gebhart/patrepeval huggingface dataset:
RNA: Opening New Doors in Medicinal Chemistry, a Special Issue (2021)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTRNA: Opening New Doors in Medicinal Chemistry, a Special IssueAmanda L. GarnerAmanda L. GarnerMore by Amanda L. Garnerhttps://orcid.org/0000-0002-0870-3347 and Stevan W. DjuricStevan W. DjuricMore by Stevan W. DjuricCite this: ACS Med. Chem. Lett. 2021, 12, 6, 851–853Publication Date (Web):June 10, 2021Publication History Published online10 June 2021Published inissue 10 June 2021https://pubs.acs.org/doi/10.1021/acsmedchemlett.1c00279https://doi.org/10.1021/acsmedchemlett.1c00279editorialACS PublicationsCopyright © 2021 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views2948Altmetric-Citations2LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (609 KB) Get e-AlertscloseSUBJECTS:Drug discovery,Genetics,Pharmaceuticals,Small molecules,Targeting Get e-Alerts
Simultaneous machine translation of german lectures into english: Investigating research challenges for the future (2008)

An increasingly globalized world fosters the exchange of students, researchers or employees. As a result, situations in which people of different native tongues are listening to the same lecture become more and more frequent. In many such situations, human interpreters are prohibitively expensive or simply not available. For this reason, and because first prototypes have already demonstrated the feasibility of such systems, automatic translation of lectures receives increasing attention. A large vocabulary and strong variations in speaking style make lecture translation a challenging, however not hopeless, task. The scope of this paper is to investigate a variety of challenges and to highlight possible solutions in building a system for simultaneous translation of lectures from German to English. While some of the investigated challenges are more general, e.g. environment robustness, other challenges are more specific for this particular task, e.g. pronunciation of foreign words or sentence segmentation. We also report our progress in building an end-to-end system and analyze its performance in terms of objective and subjective measures.
The Bis-Phenyltin-Substituted, Lone-Pair-Containing Tungstoarsenate [(C6H5Sn)2As2W19O67(H2O)]8- (2004)

The bis-phenyltin-substituted, lone-pair-containing tungstoarsenate [(C(6)H(5)Sn)(2)As(2)W(19)O(67)(H(2)O)](8)(-) (1) has been synthesized and characterized by multinuclear NMR, IR, and elemental analysis. Single-crystal X-ray analysis was carried out on (NH(4))(7)Na[(C(6)H(5)Sn)(2)As(2)W(19)O(67)(H(2)O)].17.5H(2)O (NH(4)(-1), which crystallizes in the monoclinic system, space group P2(1)/c, with a = 18.3127(17) A, b = 24.403(2) A, c = 22.965(2) A, beta = 106.223(2) degrees, and Z = 4. Polyanion 1 consists of two B-alpha-(As(III)W(9)O(33)) Keggin moieties linked via a WO(H(2)O) fragment and two SnC(6)H(5) groups leading to a sandwich-type structure with nominal C(2)(v) symmetry. Polyanion 1 is stable in solution as indicated by the expected 6-line pattern (4:4:4:4:2:1) in (183)W NMR and the expected (119)Sn, (13)C, and (1)H NMR spectra. Synthesis of 1 was accomplished by reaction of C(6)H(5)SnCl(3) and K(14)[As(2)W(19)O(67)(H(2)O)] in a 2:1 molar ratio in aqueous acidic medium (pH 2). In the solid-state structure of NH(4)(-1, neighboring polyanions are weakly bound via W-O-Na bonds leading to chains which interact with each other via the phenyl rings resulting in a 2-D assembly.
Natural Convection Heat Transfer in a Cubic Cavity Submitted to Time-Periodic Sidewall Temperature (2014)

