gebhart/patrepeval huggingface dataset:
Frailty, Inflammation, and Waitlist Mortality among Patients with End-Stage Renal Disease on the Kidney Transplant Waitlist (2018)

Background Among community-dwelling older adults, frailty is associated with heightened inflammation and subsequent mortality. Although frailty is common among patients on the KT waitlist, the role of frailty and inflammation in this population remains unclear. We quantified the association between frailty, inflammation, and mortality in ESRD patients on the KT waitlist, and tested whether frailty and/or inflammation improves risk prediction beyond clinical factors available in registry-based models. Methods We studied 1,975 prevalent ESRD patients on the KT waitlist (11/1/09-2/28/17) in a multi-center cohort study of measured frailty in patients undergoing transplant evaluation; serum inflammatory markers (interleukin-6 [IL-6], soluble tumor necrosis factor-a receptor-1 [sTNFR1], and C-reactive protein [CRP]) were analyzed in 605 of these participants. We compared the C-statistic of an established registry-based prediction model adding frailty and/or inflammation (1SD change in log IL-6, sTNFR1, CRP, or an aggregate inflammatory index). Results The mean age was 53.7 and 18.4% were frail. Frail candidates had elevated serum IL-6 (P<0.001), sTNFR1 (P=0.02), CRP (P=0.01), and a higher inflammatory index (P<0.001). The registry-based model had moderate predictive ability (C-statistic=0.655). Frailty was associated with increased waitlist mortality risk (frail HR=2.19, 95%CI:1.26-3.79) (Figure) but did not improve mortality risk prediction (C-statistic=0.646; P=0.65) (Table). Like frailty, IL-6 (HR=2.13, 95%CI:1.41-3.22), sTNFR1 (HR=1.70, 95%CI:1.12-2.59), CRP (HR=1.68, 95%CI:1.06-2.67), and the inflammatory index (HR=2.09, 95%CI:1.38-3.16) were all associated with increased waitlist mortality risk. But unlike frailty, adding IL-6 (C-statistic=0.777; P=0.02), CRP (C-statistic=0.728; P=0.02), or the inflammatory index (C-statistic=0.777; P=0.02) substantially improved mortality risk prediction. Conclusions Among adult ESRD patients on the KT waitlist, frailty and inflammation were associated with increased waitlist mortality risk, but only inflammatory markers significantly improved mortality risk prediction. Heightened inflammation may be the biological link between frailty and mortality in KT candidates. This study was supported by NIH grant R01AG042504 (PI: Dorry Segev), R01AG055781 (PI: McAdams-DeMarco) and K24DK101828 (PI: Dorry Segev). Mara McAdams-DeMarco was also supported by the Johns Hopkins University Claude D. Pepper Older Americans Independence Center (P30AG021334), National Institute on Aging (K01AG043501). Christine Haugen was supported by the National Institute on Aging (F32AG053025). Ashton Shaffer was supported by the National Institute of General Medical Sciences (5T32GM007309).
Synthesis of Oligoferrocenylenearylenes and the X-Ray Structure of 1,4-Bis(tricarbonylmethyltungstentetramethylcyclopentadienyl)benzene (2002)

Soluble oligo-(1,1′-ferrocenylene-2,5-dihexylphenyl­ene) and oligo-(1,1′-ferrocenylene-2,5-didodecyloxylphenylene) were prepared by the Suzuki coupling of the ferrocene diboronic acid and the 1,4-phenylene diiodide. Direct reaction of lithium 1,4-bis(tetramethylcyclopentadienide)benzene or lithium 2,5-bis(tetramethylcyclopentadienide)thiophene with Fe(II) halides afforded insoluble ferrocenylenearylene oligomers, and with W(CO)6 followed by MeI gave a model dimer whose crystal structure was determined. The magnetic properties of the ferrocene oligomers exhibit anomalous behavior that is explained in terms of the properties of the individual ferrocene groups, rather than to cooperative behavior.
Unique polymers via radical diene cyclization: polyspironorbornanes and their application to 193 nm microlithography (1999)

