gebhart/patrepeval huggingface dataset:
Theoretical Density Functional Analysis of Maleic Anhydride Chemisorption on Pd(111), Re(0001), and Bimetallic PdML/Re(0001) and PdML/Mo(110) Pseudomorphic Overlayers (1999)

Nonlocal density functional theory (DFT) calculations were performed to analyze the di-σ, π, and atop chemisorption modes of maleic anhydride on the close-packed Pd(111), Re(0001), and pseudomorphic monolayers of Pd on Re(0001) [PdML/Re(0001)] and Pd on Mo(110) [PdML/Mo(110)] surfaces. The DFT-computed binding energies for maleic anhydride in the atop, π, and di-σ modes on Pd(111) are −28, −34, and −83 kJ/mol, respectively. The calculated adsorption energy and vibrational frequencies for di-σ adsorption are in good agreement with the UHV-TPD and HREELS data of Xu and Goodman (Langmuir 1996, 12, 1807−1816). The atop, π, and di-σ adsorptions of maleic anhydride on Re(0001) are significantly stronger than on Pd(111), with binding energies of −38, −210, and −200 kJ/mol, respectively. The π adsorption mode of maleic anhydride on Re(0001), in particular, is much stronger than that on Pd(111), due to additional interactions of the carbonyl groups of maleic anhydride with the Re(0001) surface. Adsorption energies for maleic anhydride on the bimetallic Pd/Re(0001) and Pd/Mo(110) surfaces are 10−20 kJ/mol weaker than on monometallic Pd(111). This decrease in the adsorption energy is explained on the basis of formal chemisorption theory. Using the analysis of Hammer and Nørskov (Nature 1995, 376, 238, and In Chemisorption and Reactivity on Supported Clusters and Thin Films; Lambert, R. M., Pacchioni, G., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1997; pp 285−351), the di-σ adsorption energies have been correlated to the location of the d band center for the clean metal surface. Calculations indicate that the strong Pd−Re and Pd−Mo interactions in the bimetallic surfaces shift the d band center for the surface Pd layer away from the Fermi level. This weakens the interaction of the olefinic group of maleic anhydride with the bimetallic PdML/Re(0001) and PdML/Mo(110) surfaces. The only exception is that for π-bound maleic anhydride on the PdML/Mo(110) surface, where the larger Pd−Pd spacing, relative to Pd(111), allows for better overlap of the carbonyl group π-orbitals with the metal d-orbitals. The π-mode binding energy on the PdML/Mo(110) surface is, therefore, stronger than the corresponding binding energy on Pd(111). The results are consistent with the experimental observations of Xu and Goodman (Langmuir 1996, 12, 1807−1816).
Effect of chronic feeding of Remington's diet and fasting on rat plasma composition. (1980)

Rats fed on Remington's low iodine diet (supplemented with iodine) and on rat chow were compared as to their plasma composition. There are significant differences in plasma glycerol, aceto-acetate, beta-hydroxybutyrate and in several amino acid concentrations, mainly lysine and tryptophan. 24 hours of fasting lowered the differences between the groups, but some aspects remained unchanged, i.e. the low lysine and tryptophan concentrations in Remington diet fed rats. The use of the Remington diet therefore, provoked a functional lack of these amino acids, even when their concentration in the diet was higher.
Amiodarone accumulates two cholesterol precursors in myocardium: A controlled clinical study (2023)

Amiodarone treatment caused the accumulation of desmosterol and zymostenol in myocardium. In particular, myocardial desmosterol concentrations were substantially elevated, which may play a part in some of the therapeutic and adverse effects of amiodarone treatment.
Enzymatic Reconstitution and Biosynthetic Investigation of the Lasso Peptide Fusilassin (2018)

