gebhart/patrepeval huggingface dataset:
Membrane-Mediated Electropolishing of Copper (2008)

Membrane-mediated electropolishing (MMEP) is a method for planarizing and polishing a metal anode using a charge-selective ion-conducting membrane to separate the cathode and electrolyte solution from a thin layer of deionized water covering the substrate. Unlike conventional electropolishing, the current density and rate of material removal are controlled by ohmic resistance of the interfacial water layer. By controlling the interfacial pressure and tangential velocity of the membrane with respect to the substrate, the principles of lubrication mechanics can be used to maintain the thickness of the water layer at much less than , thereby providing a high efficiency for planarizing submicrometer topographic features. This paper describes the process characterization and applications of MMEP for planarizing Cu substrates such as test wafers for the fabrication of Cu damascene circuitry on integrated circuits.
Rh(I)-Catalyzed Transformation of Propargyl Vinyl Ethers into (<i>E</i>,<i>Z</i>)-Dienals: Stereoelectronic Role of <i>trans</i> Effect in a Metal-Mediated Pericyclic Process and a Shift from Homogeneous to Heterogeneous Catalysis During a One-Pot Reaction (2013)

The combination of experiments and computations reveals unusual features of stereoselective Rh(I)-catalyzed transformation of propargyl vinyl ethers into (E,Z)-dienals. The first step, the conversion of propargyl vinyl ethers into allene aldehydes, proceeds under homogeneous conditions via a "cyclization-mediated" mechanism initiated by Rh(I) coordination at the alkyne. This path agrees well with the small experimental effects of substituents on the carbinol carbon. The key feature revealed by the computational study is the stereoelectronic effect of the ligand arrangement at the catalytic center. The rearrangement barriers significantly decrease due to the greater transfer of electron density from the catalytic metal center to the CO ligand oriented trans to the alkyne. This effect increases electrophilicity of the metal and lowers the calculated barriers by 9.0 kcal/mol. Subsequent evolution of the catalyst leads to the in situ formation of Rh(I) nanoclusters that catalyze stereoselective tautomerization. The intermediacy of heterogeneous catalysis by nanoclusters was confirmed by mercury poisoning, temperature-dependent sigmoidal kinetic curves, and dynamic light scattering. The combination of experiments and computations suggests that the initially formed allene-aldehyde product assists in the transformation of a homogeneous catalyst (or "a cocktail of catalysts") into nanoclusters, which in turn catalyze and control the stereochemistry of subsequent transformations.
Chemical Structure and Herbicidal Activity of 1, 2, 4-Triazole-carboxamide Derivatives. (1999)

新規な1,2,4-トリアゾールカルボキサミド誘導体について, タイヌビエに対する除草活性と移植イネに対する安全性を指標として, 構造と活性を検討した。1. 雑草発生前処理高いタイヌビエ除草活性と移植イネに対する安全性を保有するには, ベンゼン環の2位と6位が低級アルキル基や塩素原子で置換されていることが必要で, とくに2,6-ジメチル置換体, 2-メチル-6-エチル置換体, 2-メチル-6-塩素置換体および2,4,6-トリメチル置換体が, 優れた除草活性とイネ安全性を示した。カルバモイル基の置換様式は, N,N-ジエチルカルバモイル体およびN-エチル, N-プロピカルバモイル体が高活性に寄与し, アルキル基がメチルあるいはブチルでは劣った。イネに対してはいずれも高い安全性を示した。トリアゾール環とベンゼン環の結合様式は, SO2体が最も活性が高く, SO体およびS体は劣った。イネに対しては, いずれも高い安全性を示した。2. 雑草生育期処理雑草発生前処理で優れた除草活性を示した化合物について, 2.5葉期の生育期のタイヌビエに対する除草活性を検定した。その結果, N, N-ジエチル-3-メシチルスルポニル-1H-1,2,4-トリアゾール-1-カルボキサミド (一般名カフェンストロール) が最も高い除草活性を示した。
Targeting polysialic acid-abundant cancers using oncolytic adenoviruses with fibers fused to active bacteriophage borne endosialidase (2017)

