gebhart/patrepeval huggingface dataset:
Isolation of Antidiabetic Withanolides from Withania coagulans Dunal and Their In Vitro and In Silico Validation (2020)

<i>Withania coagulans</i> (<i>W. coagulans</i>) is well-known in herbal medicinal systems for its high biological potential. Different parts of the plant are used against insomnia, liver complications, asthma, and biliousness, as well as it is reported to be sedative, emetic, diuretic, antidiabetic antimicrobial, anti-inflammatory, antitumor, hepatoprotective, antihyperglycemic, cardiovascular, immuno-suppressive and central nervous system depressant. Withanolides present in <i>W. coagulans</i> have attracted an immense interest in the scientific field due to their diverse therapeutic applications. The current study deals with chemical and biological evaluation of chloroform, and <i>n</i>-butanol fractions of <i>W. coagulans</i>. The activity-guided fractionation of both extracts via multiple chromatographic steps and structure elucidation of pure isolates using spectroscopies (NMR, mass spectrometry, FTIR and UV-Vis) led to the identification of a new withanolide glycoside, withacogulanoside-B (<b>1</b>) from <i>n</i>-butanol extract and five known withanolides from chloroform extract [withanolid J (<b>2</b>), coagulin E (<b>3</b>), withaperuvin C (<b>4</b>), 27-hydroxywithanolide I (<b>5</b>), and ajugin E (<b>6</b>)]. Among the tested compounds, compound <b>5</b> was the most potent <i>α</i>-glucosidase inhibitor with <i>IC<sub>50</sub></i> = 66.7 ± 3.6 µM, followed by compound <b>4</b> (<i>IC<sub>50</sub></i>: 407 ± 4.5 µM) and compound <b>2</b> (<i>IC<sub>50</sub></i>: 683 ± 0.94 µM), while no antiglycation activity was observed with the six isolated compounds. Molecular docking was used to predict the binding potential and binding site interactions of these compounds as <i>α</i>-glucosidase inhibitors. Consequently, this study provides basis to discover specific antidiabetic compounds from <i>W. coagulans</i>.
ContainerLeaks: Emerging Security Threats of Information Leakages in Container Clouds (2017)

Container technology provides a lightweight operating system level virtual hosting environment. Its emergence profoundly changes the development and deployment paradigms of multi-tier distributed applications. However, due to the incomplete implementation of system resource isolation mechanisms in the Linux kernel, some security concerns still exist for multiple containers sharing an operating system kernel on a multi-tenancy container cloud service. In this paper, we first present the information leakage channels we discovered that are accessible within the containers. Such channels expose a spectrum of system-wide host information to the containers without proper resource partitioning. By exploiting such leaked host information, it becomes much easier for malicious adversaries (acting as tenants in the container clouds) to launch advanced attacks that might impact the reliability of cloud services. Additionally, we discuss the root causes of the containers' information leakages and propose a two-stage defense approach. As demonstrated in the evaluation, our solution is effective and incurs trivial performance overhead.
The synthesis and hydrogen storage properties of a MgH2incorporated carbon aerogel scaffold (2009)

A new approach to the incorporation of MgH2 in the nanometer-sized pores of a carbon aerogel scaffold was developed, by infiltrating the aerogel with a solution of dibutylmagnesium (MgBu2) precursor, and then hydrogenating the incorporated MgBu2 to MgH2. The resulting impregnated material showed broad x-ray diffraction peaks of MgH2. The incorporated MgH2 was not visible using a transmission electron microscope, which indicated that the incorporated hydride was nanosized and confined in the nanoporous structure of the aerogel. The loading of MgH2 was determined as 15-17 wt%, of which 75% is reversible over ten cycles. Incorporated MgH2 had >5 times faster dehydrogenation kinetics than ball-milled activated MgH2, which may be attributed to the particle size of the former being smaller than that of the latter. Cycling tests of the incorporated MgH(2) showed that the dehydrogenation kinetics are unchanged over four cycles. Our results demonstrate that confinement of metal hydride materials in a nanoporous scaffold is an efficient way to avoid aggregation and improve cycling kinetics for hydrogen storage materials.
A novel architecture for LTE-B :C-plane/U-plane split and Phantom Cell concept (2012)

