gebhart/patrepeval huggingface dataset:
Sequential Glycosylation of Proteins with Substrate-Specific N-Glycosyltransferases (2020)

Protein glycosylation is a common post-translational modification that influences the functions and properties of proteins. Despite advances in methods to produce defined glycoproteins by chemoenzymatic elaboration of monosaccharides, the understanding and engineering of glycoproteins remain challenging, in part, due to the difficulty of site-specifically controlling glycosylation at each of several positions within a protein. Here, we address this limitation by discovering and exploiting the unique, conditionally orthogonal peptide acceptor specificities of <i>N</i>-glycosyltransferases (NGTs). We used cell-free protein synthesis and mass spectrometry of self-assembled monolayers to rapidly screen 41 putative NGTs and rigorously characterize the unique acceptor sequence preferences of four NGT variants using 1254 acceptor peptides and 8306 reaction conditions. We then used the optimized NGT-acceptor sequence pairs to sequentially install monosaccharides at four sites within one target protein. This strategy to site-specifically control the installation of <i>N</i>-linked monosaccharides for elaboration to a variety of functional <i>N</i>-glycans overcomes a major limitation in synthesizing defined glycoproteins for research and therapeutic applications.
Environmentally Dependent Adaptive Parameterization of a GNSS-aided Tightly-Coupled Navigation Filter (2020)

Parameterization of global navigation satellite system (GNSS)-aided navigation filter is an active research topic, because it is crucial for the state estimation accuracy and there is little theoretical guidance. This publication presents parameterization for extended Kalman filter (EKF) with the help of Bayesian optimization. Different ways to model and parameterize the measurement noise are discussed. An adaptive parameterization scheme is proposed, which maps the environment according to the dilution of precision (DOP) and signal-to-noise ratio (SNR). The new adaptive parameterization approach is evaluated with a test car in Aachen, Germany. Results are compared to a sigma-epsilon variance model and show a remarkable improvement of position estimation accuracy and preciseness. In average, the mean error along the validation data set is reduced by 2.5 m and the standard deviation is halved.
Medizin 4.0: Optimierung durch Künstliche Intelligenz? (2018)

Die Künstliche Intelligenz (KI) zielt darauf ab, die enormen Potenziale auszuschöpfen, die Computer uns heutzutage bieten. In der Medizin hat der Siegeszug der KI inzwischen begonnen – sie ist der prägende Trend der Disziplin. Während Patienten davon profitieren, befürchten jedoch manche Mediziner, dass die Technologie sie künftig ersetzen wird.
G protein-coupled receptors as challenging druggable targets: insights from in silico studies (2006)

The successful identification of hundreds of G protein-coupled receptors (GPCRs) represents the single greatest opportunity for novel drug development today. The crystal structure of rhodopsin provides the first information on the three-dimensional structure of GPCRs, which now supports homology modeling studies and structure-based drug-design approaches. We review our recent work on adenosine receptors, a family of GPCRs. Focusing our attention on A3 adenosine receptor, we have demonstrated that the reciprocal integration of different theoretical and experimental disciplines can be very useful for the successful design of new, potent and selective receptor ligands.
Capacitance Electrochemical pH Sensor Based on Different Hafnium Dioxide (HfO2) Thicknesses (2021)