Genetic replacement of adenoviral fiber knobs by ligands that enable tumor specific targeting of oncolytic adenoviruses is challenging because the fiber knob contributes to virus assembly. Here, we present a novel concept by describing stable recombinant adenoviruses with tumor specific infection mode. The fiber knob was replaced by endosialidaseNF (endoNF), the tailspike protein of bacteriophage K1F. EndoNF recognizes polysialic acid, an oncofetal antigen characteristic for high malignant tumors of neuroendocrine origin. An intramolecular chaperone contained in endoNF warrants folding and compensates for the knob function in virus assembly. Obtained recombinant viruses demonstrated polysialic acid dependent infection modes, strong oncolytic capacity with polysialic acid positive cells in culture and a high potential to inhibit tumor growth in a therapeutic mouse model of subcutaneous neuroblastoma. With a single genetic manipulation we achieved ablation of the fiber knob, introduction of a tumor specific ligand, and folding control over the chimeric fiber construct.
Recent results concerning the benefit of joint detection in CDMA systems (1993)

CDMA is a potential multiple access method for third generation cellular mobile radio systems. If accurate power control and soft handover have to be avoided, adequate CDMA system capacity can only be guaranteed by applying methods of interference suppression, which can be subdivided into interference cancellation and joint detection (JD). The basic principle of IC relies on the fact that the user signals radiated by different users arrive with unequal power levels at the receiver. These differences of power levels make it possible to detect, as a first step, the strongest user signal by, for example, a RAKE receiver, and to eliminate this signal from the total received signal. In subsequent steps, by repetition of this procedure all the other user signals can be detected in decreasing order of power levels. In the case of JD, the a-priori knowledge about the CDMA codes of the different users is exploited when separating the user signals simultaneously in the receiver. JD can only be performed if sufficient knowledge about the impulse responses of the involved radio channels is provided in the receiver. >
BAD-check (2015)

Leadership-scale scientific simulations running as tens of thousands of tightly-coupled MPI processes are vulnerable to interruption due to a single process or node failure. Due to the dependence of each state calculation on the successful completion of each of the prior state calculations, checkpoint-restart is the most widely-used technique to achieve fault tolerance. To write a consistent view of distributed state as a checkpoint, applications typically synchronize and pause while writing data to persistent media. In this paper we present a transactional protocol that enables asynchronous distributed creation of checkpoint data sets, and describe the conditions under which it is beneficial. With simulations, we demonstrate that scientific applications exhibiting computational variance without frequent synchronization can use our protocol to either reduce run time by up to 27% or reduce required storage system capability by up to 40%.
Abstract 2350: Discovery of potent and selective Mcl-1 inhibitors using fragment-based methods and structure-based design. (2013)

Abstract Myeloid cell leukemia 1 (Mcl-1), a member of the Bcl-2 family of proteins, is overexpressed and amplified in various cancers and promotes the aberrant survival of tumor cells that otherwise would undergo apoptosis. Overexpression of Mcl-1 is also a resistance mechanism that prevents tumor cells from being effectively treated by existing chemotherapies. Thus, inhibition of Mcl-1 is a promising therapeutic strategy for the treatment of cancer. However, Mcl-1 exerts its effects through protein-protein interactions and is thought to be very challenging to target with small molecules. Here we describe the discovery of potent and selective Mcl-1 inhibitors using fragment-based methods and structure-based design. From an NMR-based screen of a large fragment library, over 130 hits were identified. Two distinct chemical hit series were found that bind to two different sites on Mcl-1 as revealed by NMR-derived model structures. Members of the two fragment classes were merged together to produce compounds that bind to Mcl-1 with greater than two orders of magnitude improved binding affinity. Structures of these compounds when complexed to Mcl-1 were obtained by X-ray crystallography and provide detailed information about the molecular recognition involved in small-molecule binding to Mcl-1. Lead compounds exhibited a dissociation constant of &lt;100 nM, with selectivity for Mcl-1 over Bcl-xL and Bcl-2. These compounds represent useful starting points for the discovery of clinically useful Mcl-1 inhibitors for the treatment of a wide variety of cancers. Citation Format: Taekyu Lee, Anders Friberg, Dominico Vigil, Bin Zhao, R. Nathan Daniels, Jason P. Burke, Pedro M. Garcia-Barrantes, DeMarco Camper, Brian A. Chauder, Edward T. Olejniczak, Stephen W. Fesik. Discovery of potent and selective Mcl-1 inhibitors using fragment-based methods and structure-based design. [abstract]. In: Proceedings of the 104th Annual Meeting of the American Association for Cancer Research; 2013 Apr 6-10; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2013;73(8 Suppl):Abstract nr 2350. doi:10.1158/1538-7445.AM2013-2350
Distributed management of service-enabled flow-paths across multiple SDN domains (2015)