The design of novel alkylated norcamphor derivatives that undergo cyclopolymerization is explored; the resulting polymers incorporate suitable functional groups for chemical amplification and show excellent imaging characteristics under lithographic exposure at 193 nm.
"Instantons" as the origin of the nonlinear optical properties of polyacetylene (1989)

Third harmonic generation (THG) is used to probe the nonlinear susceptibility (χ(3)) of polyacetylene. The magnitude of χ||(3) (3ω; ω, ω, ω) is (4 ± 2) × 10-10 esu with ℏω = 1.17 eV; the only important component is that associated with π-electron motion along the backbone. Comparison of THG in cis- and trans-(CH)x shows that χ||(3)|trans is 15–20 times larger, implying a mechanism sensitive to the existence of a degenerate ground state. The results are consistent with calculations of χ||(3) based on virtual generation of solitons enabled by nonlinear zero point fluctuations (instantons).
A self-splicing group I intron in the nuclear pre-rRNA of the green alga,Ankistrodesmus stipitatus (1991)

The nuclear small subunit ribosomal RNA gene of the unicellular green alga Ankistrodesmus stipitatus contains a group I intron, the first of its kind to be found in the nucleus of a member of the plant kingdom. The intron RNA closely resembles the group I intron found in the large subunit rRNA precursor of Tetrahymena thermophila, differing by only eight nucleotides of 48 in the catalytic core and having the same peripheral secondary structure elements. The Ankistrodesmus RNA self-splices in vitro, yielding the typical group I intron splicing intermediates and products. Unlike the Tetrahymena intron, however, splicing is accelerated by high concentrations of monovalent cations and is rate-limited by the exon ligation step. This system provides an opportunity to understand how limited changes in intron sequence and structure alter the properties of an RNA catalytic center.
Short Enantioselective Total Syntheses of the Piperidine Alkaloids (S)-Coniine and (2R,6R)-trans-Solenopsin A via Catalytic Asymmetric Imine Hydrosilylation (1998)

The enantioselective syntheses of (S)-coniine and (2R,6R)-trans-solenopsin A are reported. The key step in both syntheses is the catalytic asymmetric hydrosilylation of a cyclic imine.
Disturbance Torque and Motion State Estimation Using Low Resolution Position Interfaces (2006)

This paper assesses and analyzes a harmonic vector modeling method for reducing disturbance torque and motion state estimation error using quantized input measurements of position. There is a finite resolution available for any digital interface and quantization will always be present in some form. Although not possible to completely reconstruct a quantized measured state, it is possible to attenuate deterministic quantization characteristics. The discussed method models quantized position feedback as a spatially rotating vector consisting of fundamental and harmonic components. The error mitigation strategy involves decoupling these spatial quantization harmonics from the actual fundamental position, using heterodyning tracking observer topologies
Engineering P450 TamI as an Iterative Biocatalyst for Selective Late-Stage C–H Functionalization and Epoxidation of Tirandamycin Antibiotics (2021)

Iterative P450 enzymes are powerful biocatalysts for selective late-stage C-H oxidation of complex natural product scaffolds. These enzymes represent useful tools for selectivity and cascade reactions, facilitating direct access to core structure diversification. Recently, we reported the structure of the multifunctional bacterial P450 TamI and elucidated the molecular basis of its substrate binding and strict reaction sequence at distinct carbon atoms of the substrate. Here, we report the design and characterization of a <i>toolbox</i> of TamI biocatalysts, generated by mutations at Leu101, Leu244, and/or Leu295, that alter the native selectivity, step sequence, and number of reactions catalyzed, including the engineering of a variant capable of catalyzing a four-step oxidative cascade without the assistance of the flavoprotein and oxidative partner TamL. The tuned enzymes override inherent substrate reactivity, enabling catalyst-controlled C-H functionalization and alkene epoxidation of the tetramic acid-containing natural product tirandamycin. Five bioactive tirandamycin derivatives (6-10) were generated through TamI-mediated enzymatic synthesis. Quantum mechanics calculations and MD simulations provide important insights into the basis of altered selectivity and underlying biocatalytic mechanisms for enhanced continuous oxidation of the iterative P450 TamI.
Creating Telepresence: 3D Modeling and Visualization of an Archaeological Excavation (2004)