Lasso peptides are a class of ribosomally synthesized and post-translationally modified natural product which possess a unique lariat knot conformation. The low entropy "threaded" conformation endows lasso peptides with considerable resistance to heat and proteolytic degradation, which are attractive properties for the development of peptide-based therapeutics. Despite their discovery nearly 30 years ago, the molecular mechanism underlying lasso peptide biosynthesis remains poorly characterized due to the low stability of the purified biosynthetic enzymes. Here, we report the biosynthetic reconstitution of a lasso peptide derived from Thermobifida fusca, termed fusilassin. Beyond robust catalytic activity, the fusilassin enzymes demonstrate extraordinary substrate tolerance during heterologous expression in E. coli and upon purification in cell-free biosynthetic reconstitution reactions. We provide evidence that the fusilassin biosynthetic enzymes are not capable of forming branched-cyclic products but can produce entirely unrelated lasso peptides. Finally, we leveraged our bioinformatic survey of all lasso peptides identified in GenBank to perform coevolutionary analysis of two requisite biosynthetic proteins. This effort correctly identified residues governing an important protein-protein interaction, illustrating how genomic insight can accelerate the characterization of natural product biosynthetic pathways. The fusilassin enzymes described within represent a model system for both designing future lasso peptides of biomedical importance and also for elucidating the molecular mechanisms that govern lasso peptide biosynthesis.
Micromanipulations of Latex in the Dark Field (1931)

Abstract It can be conclusively proved that the individual particle in latex of Hevea brasiliensis after the evaporation of the dispersing agent is surrounded by an adsorbed layer, probably of protein and resin. In the dispersed condition, the particle shows a difficulty penetrable and not deformable surface. After puncture a highly viscous mass flows out from the interior, and at the moment it comes in contact with the dispersing agent it stiffens to a plastic jelly, while the remaining shell exhibits remarkably elastic properties. After the evaporation of the dispersing agent, there occurs a progressive gelation and transformation into an elastic substance. The same result is obtained when the rubber phase is coagulated by acids or electrolytes. The establishment of this fact is important in connection with the usual preparation of raw rubber. It was proved that the consistency of the particles and the thickness of the elastic shell are dependent on the age of the trees. We are dealing not with a definite membrane, but with a variable enveloping shell whose strength seems dependent on the degree of polymerization of the hydrocarbon. In general the results of the present work prove the latest concepts of the structure of rubber, i. e. , the existence of various degrees of polymerization, which can be traced back to the structure of the latex particles.
Effect of Montmorillonite Nanogel Composite Fillers on the Protection Performance of Epoxy Coatings on Steel Pipelines (2017)

Montmorillonite (MMT) clay mineral is widely used as filler for several organic coatings. Its activity is increased by exfoliation via chemical modification to produce nanomaterials. In the present work, the modification of MMT to form nanogel composites is proposed to increase the dispersion of MMT into epoxy matrices used to fill cracks and holes produced by the curing exotherms of epoxy resins. The dispersion of MMT in epoxy improved both the mechanical and anti-corrosion performance of epoxy coatings in aggressive marine environments. In this respect, the MMT surfaces were chemically modified with different types of 2-acrylamido-2-methyl propane sulfonic acid (AMPS) nanogels using a surfactant-free dispersion polymerization technique. The effect of the chemical structure, nanogel content and the interaction with MMT surfaces on the surface morphology, surface charges and dispersion in the epoxy matrix were investigated for use as nano-filler for epoxy coatings. The modified MMT nanogel epoxy composites showed excellent resistance to mechanical damage and salt spray resistance up to 1000 h. The interaction of MMT nanogel composites with the epoxy matrix and good response of AMPS nanogel to sea water improve their ability to act as self-healing materials for epoxy coatings for steel.
Mineralogy and morphology of geologic units at Libya Montes, Mars: Ancient aqueously derived outcrops, mafic flows, fluvial features, and impacts (2012)