Future Internet may be comprised of interconnected multiple software-defined networks (SDN), where each domain is administered by a different controller or control plane. Provisioning of an end-to-end flow-path across such a network with specific service levels requires collaboration between domain controllers across control planes. A service-enabled flow-path shall be quality of service (QoS) enabled, reliable and/or secure, which requires a transport path with certain quantitative service level requirements such as high throughput, low packet loss, or high availability. Each SDN controller can autonomously determine such end-to-end flow-paths when all other SDN controllers periodically advertise to other controllers its available service-enabled paths. Doing so, each SDN controller is presented with several service-enabled path alternatives, crossing other domains, to choose from. We propose a multi-domain SDN controller design, wherein each SDN controller shares its network's “summarized” topology of service-enabled paths with other SDN controllers, such that all domains (controllers) have real-time autonomous decision making capability for end-to-end flow-path selection. We also describe how an SDN controller can reserve and release a flow traversing other SDN domains.
Grain-scale discrete analysis methods for real granular matter: Granular element and coupled Level Set-Discrete Element Methods (2014)

We present two recent grain-scale discrete analysis methods, namely the Granular Element Method (GEM) and coupled level set discrete element method (LS-DEM). These methods were developed to provide alternative means to capturing shape for discrete models in granular simulations. Our motivation originates from the need to probe granular assemblies at the grain scale using imaging experiments (Bowman et al. 2001, Andrade et al. 2012, Vlahinic et al. 2013), e.g. X-ray computed tomography (XRCT). At this scale, grain kinematics becomes an important micromechanical measure to understand macroscopic behaviour.
Splines and Active Shape Model for segmentation of pelvic x-ray images (2009)

X-ray segmentation is a challenging problem, particularly when dealing with complex bone structures such as the human pelvis. However, initial diagnosis of traumatic pelvic injuries is typically made via x-ray images, due to low cost and lack of disruption to the patient. Diagnosis is a complex task, as fractures in different regions of the pelvis display different characteristics. An effective decision-making system for such injuries therefore requires accurate segmentation of the key pelvic structures, so specific features may be searched for in the fracture detection process. Previous work in x-ray image segmentation has focused on the use of deformable model techniques, such as active shape model (ASM). However, the low resolution and blurred lines of x-ray images can cause the model to converge to false edges. This paper combines standard Active Shape Model with the use of cubic spline interpolation to regulate deformation, taking advantage of the natural curvature of the pelvic structure. This extended algorithm is compared with standard ASM on both normal and injured cases, and is shown to improve performance even in the presence of fracture.
Microseismic event localization by acoustic time reversal extrapolation (2016)