This paper introduces a novel approach in increasing the capacity of LTE cellular networks. The solution is based on massive deployment of small cells by leveraging high frequency reuse at high frequency bands in conjunction with a Macrocell. The presence, discovery and usage of the small cells are controlled dynamically by a Macrocell in a master-slave configuration hence they are called Phantom Cells. To realize this concept, a new method of managing the connections between mobile terminals and small cell nodes is introduced. It is achieved by splitting the Control and User (C/U) planes of the radio link. The combination of C/U-plane split and Phantom Cells can achieve high capacity enhancement using small cells at the same time taking into consideration mobility, scalability and flexibility requirements for massive deployment. The advantages of this approach as well as the implementation aspects are described in the paper. Simulations were also conducted to verify the concept and the results show some promising capacity enhancements. The rest of the paper describes the Phantom Cell concept as well as the challenges of deploying small cells in LTE networks.
Top tips on scanning probes (1994)

I read with interest the feature on scanning probe microscopy by Mark Welland in your March issue ("New tunnels to the surface" p32) as well as the subsequent interview with Gary Aden of Topometrix Inc by Joe McEntee ("Fine tips engineer atomic and molecular opportunities" p67).
Bag of Optical Flow Volumes for Image Sequence Recognition (2009)

This paper introduces a novel 3D interest point detector and feature representation for describing image sequences. The approach considers image sequences as spatiotemporal volumes and detects Maximally Stable Volumes (MSVs) in efficiently calculated optical flow fields. This provides a set of binary optical flow volumes highlighting the dominant motions in the sequences. 3D interest points are sampled on the surface of the volumes which balance well between density and informativeness. The binary optical flow volumes are used as feature representation in a 3D shape context descriptor. A standard bag-of-words approach then allows building discriminant optical flow volume signatures for predicting class labels of previously unseen image sequences by machine learning algorithms. We evaluate the proposed method for the task of action recognition on the well-known Weizmann dataset, and show that we outperform recently proposed state-of-the-art 3D interest point detection and description methods.
Control of Protein Function through Optochemical Translocation (2014)

Controlled manipulation of proteins and their function is important in almost all biological disciplines. Here, we demonstrate control of protein activity with light. We present two different applications-light-triggered transcription and light-triggered protease cleavage-both based on the same concept of protein mislocation, followed by optochemically triggered translocation to an active cellular compartment. In our approach, we genetically encode a photocaged lysine into the nuclear localization signal (NLS) of the transcription factor SATB1. This blocks nuclear import of the protein until illumination induces caging group removal and release of the protein into the nucleus. In the first application, prepending this NLS to the transcription factor FOXO3 allows us to optochemically switch on its transcription activity. The second application uses the developed light-activated NLS to control nuclear import of TEV protease and subsequent cleavage of nuclear proteins containing TEV cleavage sites. The small size of the light-controlled NLS (only 20 amino acids) minimizes impact of its insertion on protein function and promises a general approach to a wide range of optochemical applications. Since the light-activated NLS is genetically encoded and optically triggered, it will prove useful to address a variety of problems requiring spatial and temporal control of protein function, for example, in stem-cell, developmental, and cancer biology.
Prediction of failure initiation in polypropylene with glass beads (1997)

Abstract The effect of glass bead content and residual stresses on failure initiation in isotactic polypropylene composites has been investigated by finite element analysis for the cases of interfacial debonding, plastic yielding, and cavitation. Residual thermal stresses are demonstrated to have a large effect on global failure initiation stress. Yielding and cavitation occur at higher global stresses than debonding. Modeling results, as well as previous experimental data, support debonding as the initial failure mechanism.
<title>Optical proximity correction: a first look at manufacturability</title> (1994)