Over the past years, to achieve better sensing performance, hafnium dioxide (HfO2) has been studied as an ion-sensitive layer. In this work, thin layers of hafnium dioxide (HfO2) were used as pH-sensitive membranes and were deposited by atomic layer deposition (ALD) process onto an electrolytic-insulating-semiconductor structure Al/Si/SiO2/HfO2 for the realization of a pH sensor. The thicknesses of the layer of the HfO2 studied in this work was 15, 19.5 and 39.9 nm. HfO2 thickness was controlled by ALD during the fabrication process. The sensitivity toward H+ was clearly higher when compared to other interfering ions such as potassium K+, lithium Li+, and sodium Na+ ions. Mott−Schottky and electrochemical impedance spectroscopy (EIS) analyses were used to characterise and to investigate the pH sensitivity. This was recorded by Mott–Schottky at 54.5, 51.1 and 49.2 mV/pH and by EIS at 5.86 p[H−1], 10.63 p[H−1], 12.72 p[H−1] for 15, 19.5 and 30 nm thickness of HfO2 ions sensitive layer, respectively. The developed pH sensor was highly sensitive and selective for H+ ions for the three thicknesses, 15, 19.5 and 39.9 nm, of HfO2-sensitive layer when compared to the other previously mentioned interferences. However, the pH sensor performances were better with 15 nm HfO2 thickness for the Mott–Schottky technique, whilst for EIS analyses, the pH sensors were more sensitive at 39.9 nm HfO2 thickness.
Microstructure and Properties of High-purity Polycrystalline cBN. (2002)

Microstructural features and some properties of high-purity polycrystalline cBN synthesized from hBN by the direct conversion method were investigated. A fine-grained (<0.5μm) and homogeneous high-purity polycrystalline cBN was obtained at 7.7GPa and 2200-2400°C. At lower pressure and lower temperature than these conditions, compressed hBN remained in the polycrystalline sintered body. Some cBN grains became larger rapidly at higher temperature above 2400°C, and inhomogeneous microstructure was formed. The fine-grained and homogeneous polycrystalline cBN had higher hardness and TRS, compared with the coarse-grained and inhomogeneous polycrystalline cBN. The thermal conductivity of the polycrystalline cBN increased with increasing grain size or synthesis temperature. The thermal conductivity of the fine-grained polycrystalline cBN, however, was 3 to 4 times higher than conventional cBN compacts containing binder materials. The fine-grained and homogeneous high-purity cBN is expected to have high potential in cutting tool applications because of its excellent mechanical and thermal properties.
Salvage surgery for patients with recurrent gastrointestinal sarcoma (2000)

Survival following recurrence of a gastrointestinal sarcoma is largely determined by the tumor biology, one manifestation of which is the disease free interval. Except for patients with a long disease free interval, surgery should be reserved largely for symptom control.
Serotonin Transporter and COMT Polymorphisms as Independent Predictors of Health-related Quality of Life in Patients with Panic Disorder (2016)

There is growing evidence of poor health-related quality of life (HRQOL) in patients with panic disorder (PD). However, little is known about the factors affecting HRQOL in patients with PD. The authors examined whether 5-HTTLPR tri-allelic approach and Cathechol-O-methyltransferase (COMT) Val(158)Met polymorphism can predict HRQOL in patients with PD controlling for sociodemographic factors and disorder-related symptom levels. The sample consisted of 179 patients with PD consecutively recruited from an outpatient clinic and age- and gender ratio-matched 110 healthy controls. The SF-36 was used to assess multiple domains of HRQOL. Hierarchical multiple regression analysis was performed to determine the independent effect of the 5-HTTLPR and COMT Val(158)Met on the SF-36 in panic patients. Patients with PD showed lowered HRQOL in all sub-domains of the SF-36 compared to healthy controls. The 5-HTTLPR independently and additively accounted for 2.2% of variation (6.7% of inherited variance) of perceived general health and the COMT Val(158)Met independently and additively accounted for 1.5% of variation (5.0% of inherited variance) of role limitation due to emotional problems in patient group. The present study suggests that specific genetic polymorphisms are associated with certain domains of HRQOL and provides a new insight on exploring the factors that predict HRQOL in patients with PD.
Wavelength dependence of the third order non‐linear coefficient in hydrothermally grown ZnO crystals (2004)