Abstract There is ample evidence of both ancient and long‐lasting fluvial activity and chemical alteration in the Libya Montes region south of Isidis Basin. The region hosts Noachian to Amazonian aged surface rocks with extensive outcrops of olivine‐ and pyroxene‐bearing material. Libya Montes also features surface outcrops and/or deposits hosting Fe/Mg‐smectite, Fe/Mg‐smectite mixed with carbonate and/or other Fe/Mg‐rich phyllosilicates, and Al‐smectite. These units likely formed through chemical alteration connected with hydrothermal activity resulting from the formation of the Isidis Basin and/or the pervasive fluvial activity throughout this region. The morphology and stratigraphy of the aqueous and mafic minerals are described using High Resolution Imaging Science Experiment and High Resolution Stereo Camera derived digital terrain models. Analyses of the Compact Reconnaissance Imaging Spectrometer for Mars spectra show variations in the chemistry of the Fe/Mg‐smectite from nontronite‐like exposures with spectral features near 2.29 and 2.4 µm more consistent with Fe 3+ 2 OH groups in the mineral structure, and saponite‐like outcrops with spectral features near 2.31 and 2.38 µm characteristic of Mg 2+ 3 OH groups. These Fe/Mg‐smectite bearing materials also have bands near 1.9 µm due to H 2 O and near 2.5 µm that could be due to the smectite, other phyllosilicates, and carbonates. All regions exhibiting carbonate features near 3.4–3.5 µm also have features consistent with the presence of olivine and Fe/Mg‐smectite, indicating that the carbonate signatures occur in rocks likely containing a mixture of these minerals. The Al‐smectite‐bearing rocks have bands near 1.41, 1.91, and 2.19 µm that are more consistent with beidellite than other Al‐phyllosilicates, indicating a higher‐temperature or diagenetically processed origin for this material. Our interpretation of the geologic history of this region is that ancient Noachian basaltic crustal materials experienced extensive aqueous alteration at the time of the Isidis impact, during which the montes were also formed, followed by emplacement of a rough olivine‐rich lava or melt, and finally the smooth pyroxene‐bearing caprock unit.
Cell-Cell Interactions in Chlamydomonas (1985)

Crop loss due to soil salinization is an increasing threat to agriculture worldwide. This review provides an overview of cellular and physiological mechanisms in plant responses to salt. We place cellular responses in a time- and tissue-dependent context ...Read More
Quasiparticle Statistics in Time-Reversal Invariant States (1988)

Received 20 January 1988DOI:https://doi.org/10.1103/PhysRevLett.61.2630©1988 American Physical Society
Microphone Diversity Combining for In-Car Applications (2010)

This paper proposes a frequency domain diversity approach for two or more microphone signals, for example, for in-car applications. The microphones should be positioned separately to insure diverse signal conditions and incoherent recording of noise. This enables a better compromise for the microphone position with respect to different speaker sizes and noise sources. This work proposes a two-stage approach. In the first stage, the microphone signals are weighted with respect to their signal-to-noise ratio and then summed similar to maximum ratio combining. The combined signal is then used as a reference for a frequency domain least-mean-squares (LMS) filter for each input signal. The output SNR is significantly improved compared to coherence-based noise reduction systems, even if one microphone is heavily corrupted by noise.
Towards Quantitative Measurements of Soot Concentrations in Strongly Sooting Turbulent Jet Diffusion Flames (2010)

Two-dimensional laser-induced incandescence has been used to quantify soot properties in strongly sooting turbulent nonpremixed flames fueled by ethylene and JP-8 surrogate, despite strong laser attenuation and signal trapping.
A Rapid Method for Hydraulic Profiling in Unconsolidated Formations (2007)

Information on vertical variations in hydraulic conductivity (K) can often shed much light on how a contaminant will move in the subsurface. The direct-push injection logger has been developed to rapidly obtain such information in shallow unconsolidated settings. This small-diameter tool consists of a short screen located just behind a drive point. The tool is advanced into the subsurface while water is injected through the screen to keep it clear. Upon reaching a depth at which information about K is desired, advancement ceases and the injection rate and pressure are measured on the land surface. The rate and pressure values are used in a ratio that serves as a proxy for K. A vertical profile of this ratio can be transformed into a K profile through regressions with K estimates determined using other techniques. The viability of the approach was assessed at an extensively studied field site in eastern Germany. The assessment demonstrated that this tool can rapidly identify zones that may serve as conduits for or barriers to contaminant movement.
Analysis of synthetic aperture integral imaging (2007)