ABSTRACT Traditional ray-based methods for microseismic event localization require picking of P- and S-wave first arrivals, which is often time consuming. Polarization analysis for each event is often also needed to determine its absolute location. Location methods based on reverse time extrapolation avoid the need for first-arrival time picking. Traditional reverse time extrapolation only incorporates particle velocity or displacement wavefields. This is an incomplete approximation of the acoustic representation theorem, which leads to artifacts in the back-propagation process. For instance, if the incomplete approximation is used for microseismic event locations using three-component (3C) borehole recordings, it produces a ghost event on the opposite side of the well, which leads to ambiguous interpretations. We have developed representation-theorem-based reverse time extrapolation for microseismic event localization, combining the 3C particle velocities (displacements) and the pressure wavefield. The unwanted ghost location is removed by explicitly incorporating a wavefield and its spatial derivative. Moreover, polarization analysis is not needed, because wavefields will focus at its absolute location during back propagation. Determination of microseismic event locations using wavefield extrapolation also necessitates a robust focusing criterion. The Hough transform allows for accurate determination of source timing and location by summing wavefront energy in the time-space domain. Synthetic examples demonstrated the good performance of the wavefield extrapolation scheme and focusing criterion in complex velocity fields for borehole acquisition geometries.
Lessons from an LPS-deficient Neisseria meningitidis mutant (2003)

In the pathogen Neisseria meningitidis, a completely LPS-deficient but viable mutant can be obtained by insertional inactivation of the lpxA gene, encoding UDP-GlcNAc acyltransferase required for the first step of lipid A biosynthesis. The expression and assembly of integral outer membrane proteins in the absence of LPS is largely unaffected. However, the expression of iron limitation-inducible, cell surface-exposed lipoproteins is greatly reduced. Major changes were seen in the phospholipid composition, with a shift towards PE and PG species containing mostly shorter chain, saturated fatty acids. The presence of the capsular polysaccharide turned out to be essential for viability without LPS. The immunogenicity of outer membrane proteins in mice was greatly reduced for the LPS-deficient mutant, showing the importance of LPS as an internal adjuvant in such vaccines. Stimulation of MM6 cells and peripheral blood mononuclear cells showed that induction of TNF-α by whole meningococci was greatly reduced for the LPS-deficient mutant. However, even without LPS the mutant strain could still induce a significant inflammatory response.
Performance of a turbo coded system with DPSK modulation using enhanced decoding metrics and matched channel side information (2003)

The classical turbo decoding algorithm is based on the assumption that the input sequence to the decoder has been disturbed by a noise process that has a Gaussian distribution. For a DPSK waveform, the output statistics of a differentially coherent demodulator is nonGaussian. When this sequence is fed directly into the turbo decoder, particularly under a fading environment, the mismatch between decoder algorithm assumptions and actual input statistics can result in significant decoder performance degradation. This paper investigates the bit error performance for such a mismatch for the DPSK waveform. Techniques for forming enhanced turbo-decoding metrics with biased channel side information (CSI) are proposed. Using these new metrics, error performance in fading conditions is shown to improve significantly.
PF1092A, B and C, New Nonsteroidal Progesterone Receptor Ligands Produced by Penicillium oblatum. I. Taxonomy of Producing Strain, Fermentation, Isolation and Biological Activities. (1997)

Three new nonsteroidal progesterone receptor ligands, PF1092A, B and C, have been isolated from Penicillium oblatum. They were purified from the solid cultures of rice media using ethyl acetate extraction, silica gel and Sephadex LH-20 column chromatographies, and crystallization. All three ligands competitively inhibited [3H]-progesterone binding to porcine uteri cytosol preparations with IC50 of 3.0 x 10 nM (PF1092A), 2.2 x 10(2) nM (PF1092B) and 2.2 x 10(3) nM (PF1092C).
A Community-Centric Internet Portal for Stereotactic and Functional Neurosurgery with a Probabilistic Functional Atlas (2002)

The Internet portal for stereotactic and functional neurosurgery with a PFA potentially increases both the accuracy of targeting and the neurosurgeon's confidence. The portal may be useful for both experienced functional neurosurgeons who have studied numerous cases and novices in the field. The use of the PFA through this portal, and sharing and expanding its content by neurosurgeons represents a paradigm shift from manufacturer centric to community centric.
Planar, fully ion-implanted InP junction FETs with a nitride-registered gate metallization (1989)

A planar, fully ion-implanted indium phosphide (InP) junction FET (JFET) fabrication process is described, which utilizes n/sup +/ source-drain implantation, Be and Be/P p/sup +/ gate implantation, AuZn/Ni/TiW/Au nitride-registered gate metallization, and proximity rapid thermal annealing. Devices fabricated with this approach exhibited a maximum transconductance of 140 mS/mm, which is believed to be the highest reported for InP JFETs.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Measurement approach and design of the CubeSat Infrared Atmospheric Sounder (CIRAS) (2016)