Creating Telepresence: 3D Modeling and Visualization of an Archaeological Excavation Slideshow
Metamaterial antenna integrated to LiNbO3 optical modulator for millimeter-wave-photonic links (2015)

We report current research progress on a metamaterial antenna integrated to an optical modulator for millimeter-wave-photonic links. The metamaterial antenna is composed by an array of electric-LC resonators on a LiNbO3 optical crystal. Large millimeter-wave electric field is induced across the capacitive gaps of the resonators due to free-space millimeter-wave irradiation. Optical modulation through Pockels effects can be obtained when light propagates along the capacitive gaps. The integrated device is operated effectively by considering interaction between millimeter-wave and lightwave electric fields along the capacitive gaps. Basic operations of the integrated device for 90GHz millimeter-wave bands are reported and discussed. Optical sidebands with carrier-to-sideband ratio of about ™60dB by millimeter-wave irradiation power of ∼20mW can be experimentally measured using optical spectrum analyzer.
Extrahigh color rendering white light-emitting diode lamps using oxynitride and nitride phosphors excited by blue light-emitting diode (2007)

The blue-light-excitation-type white light-emitting diode (LED) lamps are considered to be very suitable for lighting for art objects, shop window displays, and medical applications because they do not give infrared ray and ultraviolet ray. But their color rendering indices are needed to be improved for such applications. In this letter, the authors have fabricated white LED lamps with a broad range of color temperatures, and realized extrahigh color rendering index Ra values of 95–98 in them, using four oxynitride/nitride phosphors and a blue LED die. It means UV LED die is not always necessary for high color rendering white LED lamps. The luminous efficacies of white LED lamps are 28–35lm∕W, which are sufficiently high for extremely high color rendering white LED lamps.
Screening of High-k Layers in MIS and MIM Capacitors Using Aqueous Chemical Solution Deposition (2007)

Alternative high-k materials are being researched for future dielectrics in various CMOS applications. We report on the aqueous chemical solution deposition (CSD) technique as an alternative material screening technique applied to ZrO2, Nd2O3, Pr2O3, Eu2O3, and Sm2O3. We used ZrO2 to explore the effect of the different process parameters on dielectric quality and found that proper optimization of these parameters can enhance the film quality to similar levels as for example atomic layer deposition. CSD can also be used to deposit dielectrics for MIM devices, but the preferred 600{degree sign}C anneal temperature to optimize the dielectric quality can be a limiting factor for metals that become insulating when oxidized.
Search for photonic signatures of gauge-mediated supersymmetry in 13 TeV pp collisions with the ATLAS detector (2018)

A search is presented for photonic signatures, motivated by generalized models of gauge-mediated supersymmetry breaking. This search makes use of proton-proton collision data at ffiffi ffi s p 13 TeV corresponding to an integrated luminosity of 36.1 fb -1 recorded by the ATLAS detector at the LHC, and it explores models dominated by both strong and electroweak production of supersymmetric partner states. Experimental signatures incorporating an isolated photon and significant missing transverse momentum are explored. These signatures include events with an additional photon or additional jet activity not associated with any specific underlying quark flavor. No significant excess of events is observed above the Standard Model prediction, and 95% confidence-level upper limits of between 0.083 and 0.32 fb are set on the visible cross section of contributions from physics beyond the Standard Model. These results are interpreted in terms of lower limits on the masses of gluinos, squarks, and gauginos in the context of generalized models of gauge-mediated supersymmetry, which reach as high as 2.3 TeV for strongly produced and 1.3 TeV for weakly produced supersymmetric partner pairs.
Survey of prognostics methods for condition-based maintenance in engineering systems (2019)

