic coronary angiography (CA) for investigation of exertional chest pain were studied (before angiogram) with first-pass perfusion CMR at both 1.5- and 3-T and at stress (140 microg/kg/min intravenous adenosine, Adenoscan, Sanofi-Synthelabo, Guildford, United Kingdom) and rest. Four short-axis images were acquired during every heartbeat using a saturation recovery fast-gradient echo sequence and 0.04 mmol/kg Gd-DTPA bolus injection. Quantitative CA served as the reference standard. Perfusion deficits were interpreted visually by 2 blinded observers. We defined CAD angiographically as the presence of &amp;gt; or =1 stenosis of &amp;gt; or =50% diameter in any of the main epicardial coronary arteries or their branches with a diameter of &amp;gt; or =2 mm. RESULTS: The prevalence of CAD was 66%. All perfusion images were found to be visually interpretable for diagnosis. We found that 3-T CMR perfusion imaging provided a higher diagnostic accuracy (90% vs. 82%), sensitivity (98% vs. 90%), specificity (76% vs. 67%), positive predictive value (89% vs. 84%), and negative predictive value (94% vs. 78%) for detection of significant coronary stenoses compared with 1.5-T. The diagnostic performance of 3-T perfusion imaging was significantly greater than that of 1.5-T in identifying both single-vessel disease (area under receiver-operator characteristic [ROC] curve: 0.89 +/- 0.05 vs. 0.70 +/- 0.08; p &amp;lt; 0.05) and multivessel disease (area under ROC curve: 0.95 +/- 0.03 vs. 0.82 +/- 0.06; p &amp;lt; 0.05). There was no difference between field strengths for the overall detection of coronary disease (area under ROC curve: 0.87 +/- 0.05 vs. 0.78 +/- 0.06; p = 0.23). CONCLUSIONS: Our study showed that 3-T CMR perfusion imaging is superior to 1.5-T for prediction of significant single- and multi-vessel coronary disease, and 3-T may become the preferred CMR field strength for myocardial perfusion assessment in clinical practice.
Tailored Design of Bicontinuous Gyroid Mesoporous Carbon and Nitrogen‐Doped Carbon from Poly(ethylene oxide‐b‐caprolactone) Diblock Copolymers (2017)

Highly ordered mesoporous resol-type phenolic resin and the corresponding mesoporous carbon materials were synthesized by using poly(ethylene oxide-b-caprolactone) (PEO-b-PCL) diblock copolymer as a soft template. The self-assembled mesoporous phenolic resin was found to form only in a specific resol concentration range of 40-70 wt % due to an intriguing balance of hydrogen-bonding interactions in the resol/PEO-b-PCL mixtures. Furthermore, morphological transitions of the mesostructures from disordered to gyroid to cylindrical and finally to disordered micelle structure were observed with increasing resol concentration. By calcination under nitrogen atmosphere at 800 °C, the bicontinuous mesostructured gyroid phenolic resin could be converted to mesoporous carbon with large pore size without collapse of the original mesostructure. Furthermore, post-treatment of the mesoporous gyroid phenolic resin with melamine gave rise to N-doped mesoporous carbon with unique electronic properties for realizing high CO<sub>2</sub> adsorption capacity (6.72 mmol g<sup>-1</sup> at 0 °C).
Reactions of Arylhydroxylamines and Related Compounds with Benzene. Iminium-benzenium Ions and Phenoxenium Ions (1982)