In this work, the dispersion of the third order nonlinear coefficients χ3xxxx and χ3zzzz of ZnO single crystals is determined. For this purpose, the third harmonic generation (THG) technique is employed. Tunable laser source has been used for the fundamental beam, spanning the optical range between 1.05 and 1.5 microns so that the generated third harmonic signal is made to cover a range (from 500 nm up to 350 nm) which encompasses both the transparency and the one photon absorption region above the fundamental bandgap. The determined data in the transparency region (with the THG signal at 500 nm) are 2.2x10−12 esu for both coefficients. These values are about significantly larger than previously reported ones. In the high absorption range the exciton contribution to the dispersion of the nonlinear coefficients is evidenced. For the first time the dispersion of χ3xxxx and χ3zzzz is studied in ZnO single crystals. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Responses of preosteoblasts on nano-structured polymer surfaces prepared from block copolymer–surfactant complexes (2012)

The surface nanotopography of polymer scaffolds is one of the most critical factors affecting cell phenotype and function in tissue engineering applications. We hypothesized that controlling the surface structure of polymer matrices on the nanometer size scale could be critical in the regulation of preosteoblast phenotypes. Nano-structured polymer surfaces on the sub-100 nanometer scale were produced via the self-assembly of polystyrene-b-poly(ethylene oxide)/dodecylbenzenesulfonic acid complex systems, and their structures were controlled by varying the composition and molecular weight of the copolymers and/or the surfactant concentration. Changes in PS domain sizes under 100 nm, which was considered the cell adhesion domain, strongly influenced the adhesion and proliferation of pre-osteoblasts cultured on the nano-patterned surfaces. The growth rate of the cells decreased as the PS domain size increased when the center-to-center distance between the domains was kept constant. In addition, osteoblastic differentiation was enhanced when cells were cultured on the surface containing larger adhesion domains. This approach to controlling the nano-structure of polymer surfaces may be useful in the design and tailoring of polymer scaffolds in tissue engineering applications.
Two-dimensional hexagonal-shaped microcavities formed in a two-dimensional photonic crystal on an InP membrane (2002)

We present simulation and experimental results on hexagonal-shaped microcavities formed in two-dimensional (2D) photonic crystals (PC’s). The PC structures, realized with InP-based materials, are studied in two configurations : Air-suspended membranes (A type) and membranes supported by silica (S type). The optical properties of these microcavities are analyzed through photoluminescence experiments. Plane-wave expansion method calculations provide simulation results that are consistent with experimental data. The influence on spectral properties of various parameters, such as cavity size or air filling factor (f), is thoroughly analyzed, and their effect on resonator loss mechanisms is extracted, to give guidance for further PC laser improvement, e.g., threshold reduction.
A Monte Carlo-fluid Hybrid Model Of Pristine And Contaminated Rf Discharges (1991)

Fluid or continuum models have been used for several years to model radio frequency (rf) discharge plasmas. Such models are much less computationally intensive than fully self consistent kinetic calculations (such as particle in cell simulations [PICS]) and in that respect are a desirable modeling method for parametric studies. At lower pressures (< 100's mTorr) though, the typical method of representing electron transport in fluid models becomes less accurate. Since the electron energy distribution (EED) is not explicitly solved for in fluid models, assumptions about its form must be made to obtain electron impact rate coefficients. We have developed a hybrid Monte Carlo-fluid model for rf discharges. This model retains the desirable features of fluid simulations while also directly calculating nonequilibrium electron impact rate and transport coefficients. The fluid model is used to obtain charge densities and the time and spatially varying electric field. This field is used in a Monte Carlo simulation to obtain the time and spatially varying EED from which source functions and rate coefficients are derived. These values are cycled back to the fluid model, and the process iterated until convergence. The continuity equations are couched using finite differences and explicitly integrated using Euler's method. Poisson's equation is also directly integrated using the same method. We expect that the electric fields generated by the fluid model are accurate since the more numerous low energy electrons which determine the field are quite collisional and readily described using moment methods. The computational speed of the hybrid model is comparable to a fluid model, allowing one to perform studies of discharges over a large parameter space. Particulate contamination can be modeled by including massively heavy negative ions as a species.
The Electrodeposition of Copper and Nickel in the Acidic Room-Temperature Aluminum Chloride-1-Methyl-3-ethylimidazolium Chloride Molten Salt (1994)