We present the simulation results on the analysis of Synthetic Aperture Integral Imaging (SAII) technique and its sensitivity to pickup position uncertainty. SAII is a passive three dimensional imaging technique based on multiple image acquisitions with different perspective of the scene under incoherent or natural illumination. In practical SAII applications, there is always an uncertainty associated with the position at which each sensor captures the elemental image. We present simulation results of image degradation in terms of Mean Square Error (MSE) metric. We also show an inverse relationship between the reconstruction distance and degradation metric.
Temperature Affects the Hydroxyapatite Crystal Arrangement on Silk Fibroin Surfaces (2017)

A hydroxyapatite (HAP)/silk fibroin (SF) bone-like biomaterial was fabricated through a coprecipitation process using stepped temperatures. We evaluated the effect of increasing temperatures on hydroxyapatite crystal arrangement on a silk fibroin surface. We found that the HAP crystal particles self-assembled on the silk fibroin surface. Further we found that with rising temperature the HAP crystal c-axis became progressively more parallel to the long axis of the silk fibroin. This deposition pattern is similar to that seen with HAP and collagen assembly in normal bone. Based on the XRD, SEM, and TEM results, we conclude that higher temperatures promote crystal nucleation resulting in an increase in both HAP crystal size and HAP/SF particle size. These data support the use of HAP/SF bone-like biomaterials for bone replacement and regeneration.
Objective Quantification of the Continuous-Wave Venous Doppler Examination (1996)

Objective: To develop a quantitative, objective method to diagnose deep venous thrombosis (DVT) with the continuous-wave (CW) Doppler system. Design: Case control study. Setting: Vascular Laboratory of the Surgical Services, Veteran's Affairs Medical Center, La Jolla, California, USA. Patients, participants: Thirty-five control subjects and the limbs of 50 patients with suspected DVT were examined. Main outcome measures: Phlebography, CW Doppler ultrasound. CW Doppler output was recorded from the popliteal, superficial femoral and common femoral veins. The response to standardized calf compression was analysed. Results: The most useful information included the Doppler velocity increase, decay time and deceleration. Because the determination of decay time does not require calibration of the Doppler system, it is the preferred parameter. Conclusions: A decay time longer than 1.05 s is a very good discriminant between normal control and DVT limbs.
Precise measurements and their analysis of GAWBS-induced depolarization noise in various optical fibers for digital coherent transmission (2020)

We undertake precise measurements of guided acoustic wave Brillouin scattering (GAWBS) depolarization noise caused by the TR<sub>2,m</sub> mode (torsional and radial mode) in various fibers and analyze the results. And we describe the influence of the noise on digital coherent transmission. We first show that the TR<sub>2,m</sub> mode is distributed over a wider bandwidth when the effective core area A<sub>eff</sub> of the fiber is smaller. We then describe the strong mode-number dependence of the depolarization power generated from the profile of the refractive index change induced by the TR<sub>2,m</sub> mode. We also use two methods to measure the polarization crosstalk (XT) induced by the depolarization, namely, a direct detection method with a photodiode and a conventional power detection method with an optical spectrum analyzer. The results of the two methods agree well, and the XT increase is inversely proportional to the fiber A<sub>eff</sub> and proportional to fiber length. Finally, we evaluate the influence of the GAWBS-induced XT on the BER characteristics in a coherent QAM transmission, where we find that the influence of the TR<sub>2,m</sub> mode is much weaker than that of the R<sub>0,m</sub> mode (radial mode). That is, the error-free transmission distance in standard single-mode fiber is extended to 8600 km for 256 QAM signal assuming hard-decision FEC with a 7% overhead. This distance is seven times longer than that obtained with the R<sub>0,m</sub> mode.
Suppression of SBS by discontinuous Brillouin frequency shifted fibre in CPFSK coherent lightwave system with booster amplifier (1991)

The impact of a compound fibre exhibiting discontinuous Brillouin shifts on stimulated Brillouin scattering (SBS) in a 2.5 Gbit/s CPFSK transmission system consisting of an optical booster amplifier and a nondispersion shifted transmission fibre is described. The power penalty due to SBS is almost completely eliminated by the novel compound fibre which is constructed with four short lengths of nondispersion shifted fibre joined end to end.
A new type of color-coded light structures for an adapted and rapid determination of point correspondences for 3D reconstruction (2011)