N-Arylhydroxylamines react with benzene in the presence of an acid. In the presence of trifluoroacetic acid (TFA), the reaction center is the nitrogen atom and nucleophilic attack by benzene proceeds at the nitrogen atom of the O-protonated N-phenylhydroxylamine. When TFA was replaced by trifluoromethanesulfonic acid (TFSA), the major products were aminobiphenyls. Together with the results obtained in the reaction of N, N-dimethylaniline N-oxide, it was demonstrated that the reactive intermediates are onium-benzenium ions which easily react with benzene and other aromatic compounds. Various iminium-benzenium ions were posturated in the reaction of nitroso-, azo-, azoxy-, and even nitrobenzenes with benzene. 1-Nitronaphthalene gave 1-(N, N-dihydroxyiminium)-benzenium ion in TFSA. The acid-catalyzed solvolytic reaction of O-aryl-N-acyl-or-N-sulfonylhydroxylamines formed highly delocalyzed phenoxenium ions, which react with nucleophiles such as benzene, phenol, anisole, alcohols, thiol, acetic acid, and acetonitrile. A few examples of synthetic application of these reactions were demonstrated : dibenzoazepines, aporysopine, aporphines, pyridocarbazole, orchinol and loroglossol were synthesized.
Dibenzopyrrolo[1,2-a][1,8]naphthyridines: Synthesis and Structural Modification of Fluorescent L-Shaped Heteroarenes (2017)

The L-shaped, π-extended pentacycle dibenzopyrrolo[1,2-a][1,8]naphthyridine and its derivatives were synthesized using two methods: fully intramolecular [2 + 2 + 2] cycloaddition and oxidative aromatization using substituted carbodiimide and modification of an electron-rich indole ring of an L-shaped skeleton via electrophilic reaction and cross-coupling. These L-shaped compounds emitted fluorescence in high quantum yield. The position of substituents affected the fluorescence color through two different mechanisms, π-conjugation and skeletal distortion, which caused the substituted L-shaped compounds to emit fluorescence in a variety of colors and to exhibit solvato-fluorochromism.
Effects of Pressure, CO2 Volume, and the CO2 to Water Volumetric Ratio on Permeability Change During CO2 Sequestration (2010)

Abstract Carbon dioxide sequestration in underground formations is being considered on a massive scale to reduce the amount of CO2 emitted into the atmosphere. However, a better understanding of the chemical and physical interactions with formation fluids and rock is necessary before implementing sequestration in a depleted reservoir, aquifer, or during enhanced oil recovery operations. These interactions are affected by many parameters, including pressure, temperature, brine salinity, and CO2 injection rate. They can be evaluated by the change in water composition before and after injection, or from the change in CO2 injectivity over time. CO2 may affect the permeability positively due to carbonate rock dissolution, or negatively due to precipitation of reaction products, mainly CaCO3. CO2 dissolves in the formation brine, generating carbonic acid, which dissolves carbonate rock. Dissolution impacts brine composition, which affects solubility. Calcium carbonate may tend to precipitate with changing concentration of bicarbonates. Precipitation may occur in either EOR operations or during primary CO2 sequestration. Injectivity changes are a concern during EOR operations, while storage capacity and seal integrity are primary concerns during CO2 sequestration. This paper addresses the effect of the pressure, injected CO2 volume, and the CO2 to water volumetric ratio during water alternating gas (WAG) operations on precipitation and the relative impact of dissolution or precipitation on the formation injectivity. A core flood study was conducted using limestone cores. CO2 was injected under supercritical conditions at a pressure of 1,300 psi, and a temperature of 200°F. Core effluent samples were collected and the concentration of calcium ions was measured. The results showed that the outlet pressure had the greatest effect on the bicarbonate presentation. Keeping the outlet pressure below the supercritical pressure of CO2 minimized precipitation of calcium carbonate. Additionally, maintaining the CO2/water volumetric ratio above 1.0, reduced bicarbonate formation in the formation water and helped in minimizing precipitation of calcium carbonate.
ChemInform Abstract: The Interaction of Benzene and Toluene with Rh Dispersed on SiO2, Al2O3, and TiO2 Carriers. (1994)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
High Temperature‐Stable Perovskite Solar Cell Based on Low‐Cost Carbon Nanotube Hole Contact (2017)