The electrodeposition of copper and nickel was investigated at polyciystalline platinum, gold, and tungsten and at glassy carbon electrodes in the acidic 66.7–33.3 mole percent aluminum chloride-1-methyl-3-ethylimidazoIium chloride molten salt. The electrodeposition of these metals at platinum and gold is complicated by underpotential deposition phenomena whereas the electrodeposition of these metals at glassy carbon and tungsten requires a significant nucleation overpotential. Dimensionless experimental current-time transients recorded at glassy carbon and tungsten are in good agreement with theoretical models based on three-dimensional nucleation with diffusion-controlled growth of the nuclei. The reduction of nickel(II) on nickel in this molten salt appears to involve the concurrent formation of a soluble nickel species.
Determining vulnerability resolution time by examining malware proliferation rates (2013)

One of the ways that malware infects is by exploiting weaknesses in computer systems, often through conditions in software. When this happens, software and operating system vendors must repair these vulnerabilities by patching their software. However, vendors can release patches but cannot force users to apply them. Malware attempts to proliferate without regard to the state of the infected system; it is only once that the malware infection is stopped that we can truly say that systems are patched to eliminate that exploit. By examining appearance and disappearance of malware types, as determined through dynamic analysis of malware samples, classified by behavioral profiles correlated with a timeline of discovery dates, we can determine a more real-world average time for effective patch times, as opposed to the time it takes for a vendor to release a patch for a discovered vulnerability.
Corrigenda (1996)

A. Vidal-Ferran, C. M. Müller, J. K. M. Sanders, K. Hashimoto, M. Sakai, T. Okuno, H. Shirahama, A. B. Lowe, N. C. Billingham, S. P. Armes, C. C. Mak, H. Chow, O. Runte, T. Priermeier and R. Anwander, Chem. Commun., 1996, 1849 DOI: 10.1039/CC9960001849
Gamma Bang Time/Reaction History Diagnostics for the National Ignition Facility (NIF) Using 90-degree Off-axis Parabolic Mirrors (2008)

Gas Cherenkov detectors (GCD) have been used to convert fusion gamma into photons to achieve gamma bang time (GBT) and reaction history measurements. The GCD designed for Omega used Cassegrain reflector optics in order to fit inside a ten-inch manipulator. A novel design for the National Ignition Facility (NIF) using 90o Off-Axis Parabolic (OAP) mirrors will increase light collection efficiency from fusion gammas and achieve minimum time dispersion. The broadband Cherenkov light (from 200 to 800 nm) is relayed into a high-speed detector using three parabolic mirrors. Because light is collected from many source planes throughout the CO2 gas volume, the detector is positioned at the stop position rather than an image position. The stop diameter and its position are independent of the light-generation location along the gas cell. The current design collects light from a 100-mm diameter by 500-mm-long gas volume. Optical ray tracings demonstrate how light can be collected from different angled trajectories of the Compton electrons as they fly through the CO2 gas volume. A cluster of four channels will allow for increased dynamic range as well as different gamma energy threshold sensitivities. 52.70.La, 29.40.Ka, 42.15.Eq, 07.60.-j, 07.85.-m
A Nonlinear Energy Harvester by Direct Printing Technology (2012)

This paper presents an energy harvester based on a bistable clamped-clamped beam to collect energy from wideband vibrational sources at low frequencies.The device exhibits a nonlinear dynamic behaviour which can be described by a double well bistable potential with a switching threshold and two stable equilibrium states.The beam switching is activated by environmental vibrations.The mechanical-to-electrical energy conversion is performed by a screen printed piezoelectric layer electrically connected using InterDigiTed Electrodes (IDT) realized by the inkjet printing of a silver based solution on a flexible PET (PolyEthyleneTerephthalate) substrate through a cheap commercial EPSON ® inkjet printer.Main advantages of the proposed approach are related to the wide frequency band assuring high device efficiency and low cost technologies adopted to realize both electrodes and the piezoelectric layer.
Total Synthesis of Two Naphthoquinone Antibiotics, Psychorubrin and Pentalongin, and Their C(1)-Substituted Alkyl and Aryl Derivatives (1999)

