gebhart/patrepeval huggingface dataset:
Comparison of Isoelectronic 8-HO-G and 8-NH2-G Derivatives in Redox Processes (2009)

8-Oxo-7,8-dihydroguanine (8-oxo-G) is the major lesion of oxidatively generated DNA damage. Despite two decades of intense study, several fundamental properties remain to be defined. Its isoelectronic 8-aminoguanine (8-NH(2)-G) has also received considerable attention from a biological point of view, although its chemistry involving redox processes remains to be discovered. We investigated the one-electron oxidation and one-electron reduction reactions of 8-oxo-G and 8-NH(2)-G derivatives. The reactions of hydrated electrons (e(aq)(-)) and azide radicals (N(3)(*)) with both derivatives were studied by pulse radiolysis techniques, and the transient absorption spectra were assigned to specific tautomers computationally by means of time-dependent DFT (TD-B3LYP/6-311G**//B1B95/6-31+G**) calculations. The protonated electron adducts of 8-NH(2)-G and 8-oxo-G showed a substantial difference in their absorption spectra, the unpaired electron being mainly delocalized in the imidazolyl ring and in the six-membered ring, respectively. On the other hand, the deprotonated forms of one-electron oxidation of 8-NH(2)-G and 8-oxo-G showed quite similar spectral characteristics. In a parallel study, the one-electron reduction of 8-azidoguanine (8-N(3)-G) afforded the same transient of one-electron oxidation of 8-NH(2)-G, which represents another example of generation of one-electron oxidized guanine derivatives under reducing conditions. Moreover, the fate of transient species was investigated by radiolytic methods coupled with product studies and allowed self- and cross-termination rate constants associated with these reactions to be estimated.
In-situ multi-modal microscopy using finely focused ion and electron beams (2021)

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A platform for the description, distribution and analysis of genetic polymorphism data (2003)

In this paper we suggest the requirements for an open platform designed for the description, distribution and analysis of genetic polymorphism data. This platform is discussed in terms of our implementation of a phenotypic prediction pipeline with general application to the understanding of genetic variation.
Halyomorpha halys (Stål) (2018)

Halyomorpha halys, the brown marmorated stink bug, is a pentatomid species native to Asia, specifically China, Japan, Korea, Myanmar, Taiwan, and Vietnam. Outside North America, it has been found in shipments from the United States and Asia to New Zealand and Australia, has been detected or become established in several European countries and in Santiago, Chile, and has become an agricultural pest in northern Italy. Biological invasion represents a major threat to biodiversity and ecosystem functioning, resulting in great economic losses. Spatial attributes affecting the large-scale movement, distribution, and potential range of Halyomorpha halys include annual mean temperature, maximum temperature of warmest month, minimum temperature of the coldest month, annual precipitation, annual mean radiation, wetland rights-of-way, urban developments, railroads, and elevation. Halyomorpha halys is well-known for causing nuisance problems, as large numbers of adults often invade human-made structures to overwinter inside protected environments. Adults of Halyomorpha halys move into orchards or other crops when the sugar content of fruit increases.
Rat interleukin-10: production and characterisation of biologically active protein in a recombinant bacterial expression system. (2001)

Interleukin-10 is an anti-inflammatory Th1 immunosuppressive cytokine, the active form of which is a non-covalent homodimer, and which exhibits species-specificity both with respect to structure and biological activity. The rat homologue of IL-10 shares 73% identity with human IL-10 at the amino-acid sequence level, and has, in addition to the two disulphide bonds present in human IL-10, a fifth, unpaired cysteine (cys-149). Preparation of rat IL-10 by bacterial expression followed by solubilisation and refolding in a glutathione redox system, results in a molecule in which cys-149 is almost entirely oxidised, existing either as disulphide dimer or as a mixed disulphide with glutathione, and which has less than 1% of the activity of the native (cys-149-SH) form of the molecule. Site directed mutagenesis of rat IL-10 to replace cys-149 with tyrosine produces a molecule which readily adopts the active conformation upon solubilisation and refolding, and which is recoverable in good yield from bacterial expression systems. Comparison of the biological activities of rat IL-10tyr149 and commercial rat IL-10 preparations confirms that the activity of native-sequence rat IL-10 is either reduced or absent. It is proposed therefore that the biosynthetic analogue rat IL-10tyr149 is a more useful molecule to investigate the biological actions of IL-10 in the rat.
Photoemission and quantum chemical study ofSrTiO3(001)surfaces and their interaction withCO2 (2008)