It is not surprising that the idea of efficient maintenance algorithms (originally motivated by strict emission regulations, and now driven by safety issues, logistics and customer satisfaction) has culminated in the so-called condition-based maintenance program. Condition-based program/monitoring consists of two major tasks, i.e., \textit{diagnostics} and \textit{prognostics} each of which has provided the impetus and technical challenges to the scientists and engineers in various fields of engineering. Prognostics deals with the prediction of the remaining useful life, future condition, or probability of reliable operation of an equipment based on the acquired condition monitoring data. This approach to modern maintenance practice promises to reduce the downtime, spares inventory, maintenance costs, and safety hazards. Given the significance of prognostics capabilities and the maturity of condition monitoring technology, there have been an increasing number of publications on machinery prognostics in the past few years. These publications cover a wide range of issues important to prognostics. Fortunately, improvement in computational resources technology has come to the aid of engineers by presenting more powerful onboard computational resources to make some aspects of these new problems tractable. In addition, it is possible to even leverage connected vehicle information through cloud-computing. Our goal is to review the state of the art and to summarize some of the recent advances in prognostics with the emphasis on models, algorithms and technologies used for data processing and decision making.
Fancy Bioisosteres:  Novel Paracyclophane Derivatives As Super-Affinity Dopamine D3 Receptor Antagonists (2006)

The exploration of the chemical diversity space depends on the discovery of novel bioisosteric elements. As a continuation of our project on bilayered arene surrogates, we herein report on [2.2]paracyclophane-derived dopamine D3 receptor antagonists of type 4 and 6. For the most promising test compound 6a, bearing a 2-methoxyphenyl substituent, a stereocontrolled preparation was performed when the planar chirality of enantiomers (R)-6a (FAUC 418) and (S)-6a caused a considerable differentiation of D3 binding, which is indicated by K(i) values of 0.19 and 3.0 nM, respectively. Functional experiments showed D3 antagonist properties for the paracyclophane derivatives of type 6. To elucidate putative bioactive low-energy conformations, DFT-based studies including the calculation of diagnostic magnetic shielding properties were performed. An 89% increase in volume for the [2.2]paracyclophane moiety compared to that of the monolayered benzofurane of lead compound 3b indicates higher plasticity of GPCR binding regions than usually expected.
A Comparison of Hydrogen Embrittlement between Cold-rolled Stable and Metastable Austenitic Stainless Steels. (1992)

Hydrogen embrittlement has been investigated on metastable and stable austenitic stainless steels cold-rolled by 0% to about 60%. The specimens were made of Fe-18% Cr-8% Ni (18-8), Fe-25% Cr -19% Ni (25-19) and Fe-24% Cr-13% Ni with 0.3% N (24-13/N); N was added to save the Ni content. The bend test was used to evaluate the hydrogen embrittlement, and the number of bending before failure was measured for H-free and H-charged specimens (N: H-free, NH: H-charged). The main results are as follows: (5) For 25-19 and 24-13/N, hydrogen-induced -martensite content decreased with increasing cold-reduction. The -martensite content of 25-19 was larger than that of 24-13/N.
SS: Unlocking the Unconventional Oil and Gas Reservoirs: The Effect of Laminated Heterogeneity in Wellbore Stability and Completion of Tight Gas Shale Reservoirs (2009)

Abstract Unconventional shale-gas reservoirs are complex systems with predominant layered heterogeneity. This results in high variability in material properties and in considerable contrast in mechanical and elastic properties along orientations parallel and perpendicular to bedding. Understanding the effect of this variability in strength and elastic properties with bed orientation, to hydraulic fracturing breakdown pressures, height containment, and long-term stability of wellbores and perforations, are of highest interest to unconventional, shale gas, reservoir applications. Successful hydraulic fracturing is fundamental for economic production from nano-darcy permeability gas shales. By incorporating anisotropic elastic deformation, to better represent the behavior of unconventional tight gas reservoirs, we facilitate the understanding of nearwellbore stress concentrations and their effect on fracture initiation. Results show that strong elastic anisotropy results in lower breakdown pressures and lower tortuosity at the wellbore face. As a consequence, selecting perforating intervals along sections with highest elastic anisotropy minimize fracture initiation problems, and results in lower treating pressures. In addition, elastic anisotropic behavior influences the magnitude of the minimum horizontal stress and the potential for fracture containment. Traditional isotropic-rock models do not capture this behavior. When applied in anisotropic formations these models misrepresent the potential of fracture containment. This leads to erroneous selections of perforation intervals (vertical completion) or landing depths of horizontal wellbores. A third consequence of strength and elastic anisotropy is the high risk of wellbore stability during drilling. In rocks with changing elastic moduli and strength with bed orientation, the highest risk of wellbore failure often occurs during building angle from the vertical to the horizontal directions. Along this path, there is a critical angle, defined by the strength anisotropy of the rock that will maximize the risk of failure. Minimizing this risk, e.g., by controlling the mud weight or well inclination, is of principal importance to the economic success of the play. In this paper we conduct numerical simulations on unconventional gas shales, exhibiting moderate to strong elastic and strength anisotropy, to evaluate the effect of their anisotropic behavior on well construction and completion. We also show that traditional isotropic models may lead to erroneous completion decisions, and underestimating the risk of wellbore failure. We conclude by suggesting that modeling and predicting near-wellbore effects of horizontal completions and wellbore stability in anisotropic shales is straightforward, provided that appropriate measurements of anisotropic strength and elastic properties are obtained on each of the various lithofacies present in the system.
Sacrificial Crystal Templated Hyaluronic Acid Hydrogels As Biomimetic 3D Tissue Scaffolds for Nerve Tissue Regeneration (2017)