Mixed ion perovskite solar cells (PSC) are manufactured with a metal-free hole contact based on press-transferred single-walled carbon nanotube (SWCNT) film infiltrated with 2,2,7,-7-tetrakis(N,N-di-p-methoxyphenylamine)-9,90-spirobifluorene (Spiro-OMeTAD). By means of maximum power point tracking, their stabilities are compared with those of standard PSCs employing spin-coated Spiro-OMeTAD and a thermally evaporated Au back contact, under full 1 sun illumination, at 60 °C, and in a N<sub>2</sub> atmosphere. During the 140 h experiment, the solar cells with the Au electrode experience a dramatic, irreversible efficiency loss, rendering them effectively nonoperational, whereas the SWCNT-contacted devices show only a small linear efficiency loss with an extrapolated lifetime of 580 h.
Low phase noise and wideband oscillators using injection- and frequency-locked loop technique (2017)

This paper presents a novel injection- and frequency-locked loop (IFLL) for reducing phase noise of wideband oscillators, which uses an injection-locked oscillator (ILO) to amplify and phase-shift the feedback signal in the IFLL. In this paper, the frequency domain analysis is presented to characterize the proposed IFLL and compared with the experimental results. Consequently, the oscillators that use the IFLL exhibit remarkable phase noise reduction, which is 5.5-9.3 dB better than that achieved using conventional frequency-locked loops (FLLs) at 1 MHz offset frequency, over a wide operating bandwidth of 54%.
High Frame-rate Dual-wavelength Near-Infrared MR-Guided Dynamic Oximetry Imaging System (2010)

A NIR diffuse optical tomography system with spectrally-encoded sources at two wavelength bands allows simultaneous detection at high speed. It works with MR to provide images of high-contrast, fast changes in tissue oxygen saturation.
Implementation of a dynamic game controller for partially observed discrete-time nonlinear systems (2002)

In this paper the authors describe an implementation of a certainty equivalence controller for a discrete time partially observed dynamic game problem.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
An Efficient Robust Search by Depth Aspect Image Matching (2004)

A novel approach of object recognition is proposed, by which multiple three dimensional objects of range contours with occlusion and/or observation defects are efficiently and robustly recognized in cluttered scene. In our approach, in order to make the object recognition insensitive to peculiar features, such as edges and surface color, a uniform voxel framing has been utilized to define local coordination and to generate local depth structures on the objects, which are called depth aspect images DAI. In this paper, some techniques for efficient object recognition using DAI matching are designed. The first one is hashing of DAI images based on two dimensional hash table by use of local geometric key features, which enables fast search in the DAI database. The second one in recognition is random sampling for the voxel coordination, followed by parameter design with probabilistic modeling of sampling. By use of those two techniques, many redundant candidates for objects can be prevented from matching computation, realizing efficient and robust recognition of multiple objects in the complicated scene. The third one is introduction of support spaces for DAI calculation whichcooperates with a fast statistical evaluation of the similarity. We demonstrate recognition examinations to clutter scenes with a large DAI database involving eight models and verify the effectiveness and efficiency of these techniques through analysis of recognition on 100 scenes.
Measurement of the associated production of a single top quark and a Z boson in pp collisions at s=13TeV (2018)

A measurement is presented of the associated production of a single top quark and a Z boson. The study uses data from proton-proton collisions at s = 13T eV recorded by the CMS experiment, corresponding to an integrated luminosity of 35.9f b 1 . Using final states with three leptons (electrons or muons), the tZq production cross section is measured to be (pp
Exploring photobios (2011)

We present an approach for generating face animations from large image collections of the same person. Such collections, which we call photobios, sample the appearance of a person over changes in pose, facial expression, hairstyle, age, and other variations. By optimizing the order in which images are displayed and cross-dissolving between them, we control the motion through face space and create compelling animations (e.g., render a smooth transition from frowning to smiling). Used in this context, the cross dissolve produces a very strong motion effect; a key contribution of the paper is to explain this effect and analyze its operating range. The approach operates by creating a graph with faces as nodes, and similarities as edges, and solving for walks and shortest paths on this graph. The processing pipeline involves face detection, locating fiducials (eyes/nose/mouth), solving for pose, warping to frontal views, and image comparison based on Local Binary Patterns. We demonstrate results on a variety of datasets including time-lapse photography, personal photo collections, and images of celebrities downloaded from the Internet. Our approach is the basis for the Face Movies feature in Google's Picasa.