The feasibility of large scale optical proximity correction with a focus on mask manufacturability is demonstrated on the support and logic gates of a leading edge 64 Mb DRAM chip. Analysis of post reactive ion etch SEM data of the 500 - 600 nm, DUV exposed gates indicates two major contributors to across chip line width variation: first order proximity, that is, the minimum spacing to the nearest neighboring structure, and local area density or pattern loading. Data presented show a very long range (approximately equals 1 mm) impact of pattern density on post reactive ion etch line widths, favoring optical proximity correction approaches that are not based on biasing patterns to compensate for these effects. In this project, pattern density induced effects were alleviated by homogenizing the pattern loading across the chip to approximately 50% instead of biasing the gate structures to compensate for pattern density differences. Proximity induced effects were compensated for with a one- dimensional, single parameter (distance to nearest neighbor), four bucket proximity correction routine with a strong focus on mask manufacturability. Even though the unbiased 64 Mb DRAM gate level challenges mask makers with 480 MB of MEBES data, the optical proximity corrected mask posed no substantial post-processing, writing, or inspection problems in IBM's Burlington, Vermont maskhouse. A very significant 80% reduction in post reactive ion etch across chip line width variation was achieved with this corrected mask.
Theoretical treatment of quasibound resonances in two-color resonant four-wave mixing spectroscopy (1998)

A treatment of continuum states in the application of diagrammatic perturbation theory to calculate the signal produced in two-color resonant, four-wave mixing (TC-RFWM) spectroscopy is developed. The third-order susceptibility is significantly modified from that obtained when considering only discrete states. To illustrate the contribution of continuum states, the line profile of a quasibound resonance arising from the configuration interaction of bound and continuum states is derived. Analytic expressions for line profiles are presented for two specific experimental implementations of TC-RFWM used in gas-phase spectroscopic studies. While the TC-RFWM line profiles are found to be very distinct from the line profiles measured in linear spectroscopic techniques, the results demonstrate the important capability to characterize the TC-RFWM line profiles in terms of the same fundamental and physically significant parameters.
In Silico Determined Properties of Designed Superoxide Dismutase-1 Mutants Predict ALS-like Phenotypes In Vitro and In Vivo (2018)

Abstract The underlying physical causes of SOD1-related ALS are still not well-understood. We address this problem here by computationally designing two de novo mutants, A89R and K128N, which were predicted theoretically to be either significantly destabilizing or stabilizing respectively. We subjected these in silico designed mutants to a series of experimental tests, including in vitro measures of thermodynamic stability, cell-based aggregation and toxicity assays, and an in vivo developmental model of zebrafish motor neuron axonopathy. The experimental tests validated the theoretical predictions: A89R is an unstable, highly-deleterious mutant, and K128N is a stable, non-toxic mutant. Moreover, K128N is predicted computationally to form an unusually stable heterodimer with the familial ALS mutant A4V. Consistent with this prediction, co-injection of K128N and A4V into zebrafish shows profound rescue of motor neuron pathology. The demonstrated success of these first principles calculations to predict the physical properties of SOD1 mutants holds promise for rationally designed therapies to counter the progression of ALS. Significance Mutations in the protein superoxide dismutase cause ALS, and many of these mutants have decreased folding stability. We sought to pursue this thread using a synthetic biology approach, where we designed two de novo mutations, one stabilizing and one destabilizing, as predicted using computational molecular dynamics simulations. We then tested these mutants using in vitro , cell-based, and in vivo zebrafish models. We found that the unstable mutant was toxic, and induced a severe ALS phenotype in zebrafish; the predicted stable mutant, on the other hand, behaved even better than WT. In fact, it was able to rescue the ALS phenotype caused by mutant SOD1. We propose a mechanism for this rescue, which may provide an avenue for therapeutic intervention.
Synthesis, characterization, and photoinduced electron transfer properties of core-functionalized perylene-3,4:9,10-bis(dicarboximide)s with pendant anthracenes (2011)