The electronic structure of ${\text{SrTiO}}_{3}$ single-crystal surfaces and their interaction with ${\text{CO}}_{2}$ at room temperature is studied by angle-resolved x-ray and ultraviolet photoelectron spectroscopies (XPS and UPS) and density-functional theory (DFT). ${\text{CO}}_{2}$ exposure results in spectral features in the $\text{O}\text{ }1s$ and $\text{C}\text{ }1s$ core levels with a binding-energy separation $\ensuremath{\Delta}{E}_{(\text{O}\text{ }1s\ensuremath{-}\text{C}\text{ }1s)}=242.1\ifmmode\pm\else\textpm\fi{}0.2\text{ }\text{eV}$. No measurable influence of ${\text{CO}}_{2}$ exposure on Sr and Ti core level spectra is observed. Adsorbate induced changes in XPS core levels and UPS valence-band spectra do not support ${\text{SrCO}}_{3}$ formation. Surface sites and bonding geometry of chemisorbed ${\text{CO}}_{2}$ on ${\text{SrTiO}}_{3}(001)$ surfaces are investigated using DFT-adsorbate-slab calculations and the calculated surface density of states compared to UPS spectra. On defect free surfaces and at lower coverages $(\ensuremath{\Theta}&lt;0.2)$, ${\text{CO}}_{2}$ is predicted to strongly bond $({E}_{\text{ads}}\ensuremath{\sim}\ensuremath{-}1\text{ }\text{eV})$ to both SrO and ${\text{TiO}}_{2}$ terminated surfaces in a monodentate structure with the C atom above a lattice oxygen. Adsorption energies, electron transfer to adsorbate, and bonding geometry are found to be strongly coverage dependent with smaller adsorption energies on ${\text{TiO}}_{2}$ terminated surfaces at higher coverages. These results have important implications for the identification of metal-carbonate layers on perovskite-structure metal titanate materials by photoemission spectroscopies.
The Effect ofMsh2Knockdown on Toxicity Induced bytert-Butyl-hydroperoxide, Potassium Bromate, and Hydrogen Peroxide in Base Excision Repair Proficient and Deficient Cells (2013)

The DNA mismatch repair (MMR) and base excision repair (BER) systems are important determinants of cellular toxicity following exposure to agents that cause oxidative DNA damage. To examine the interactions between these different repair systems, we examined whether toxicity, induced by t-BOOH and KBrO3, differs in BER proficient (Mpg (+/+), Nth1 (+/+)) and deficient (Mpg (-/-), Nth1 (-/-)) mouse embryonic fibroblasts (MEFs) following Msh2 knockdown of between 79 and 88% using an shRNA expression vector. Msh2 knockdown in Nth1 (+/+) cells had no effect on t-BOOH and KBrO3 induced toxicity as assessed by an MTT assay; knockdown in Nth1 (-/-) cells resulted in increased resistance to t-BOOH and KBrO3, a result consistent with Nth1 removing oxidised pyrimidines. Msh2 knockdown in Mpg (+/+) cells had no effect on t-BOOH toxicity but increased resistance to KBrO3; in Mpg (-/-) cells, Msh2 knockdown increased cellular sensitivity to KBrO3 but increased resistance to t-BOOH, suggesting a role for Mpg in removing DNA damage induced by these agents. MSH2 dependent and independent pathways then determine cellular toxicity induced by oxidising agents. A complex interaction between MMR and BER repair systems, that is, exposure dependent, also exists to determine cellular toxicity.
Tracking a Volcano: Satellite Observations of Piton de la Fournaise : Feature Articles (2002)

NASA satellite data from Terra and Landsat provide a unique perspective on the 2002 eruption of the Piton de la Fournaise volcano.
A New Hyper-Heuristic Based on a Restless Multi-armed Bandit for Multi-objective Optimization (2017)

Hyper-Heuristic is a high-level methodology that automates the selection or generation of other heuristics. Despite their success, there are only a few hyper-heuristics developed for multi-objective optimization. Our approach, namely MOEA/DRMAB, is a multi-objective selection hyper-heuristic that expands the MOEA/D framework. It uses an innovative Restless Multi- Armed Bandit (MAB) to determine the low level heuristic (Differential Evolution mutation strategy) that should be applied to each individual during a MOEA/D execution. The advantage of using a Restless MAB is that it is able to better model and tackle the operators dynamic behavior. We tested MOEA/D-RMAB in a well established set of 10 instances from the CEC 2009 MOEA Competition. Pareto compliant indicators and Mann- Whitney statistical tests are applied to evaluate the algorithm performances. Results show that MOEA/D-RMAB outperforms some important multi-objective optimization algorithms, including MOEA/D-FRRMAB (a prominent MOEA/D variation which uses a classical MAB operator selection), becoming a promising multi-objective Hyper-Heuristic.
Objects and Occlusion from Motion Labeling (2004)