This paper proposes a new type of color coded light structures for the inspection of complex moving objects. The novelty of the methods relies on the generation of free-form color patterns permitting the projection of color structures adapted to the geometry of the surfaces to be characterized. The point correspondence determination algorithm consists of a stepwise procedure involving simple and computationally fast methods. The algorithm is therefore robust against varying recording conditions typically arising in real-time quality control environments and can be further integrated for industrial inspection purposes. The proposed approach is validated and compared on the basis of different experimentations concerning the 3D surface reconstruction by projecting adapted spatial color coded patterns. It is demonstrated that in case of certain inspection requirements, the method permits to code more reference points that similar color coded matrix methods.
F4‐04‐03: RELATIONSHIPS BETWEEN BASELINE BRAIN IMAGING BIOMARKER MEASUREMENTS AND AGE IN THE API AUTOSOMAL DOMINANT ALZHEIMER'S DISEASE COLOMBIA TRIAL (2019)

Safety and tolerability are assessed. We developed a baseline datasharing plan to protect participant identity and trial integrity. Baseline data from multiple sources were shared (July 2018) with firewalled sponsor teams who determined what data could be analyzed and presented. The data presented are from 242 of the 252 enrolled. Statistical tests were not adjusted for multiplicity. Re- sults: Baseline clinical and cognitive data will be presented according to mutation carriage status, including age, sex, years of education, APOE4 carriage, subjective cognitive concern, and scores for the API ADAD Composite Cognitive Test, CDR, FAST, NPI, MMSE, CERAD word list recall, RBANS, and FCSRT. Compared to mutation non-carriers in the trial, mutation carriers were younger (mean 37 vs 42 years), had similar educational attainment (mean 8.8 vs 8.5 years), showed generally lower cognitive performance, with greater variance, especially on measures of memory (e.g., mean RBANS delayed memory 77.4 vs 87.3, respectively); no difference in subjective concerns regarding cognition; small differences in FAST and CDR, with greater variance; and no differences in NPI scores. Conclusions: The API ADAD Colombia Trial baseline data available provide insights into ageassociated changes in clinical and cognitive characteristics. Investigators can apply for analysis of baseline data at APIdata@ bannerhealth.com.
Urolithins, Ellagic Acid-Derived Metabolites Produced by Human Colonic Microflora, Exhibit Estrogenic and Antiestrogenic Activities (2006)

Urolithins A and B (hydroxy-6H-dibenzo[b,d]pyran-6-one derivatives) are colonic microflora metabolites recently proposed as biomarkers of human exposure to dietary ellagic acid derivatives. Molecular models suggest that urolithins could display estrogenic and/or antiestrogenic activity. To this purpose, both urolithins and other known phytoestrogens (genistein, daidzein, resveratrol, and enterolactone) were assayed to evaluate the capacity to induce cell proliferation on the estrogen-sensitive human breast cancer MCF-7 cells as well as the ability to bind to alpha- and beta-estrogen receptors. Both urolithins A and B showed estrogenic activity in a dose-dependent manner even at high concentrations (40 microM), without antiproliferative or toxic effects, whereas the other phytoestrogens inhibited cell proliferation at high concentrations. Overall, urolithins showed weaker estrogenic activity than the other phytoestrogens. However, both urolithins displayed slightly higher antiestrogenic activity (antagonized the growth promotion effect of 17-beta-estradiol in a dose-dependent manner) than the other phytoestrogens. The IC(50) values for the ERalpha and ERbeta binding assays were 0.4 and 0.75 microM for urolithin A; 20 and 11 microM for urolithin B; 3 and 0.02 for genistein; and 2.3 and 1 for daidzein, respectively; no binding was detected for resveratrol and enterolactone. Urolithins A and B entered into MCF-7 cells and were metabolized to yield mainly urolithin-sulfate derivatives. These results, together with previous studies regarding absorption and metabolism of dietary ellagitannins and ellagic acid in humans, suggest that the gut microflora metabolites urolithins are potential endocrine-disrupting molecules, which could resemble other described "enterophytoestrogens" (microflora-derived metabolites with estrogenic/antiestrogenic activity). Further research is warranted to evaluate the possible role of ellagitannins and ellagic acid as dietary "pro-phytoestrogens".