A series of donor–acceptor molecules consisting of core-brominated and -cyanated perylene-3,4:9,10-bis(dicarboximide) (PDI) structures covalently linked to two terminal pendant alkylanthracenes (A) is described. These hybrid molecules, having varying alkyl tether lengths as well as PDI electron affinities, were synthesized by condensation of a 1,7-dibromoperylene tetracarboxylic acid anhydride with the appropriate aminoalkylanthracene, followed by cyanation with CuCN. Thermal, optical, and electrochemical properties were characterized. PDI moiety photoexcitation results in pendant anthracene oxidation, generating 1(A+˙-PDI−˙-A) species. The solution dynamics of this one-electron charge separation were characterized by ultrafast transient absorption spectroscopy, and charge separation rates are found to vary with alkyl tether length. Trends in these rates are attributed to solution phase geometric variations of the PDI-A structure, reflecting the flexibility of the spacer.
Measurements and modeling of soft underlayer materials for perpendicular magnetic recording (2002)

Measurements and modeling of soft magnetic underlayer (SUL) materials for perpendicular magnetic recording application are carried out. The process dependent magnetic properties of FeCoB, CoZrNb, and FeAlN SUL materials on glass and aluminum disk substrates are studied and correlated with spin-stand noise performance. The SUL-induced dc noise amplitude approaches the electronic noise floor for certain material combinations, e.g., FeCoB or CoZrNb on glass, when care is taken to relieve stress-induced perpendicular anisotropy by thermal annealing. Landau-Lifshitz-Gilbert micromagnetics, finite-element method calculations, and a micromagnetic recording model show that write field amplitude, write field gradient, and readback waveform are only slightly impacted by SUL moment in the 1-2 T range. Much more important are the head-to-SUL distance and the write head saturation moment. These results suggest that extremely high SUL moment may not be necessary, which can be leveraged to meet other key practical requirements such as corrosion resistance and manufacturability.
ChemInform Abstract: CHEMOSELECTIVE OXIDATION OF SULFIDES TO SULFONES WITH POTASSIUM HYDROGEN PERSULFATE (1981)

Abstract Kalium‐hydrogen‐persulfat oxidiert Thioanisol (I) zum Sulfon (II).
Beyond a Gasotransmitter: Hydrogen Sulfide and Polysulfide in Cardiovascular Health and Immune Response (2017)

Additional studies regarding persulfide and polysulfide formation and molecular reactions are needed in nearly all aspects of biology to better understand how sulfide metabolites contribute to key chemical biology reactions involved in cardiovascular health and immune responses. Antioxid. Redox Signal. 27, 634-653.
A Mutation in Cartilage Oligomeric Matrix Protein (COMP) Causes Early-Onset Osteoarthritis in a Large Kindred Study (2011)

We performed a genome-wide linkage analysis to identify susceptibility loci in a large six-generation extended family previously reported with early-onset osteoarthritis (OA) DNA sequencing was performed to investigate involvement of the COMP (Cartilage oligomeric matrix protein) gene in this family. The region covering D19S884, D19S226, and D19S414 on chromosome 19p following genome-wide scan from 70 individuals of this kindred showed significant linkage, with a maximum point LOD (logarithm of the odds ratio) score of 2.51 at D19S226. Direct sequencing of the COMP gene, the most plausible candidate gene in the region, identified a c.2152C>T substitution in exon 18 which resulted in a substitution of tryptophan for arginine at position 718 located in the C terminal globular domain of the gene product. A total of 26 individuals were identified with this mutation of which 21 affected individuals had the mutation, and the other five younger individuals (18.6 ± 11.3 years of age) carried the mutation without symptoms. The results indicate that COMP is the disease susceptibility gene and the c.2152C>T mutation in exon 18 could cause early-onset OA phenotypes in this kindred, which is compatible with a previous report that this mutation also causes a mild form of multiple epiphyseal dysplasia (MED).
Nanopolar reorientation in ferroelectric thin films (2001)

The influence of varying oxygen pressure P(O2) during the growth of Ba0.4Sr0.6TiO3 thin films is investigated using dielectric and local optical probes. A transition from in-plane to out-of-plane ferroelectricity is observed with increasing P(O2). Signatures of in-plane and out-of-plane ferroelectricity are identified using dielectric response and time-resolved confocal scanning optical microscopy (TRCSOM). At the crossover pressure between in-plane and out-of-plane polarization (Pc=85 mTorr), TRCSOM measurements reveal a soft, highly dispersive out-of-plane polarization that reorients in plane under modest applied electric fields. At higher deposition pressures, the out-of-plane polarization is hardened and is less dispersive at microwave frequencies, and the dielectric tuning is suppressed. Nanopolar reorientation is believed to be responsible for the marked increase in dielectric tuning at P(O2)=Pc.
Advances in Online Monitoring and Localization of Partial Discharges in Large Rotating Machines (2004)