The problem of segmenting color video sequences is addressed. Boundary motion and occlusion relations expressed\nby labeling rules are argued to be of key importance for segmentation. Interframe motion of object(s)\nand background is approximated by a similarity or affine transforms. The computation proceeds in several steps:\n(1) color gradient edges are fuzzy-clustered according to their motion; (2) boundaries of regions formed by a\ncolor segmenter are assigned weights and labeled according to their motion; (3) un-ambiguously moving regions\nand “conflict” regions are identified by a label relaxation procedure; (4) ambiguities and conflicts are resolved\nby multiframe analysis.
Breeding Perennial Grain Crops (2002)

Referee: Ms. Peggy Wagoner, Rodale Institute, 611 Siegfriedale Road, Kutztown, PA 19530-9749 One-third of the planet's arable land has been lost to soil erosion in recent decades, and the pace of this degradation will increase as the limits of our food production capacity are stretched. The persistent problem of worldwide soil erosion has rekindled interest in perennial grain crops. All of our current grain crops are annuals; therefore, developing an array of new perennial grains - grasses, legumes, and others – will require a long-term commitment. Fortunately, many perennial species can be hybridized with related annual crops, allowing us to incorporate genes of domestication much more quickly than did our ancestors who first selected the genes. Some grain crops — including rye, rice, and sorghum — can be hybridized with close perennial relatives to establish new gene pools. Others, such as wheat, oat, maize, soybean, and sunflower, must be hybridized with more distantly related perennial species and genera. Finally, some perennial species with relatively high grain yields &mdash; intermediate wheatgrass, wildrye, lymegrass, eastern gamagrass, Indian ricegrass, Illinois bundleflower, Maximilian sunflower, and probably others — are candidates for direct domestication without interspecific hybridization. To ensure diversity in the field and foster further genetic improvement, breeders will need to develop deep gene pools for each crop. Discussions of breeding strategies for perennial grains have concentrated on allocation of photosyn-thetic resources between seeds and vegetative structures. However, perennials will likely be grown in more diverse agro-ecosystems and require arrays of traits very different from those usually addressed by breeders of annuals. The only way to address concerns about the feasibility of perennial grains is to carry out breeding programs with adequate resources on a sufficient time scale. A massive program for breeding perennial grains could be funded by diversion of a relatively small fraction of the world's agricultural research budget.
ChemInform Abstract: Electrochemical Oxidative Substitution and Dimerization of 1‐Arylazo2‐naphthols, Leading to a New Synthesis of Some Unsymmetrical Diarylamines. (1987)

Abstract The arylazonaphthols (I) undergo electrochemical oxidation, producing the radical cation (II).
Myocardial performance after arterial switch operation for transposition of the great arteries with intact ventricular septum. (1988)

Left ventricular dimensions, wall thickness, wall stress, and indexes of afterload, preload, contractility, and early diastolic function, as well as regional wall motion, were determined by echocardiographic methods in patients with transposition of the great vessels after arterial switch operation and in age-matched normal controls. In patients evaluated early after surgery, body surface area-adjusted left ventricular dimensions were smaller, and wall thickness was increased compared with controls. Ventricular performance (fractional shortening) was normal in most patients but was abnormally low in 10%. Nevertheless, contractility was normal or augmented in all subjects, with a mean value higher than the control group. The reduction in systolic function was related to altered loading conditions with a combination of reduced afterload and preload combined with augmented contractility. These altered myocardial mechanics appeared to be secondary to routine therapy with digitalis and diuretics. Diastolic function was also normal with differences in the rate of peak filling and rate of wall thinning entirely attributable to differences in ventricular size and function, and normalized indexes of diastolic function were not different between patients and controls. Patients evaluated late after repair were found to have normal regional wall motion with no evidence to suggest regional dysfunction as might be seen with regional ischemia. Ventricular size, wall thickness, systolic function, afterload, preload, contractility, and early diastolic function were indistinguishable from control values. Indexes of diastolic function demonstrated the same relation to age, body surface area, and ventricular size and function in both patients and controls.(ABSTRACT TRUNCATED AT 250 WORDS)
Human CD38, a leukocyte receptor and ectoenzyme, is a member of a novel eukaryotic gene family of nicotinamide adenine dinucleotide+-converting enzymes: extensive structural homology with the genes for murine bone marrow stromal cell antigen 1 and aplysian ADP-ribosyl cyclase. (1997)