The CubeSat Infrared Atmospheric Sounder (CIRAS) will measure upwelling infrared radiation of the Earth in the MWIR region of the spectrum from space on a CubeSat. The observed radiances have information of potential value to weather forecasting agencies and can be used to retrieve lower tropospheric temperature and water vapor globally for weather and climate science investigations. Multiple units can be flown to improve temporal coverage or in formation to provide new data products including 3D atmospheric motion vector winds. CIRAS incorporates key new instrument technologies including a 2D array of High Operating Temperature Barrier Infrared Detector (HOT-BIRD) material, selected for its high uniformity, low cost, low noise and higher operating temperatures than traditional materials. The detectors are hybridized to a commercial ROIC and commercial camera electronics. The second key technology is an MWIR Grating Spectrometer (MGS) designed to provide imaging spectroscopy for atmospheric sounding in a CubeSat volume. The MGS has no moving parts and includes an immersion grating to reduce the volume and reduce distortion. The third key technology is an infrared blackbody fabricated with black silicon to have very high emissivity in a flat plate construction. JPL will also develop the mechanical, electronic and thermal subsystems for CIRAS, while the spacecraft will be a commercially available CubeSat. The integrated system will be a complete 6U CubeSat capable of measuring temperature and water vapor profiles with good lower tropospheric sensitivity. The CIRAS is the first step towards the development of an Earth Observation Nanosatellite Infrared (EON-IR) capable of operational readiness to mitigate a potential loss of CrIS on JPSS or complement the current observing system with different orbit crossing times.
Cu-Based Catalysts Show Low Temperature Activity for Glycerol Conversion to Lactic Acid (2011)

Cu based catalysts with a base promoter are reported for the first time for the synthesis of lactic acid from glycerol without using either a reductant or an oxidant. The catalytic route presented here gives high yields at lower temperatures (473 K) and lower molar NaOH/glycerol ratios (1.5) compared to the known hydrothermal (553−573 K) route. Further, the Cu2O catalyst shows excellent recyclability.
Fibromodulin Enhances Angiogenesis during Cutaneous Wound Healing (2014)

Altogether, we demonstrated that in addition to reducing scar formation, FMOD also promotes angiogenesis. As blood vessels organize and regulate wound healing, its potent angiogenic properties will further expand the clinical application of FMOD for cutaneous healing of poorly vascularized wounds.
Rheological and Curing Behavior of a Newly Developed, Medium Viscous Acrylic Bone Cement (2011)

Percutaneous vertebroplasty, comprising an injection of polymethylmethacrylate (PMMA) bone cement into vertebral bodies, is a practical procedure for stabilization of osteoporotic compression fractures and other weakening lesions. Cement leakage is considered to be the major complication. The viscosity plays a key role in this context. At high viscosity, the risk of leakage is reduced; however, injection forces are highly increased, handling time is reduced. The purpose of the study was to investigate the rheological, handling and hardening behaviour of a newly developed medium viscous bone cement at different temperatures and by simulation of a temperature shift to body-temperature. The presented data give an impression on the injectability of the cement using different sized needles. It could be concluded, that the medium viscous cement shows an adequate working time for a broad temperature range and an acceptable hardening time of around 11 min after immersing the cement into a C environment.
Piezoelectric Ceramics for High Temperature Actuators (2009)

Abstract : High temperature piezoelectrics have been developed to expand the operating conditions of actuators for fuel modulation and dampening of high temperature structural parts. Development of high temperature piezoelectric ceramics will increase the efficiency of engines, decrease emissions and improve the life of structural components in aerospace and aeronautical applications that are strongly relevant to the Department of Defense missions. Actuators require application of electric field to obtain displacement that can be used to move loads, block or disturb flow at high frequencies and create acoustic and ultrasonic waves. Ceramics are stable at high temperatures, however their conductivity starts to increase.