The synthesis of 1-alkyl- and 1-aryl-1H-naphtho[2,3-c]pyran-5,10-diones, bearing a C(3)−C(4) double bond, was performed by two alternative cyclization strategies of 2,3-disubstituted 1,4-naphthoquinones. Lemieux−Johnson oxidation of 2-allyl-3-hydroxymethyl-1,4-dimethoxynaphthalenes and subsequent oxidative demethylation of the intermediate 3,4-dihydro-5,10-dimethoxy-1H-naphtho[2,3-c]pyran-3-oles to the corresponding 3,4-dihydro-3-hydroxy-1H-naphtho[2,3-c]pyran-5,10-diones gave, after acid-catalyzed dehydration, the desired 1H-naphtho[2,3-c]pyran-5,10-diones. Alternatively, the pyranonaphthoquinone ring system was constructed by intramolecular acid-catalyzed condensation of (3-hydroxymethyl-1,4-naphthoquinone-2-yl)acetaldehyde acetals. Using this synthetic approach, the synthesis of two naturally occurring naphthoquinone antibiotics, pentalongin and psychorubrin, is reported.
Vaccine Protection Against Functional CTL Abnormalities in Simian Human Immunodeficiency Virus-Infected Rhesus Monkeys (2002)

Accumulating evidence suggests that HIV-specific CD8(+) CTL are dysfunctional in HIV-infected individuals with progressive clinical disease. In the present studies, cytokine production by virus-specific CTL was assessed in the rhesus monkey model for AIDS to determine its contribution to the functional impairment of CTL. CTL from monkeys infected with nonpathogenic isolates of simian and simian-human immunodeficiency virus expressed high levels of IFN-gamma, TNF-alpha, and IL-2 after in vitro exposure to a nonspecific mitogen or the optimal peptide representing a dominant virus-specific CTL epitope. However, similarly performed studies assessing these capabilities in CTL from monkeys infected with pathogenic immunodeficiency virus isolates demonstrated a significant dysfunction in the ability of the CTL to produce IL-2 and TNF-alpha. Importantly, CTL from vaccinated monkeys that effectively controlled the replication of a highly pathogenic simian-human immunodeficiency virus isolate following challenge demonstrated a preserved capacity to produce these cytokines. These experiments suggest that defects in cytokine production may contribute to CTL dysfunction in chronic HIV or SIV infection. Moreover, an AIDS vaccine that confers protection against clinical disease evolution in this experimental model also preserves the functional capacity of these CTL to produce both IL-2 and TNF-alpha.
Very-Small-Angle Charge Exchange inHe++ He Collisions (1972)

The results of our earlier charge-exchange measurements in ${\mathrm{He}}^{+}$ + He collisions are extended down to scattering angles of 0.05\ifmmode^\circ\else\textdegree\fi{} at energies of 1.00, 2.00, and 3.00 keV. The structure in the probability of charge exchange as a function of angle is clearly demonstrated. At very small angles the incident beam interferes with scattering measurements, and a technique for studying structure in this angular region is described.
An empirical task analysis of warehouse order picking using head-mounted displays (2010)

Evaluations of task guidance systems often focus on evaluations of new technologies rather than comparing the nuances of interaction across the various systems. One common domain for task guidance systems is warehouse order picking. We present a method involving an easily reproducible ecologically motivated order picking environment for quantitative user studies designed to reveal differences in interactions. Using this environment, we perform a 12 participant within-subjects experiment demonstrating the advantages of a head-mounted display based picking chart over a traditional text-based pick list, a paper-based graphical pick chart, and a mobile pick-by-voice system. The test environment proved sufficiently sensitive, showing statistically significant results along several metrics with the head-mounted display system performing the best. We also provide a detailed analysis of the strategies adopted by our participants.