The human leukocyte Ag CD38 is a 45-kDa type II membrane glycoprotein that functions both as a transmembrane signaling receptor and as an ectoenzyme. CD38 can transmit positive or negative signals regulating T and B lymphocyte proliferation and differentiation and can enzymatically convert nicotinamide adenine dinucleotide to cyclic ADP-ribose, a potent intracellular calcium releaser. To begin the genetic analysis of CD38, we have isolated and characterized the human CD38 gene, previously mapped to chromosome 4. Human CD38 is encoded by a single copy gene that extends over > 62 kb and consists of eight exons and seven introns, including a very long intron that interrupts the 5' coding region. The 5' upstream region of the gene is characterized by the absence of canonical TATA and CAAT boxes, the presence of a GC-rich tract immediately upstream of the initiator codon, several transcription start sites, and potential binding sites for the immunologic transcription factors T cell-specific transcription factor alpha, nuclear factor-IL-6, and interferon responsive factor-1. Comparison of the genomic structure of human CD38 with that of the genes for murine bone marrow stromal Ag bone marrow stromal cell antigen 1/BP-3 and aplysian ADP-ribosyl cyclase, which encode proteins related to CD38 in sequence and function, reveals their striking structural similarity. This strongly suggests that the three genes evolved from a common ancestor from which CD38 and bone marrow stromal cell antigen 1 arose by gene duplication before the divergence of humans and rodents.
Small folded CPW fed slot antennas (2006)

In this paper the folded slot and shorting pin concepts are combined to create a small, uni-planar radiating solution. It is found that by using a shorting conductor across the aperture of the folded slot we could reduce the number of folds required to achieve a solution with an input impedance of 50 Omega. The size of the shorting conductor directly impacted the number of folds required and thus the overall size of the low profile radiator; the larger the shorting conductor the smaller the number of folds and therefore the smaller the overall size of the antenna. Although a consequence of using this size reduction technique is a reduction in antenna bandwidth and efficiency, this is expected and no different to that observed for any size reduction scheme
Effect of imipramine on liver function tests. (1990)

Etude retrospective dans le cadre de l'hepatotoxicite induite par les antidepresseurs. Differents tests de la fonction hepatique sont utilises, chez des patients traites chroniquement par imipramine
Evaluating Interfacial Layer Thickness from Phonon Characteristics of Novel Carbon-Based Strained Superlattices (2023)

Systematic results of lattice dynamical calculation are reported for the novel (SiC)m/(GeC)n superlattices (SLs) by exploiting a modified-linear chain model (M-LCM) and a realistic rigid-ion- model (RIM). By employing the bond polarizability method in the framework of M-LCM, we have simulated Raman intensities for the graded (SiC)10-D/(Si0.5Ge0.5C)D/(GeC)10-D/(Si0.5Ge0.5C)D SLs by carefully integrating interfacial layer thickness D (≡ 0, 1, 2, 3 monolayers (MLs)). The variation of D has initiated considerable up (down) shifts of GeC-, (SiC)-like Raman peaks in the middle of the optical phonon frequency region. With D = 3 MLs, the maximum energy shift (by ~ 47 cm-1) of SiC-like modes has caused substantial changes in the Raman intensity profiles linked to the localization of atomic displacements at the interfacial transition regions. This effect can be considered as a vital tool for authenticating the interfacial structures in technologically important SLs. By using a RIM, we have reported SL phonon dispersions along the growth [001] as well as in the plane [100], [110] perpendicular to the growth. Our simulations of phonons in the acoustic mode region have not only confirmed the formation of minigaps at the zone center and zone edges but also provided evidence of anti-crossing and phonon confinement. Besides examining angular dependence of zone-center optical modes, we have also discussed phonon folding, confinement and anisotropic behavior in (SiC)m/(GeC)n SLs.
A Compressive Sensing-Based Approach for Millimeter-Wave Imaging Compatible with Fourier-Based Image Reconstruction Techniques (2022)