Some of the problems facing partial discharge (PD) measurements in rotating machines, especially during online measurements are: i) calibration of the measurements; ii) high noise levels interfering with both the measurement system and the winding under the test; as well as iii) attenuation and distortion of PD signals during transmission from the source point to the winding terminals. This paper presents a new technique and a measuring system for online PD monitoring of large rotating machines, developed by the authors. With this technique, the above mentioned problems are improved considerably. PD detection is implemented for every stator coil and the coil that PD comes from can also be identified. Inductive coils are used for decoupling of PD pulses and processing of the detected signals is in accordance with the developed technique, denoted "Intech". Remote monitoring and navigation via a telephone link is one of the system features. The system was tested on both hydro and turbo generators with good results. The detection sensitivity of the system for the conventional machines is about 1 nC under operating condition.
Intrinsic sensitivity of CdZnTe semiconductors for digital radiographic imaging (2003)

The intrinsic sensitivity of Cd/sub 1-x/Zn/sub x/Te semiconductor detectors have been theoretically modeled and experimentally measured, within the X-ray diagnostic energy range. The purpose of this study is to optimize the detector signal parameters of these solid state ionization devices for digital imaging applications. The experimental results of this study indicate that Cd/sub 1-x/Zn/sub x/Te detectors exhibit good intrinsic sensitivity.
6‐4: Highly Efficient Deep Blue Thermally Activated Delayed Fluorescent Emitter (2018)

We report a highly efficient and deep blue thermally activated delayed fluorescence material. This emitter exhibits extremely short delayed exciton lifetime (0.98 μs), narrow spectrum (46 nm FWHM), and high PLQY (~90 %). Fabricated device with this emitter shows high efficiency of 21.6% with extremely deep blue color coordinate of (0.14, 0.07).
Investigation of Exciton Coupling in Oligothiophenes by Circular Dichroism Spectroscopy (1998)

The solid-state photophysical properties of semiconducting polymers result from the interplay between the intrinsic features of the polymer chains and interchain interactions. Exciton coupling, which in principle can be estimated from circular dichroism (CD) spectra, is one of the major interchain interactions affecting the optical properties of semiconducting polymers. Here the authors present a combined experimental and theoretical investigation of the chiroptical properties of oligothiophenes. The results confirm that the CD spectrum provides an independent estimate of the exciton coupling.
Design of a low F-number freeform off-axis three-mirror system with rectangular field-of-view (2014)

In this paper, a low F-number freeform off-axis three-mirror system with rectangular field-of-view (FOV) is presented, and the system has an integrated configuration that can be aligned with ordinary methods. The initial structure is solved analytically, and the optimization process is described in detail. This F/1.38 freeform system with a 4° × 5° FOV provides good imaging performance, especially in middle-wave and long-wave infrared bands. The primary mirror and the tertiary mirror are approximately tangent, so these two freeform mirrors can be fabricated on a single substrate. This configuration provides a solution to the practical application of freeform off-axis three-mirror systems. Additionally, a prototype of this system is demonstrated, and the imaging performance of the prototype is tested experimentally. The actual performance of the prototype is discussed and analyzed.
Tensor Completion for Radio Map Reconstruction using Low Rank and Smoothness (2019)

Radio maps are important enablers for many applications in wireless networks, ranging from network planning and optimization to fingerprint based localization. Sampling the complete map is prohibitively expensive in practice, so methods for reconstructing the complete map from a subset of measurements are increasingly gaining attention in the literature. In this paper, we propose two algorithms for this purpose, which build on existing approaches that aim at minimizing the tensor rank while additionally enforcing smoothness of the radio map. Experimental results with synthetic measurements derived via ray tracing show that our algorithms outperform state of the art techniques.