Pores are key features of natural tissues and the development of tissues scaffolds with biomimetic properties (pore structures and chemical/mechanical properties) offers a route to engineer implantable biomaterials for specific niches in the body. Here we report the use of sacrificial crystals (potassium dihydrogen phosphate or urea) that act as templates to impart pores to hyaluronic acid-based hydrogels. The mechanical properties of the hydrogels were analogous to the nervous system (in the Pascal regime), and we investigated the use of the potassium dihydrogen phosphate crystal-templated hydrogels as scaffolds for neural progenitor cells (NPCs), and the use of urea crystal-templated hydrogels as scaffolds for Schwann cells. For NPCs cultured inside the porous hydrogels, assays for the expression of Nestin are inconclusive, and assays for GFAP and BIII-tubulin expression suggest that the NPCs maintain their undifferentiated phenotype more effectively than the controls (with glial fibrillary acidic protein (GFAP) and BIII-tubulin expression at ca. 50% relative to the chemically/mechanically equivalent not templated control hydrogels). For Schwann cells cultured within these hydrogels, assays for the expression of S100 protein or Myelin basic protein confirm the expression of both proteins, albeit at lower levels on the templated hydrogels (ca. 50%) than on the chemically/mechanically equivalent not templated control hydrogels. Such sacrificial crystal templated hydrogels represent platforms for biomimetic 3D tissue scaffolds for the nervous system.
A Facile Synthesis of α-N-Ribosyl-Asparagine and α-N-Ribosyl-Glutamine Building Blocks (2013)

Adenosine diphosphate ribosylation (ADP-ribosylation) is a widely occurring post-translational modification of proteins at nucleophilic side chain of amino acid residues. Elucidation of ADP-ribosylation events would benefit greatly from the availability of well-defined ADP-ribosylated peptides and analogues thereof. In this paper we present a novel approach to the chemical synthesis of ribosylated amino acid building blocks using traceless Staudinger ligation. We describe an efficient and stereoselective synthesis of α-N-ribosyl-asparagine (α-N-ribosyl-Asn) and α-N-ribosyl-glutamine (α-N-ribosyl-Gln) building blocks starting from 5-tert-butyldiphenylsilyl-β-D-ribofuranosyl azide. The N-glycosyl aminoacids are produced in good yields as pure α-anomers, suitably protected for peptide synthesis.
Supplementary Figure 5 from Measles Virus Vaccine–Infected Tumor Cells Induce Tumor Antigen Cross-Presentation by Human Plasmacytoid Dendritic Cells (2023)

&lt;p&gt;PDF file - 92K, Supplemental Figure 5: shematic of the culture conditions used in the cross-presentation experiments.&lt;/p&gt;
CO2 in geventileerde bewaarplaatsen (2012)

Dit document beschrijft een eenvoudig model voor voorspelling van het verloop van de CO2 concentratie in bewaarplaatsen. Het model is tevens geïmplementeerd in een gebruiksvriendelijk excel-programma. Doel van dit programma is om in het ontwerp van bewaarplaatsen beter gefundeerde beslissingen te kunnen nemen over te installeren luchtverversingscapaciteit. Ter verificatie van belangrijke modelparameters is de ademhalingsactiviteit van een vijftal product/opslagtemperatuur-combinaties bepaald.