The unique characteristics of the millimeter-wave (mmW) frequency band have led to its widespread use in various fields such as communications, imaging, and wireless sensing. This paper addresses two different mmW imaging structures, monostatic and multistatic, in the face of a sparse spatial sampling scenario. By using compressive sensing theory, a solution for image reconstruction, consistent with fast Fourier-based techniques, is presented with compressed data obtained from monostatic imaging. This solution is then generalized to a multiple-input multiple-output (MIMO) imaging case using a multistatic-to-monostatic conversion. Reconstructed images from numerical and experimental data show the satisfactory performance of the presented approach.
Writing Research Reports (2017)

Clear writing makes manuscripts easier to understand. Clear writing enhances research reports, increasing clinical adoption and scientific impact. We discuss styles and organization to help junior investigators present their findings and avoid common errors.
Charge-transfer salts based on BET-TTF and the linear ions AuX2− (X = Br, I) (1995)

The organic π-electron donor E-bis(ethylenethio)-tetrathiafulvalene (BET-TTF) forms several charge-transfer salts with linear AuX2− (X = Br, I) counterions. Experimental conditions significantly affect the shape and the composition of the charge-transfer crystals. In fact, salts with different stoichiometries are obtained from each counterion. The magnetic behavior of the obtained salts have been studied by EPR spectroscopy. The EPR parameters (g, and ΔHpp) of different mixed valence salts with the same counterion are very similar. The crystal structure of (BET-TTF)AuBr2 has been determined by X-Ray diffraction: triclinic system, P-1, Z=1, a = 5.790(4)Å, b = 7.786(3)Å, c = 9.716(8)Å, α = 75.11(5)°, β = 89.30(4)°, γ = 77.20(5)°, V = 395.5(5)Å3. Single crystal electrical conductivity measurements of (BET-TTF)2AuBr2 show that this salt exhibits a semiconducting behavior with a σ(300) = 1.1 Scm−1 and an energy gap of 0.14 eV.
(O16,C12) Studies in the2s−1dShell (1972)

Angular distributions were measured for the (${\mathrm{O}}^{16}$, ${\mathrm{C}}^{12}$) reactions on ${\mathrm{Mg}}^{24,26}$, ${\mathrm{Al}}^{27}$, and ${\mathrm{Si}}^{28}$ at 42 MeV. States in the "$\ensuremath{\alpha}$-particle" nuclei ${\mathrm{Si}}^{28}$ and ${\mathrm{S}}^{32}$ were populated strongly for $0&lt;~{E}_{x}&lt;~11$ MeV, while cross sections for transitions to states in ${\mathrm{Si}}^{30}$ and ${\mathrm{P}}^{31}$ were small. The ${\mathrm{Si}}^{28}$ and ${\mathrm{S}}^{32}$ ground-state angular distributions are sharply oscillatory in nature. The 4.43-MeV state of ${\mathrm{C}}^{12}$ is strongly excited in the reaction ${\mathrm{Mg}}^{24}$(${\mathrm{O}}^{16}$, ${\mathrm{C}}^{12}$)${\mathrm{Si}}^{28}$, but not in the others.
Minor Copper-Doped Aluminum Alloy Enabling Long-Lifetime Organic Light-Emitting Diodes (2022)

Aluminum has been extensively used as a conductor material in numerous electronic devices, including solar cells, light-emitting diodes (LEDs), organic LEDs (OLEDs), and thin-film transistors. However, its spiking surface and easy electromigration have limited its performance. To overcome this, a trace amount of nonprecious copper dopant has been proven effective in enhancing device reliability. Nevertheless, a comprehensive investigation regarding the effect of copper doping on the morphology at the aluminum conductor-organic interface is yet to be done. We had hence fabricated a series of green OLED devices to probe how copper doping affected the aluminum conductor, morphologically and electrically, and the corresponding device's efficiency and lifetime performance. We found 4 wt % copper doping to be highly effective in enabling a spike-less and smoother aluminum interface, which in turn enabled the fabrication of devices with much higher efficiency and lifetime. Specifically, the corresponding power efficacy at 1000 cd/m<sup>2</sup> was increased from 32 to 42 lm/W and the lifetime increased from 75 to 263 h, an increment of 250%. Atomic force microscopy confirmed that the copper doping did help smooth out the conductor interface as deposited and reduce electromigration upon operation.
Equation‐of‐state parameters for pure polymers by molecular dynamics simulations (1999)

Abstract Two new procedures, based on molecular mechanics and molecular dynamics computer simulations, are presented for estimating the PHSCT EOS and the LF EOS parameters of a set of four polymers of industrial relevance and to predict their PVT behavior. These new, original methods offer good results, are relatively inexpensive, are absolutely general, and can be applied in principle to any equation of state, provided the model parameters have a well‐defined physical meaning.