The laminar unsteady natural convection in a cubic cavity is comprehensively studied here using a high accuracy temporal-spatial pseudospectral method. In this study, the cavity is filled with air and one of its sidewalls is submitted to sinusoidally varying temperature, while constant lower temperature is imposed on the opposing sidewall and other sidewalls are adiabatic. Computations are performed to explore the effects of several influential factors on the fluid flow patterns and heat transfer performances within the cavity, including Rayleigh number and the amplitude and period of pulsating sidewall temperature. Numerical results reveal that the heat transfer enhancement is complexly determined by the above influential factors, and the heat transfer resonance is observed in the case of a large Rayleigh number and amplitude of pulsating sidewall temperature. The three-dimensional effects on fluid flow patterns and heat transfer are discussed. Finally, the backward heat transfer is quantitatively studied.
Introduction (2011)

Spoken language understanding (SLU) is currently an emerging field in the intersection of speech processing, natural language processing (NLP) by leveraging technologies from machine learning (ML) and artificial intelligence (AI). This introductory chapter provides a brief overview of the organization of this book, which covers the state-of-the-art approaches for each of the SLU tasks, with chapters written by well-known researchers in the respective fields. It is proposed for graduate courses in electronics engineering and/or computer science. However it can also be useful to social science graduates with field expertise such as psycholinguists, linguists, and to other technologists. These SLU tasks can be grouped into two categories based on their main intended application area, processing human/human or human/machine conversations. Controlled Vocabulary Terms human computer interaction; learning (artificial intelligence); natural language processing; speech processing
The influence of soccer cleat design on resultant joint moments (2010)

Footwear traction has previously been associated with lower extremity injury such as ankle and knee sprains. Recent changes in soccer shoe cleat design such as the introduction of bladed cleats have the potential to dramatically affect footwear traction. Therefore, the purpose of this study was to determine how soccer cleats of different designs and traction influence resultant ankle and knee joint moments during soccer movements. Two traditional soccer cleat designs and one bladed cleat design were compared to a standard running shoe as the control condition. Translational and rotational traction of the shoes on artificial turf were measured using a Stewart platform. Ankle and knee joint moments were quantified on a group of 12 recreational soccer players while performing cutting and turning movements at 4.0 m s−1 on the same artificial turf. All soccer shoes had significantly higher rotational traction than the running shoe but there were no significant differences between cleat designs. The bladed cleat design had significantly higher translational traction than the traditional cleat designs. As a result, the bladed cleat design that was tested appears effective at decoupling translational and rotational traction characteristics of soccer shoes, which could potentially be beneficial in reducing injuries. There were no significant differences in resultant ankle and knee joint moments between the shoes during the cutting movement. During the turning movement, the cleated shoes had significantly higher ankle and knee rotation moments than the control running shoe. Thus, increased rotational traction increases ankle and knee joint loading which in turn could lead to a greater incidence of injury, however, it is important to note that this was only true during a rotational movement.
Color Reproduction of Metallic-Ink Images (2016)

We study the color reproduction of full-color metallic-ink images. Full-color metallic-ink images are prints whose contributing colorants are exclusively made of colored metallic inks. Due to the presence of metallic particles, metallic inks show a metal-like luster. These particles are opaque and hide the underlying ink or substrate. In order to obtain predictable halftone colors, we need a juxtaposed halftoning method to create halftone dots of different colors side by side without overlapping. Juxtaposed halftoning invalidates many assumptions generally made for the color-reproduction workflow. For printing metallic-ink images, one needs a color-separation system creating surface coverages for the eight metallic inks that correspond to the eight Neugebauer primaries. For this purpose, we introduce a simple and fast method for N-color separation that relies either on Demichel&#x2019;s or on a variant of Kueppers&#x2019; ink-to-colorant separations. Thanks to a unique set of ink-to-colorant formulas, pseudo-CMY ink values are separated into amounts of printable colorants. We also describe color-separation procedures that are able to optimize different properties of the resulting metallic-ink images.
Controllers of apoptosis in herniated and diseased intervertebral disc (2004)

Introduction Cell death in intervertebral disc is common, and this may account for the degeneration of discs occurring relatively early in life in comparison to other connective tissues. Apoptosis, or programmed cell death, provides an efficient mechanism for degrading and disposing of dying cells, minimizing the chance of an inflammatory response; necrosis, in contrast, is uncontrolled and more damaging. The type of cell death in intervertebral disc is not well studied. Disruption of the control system for apoptosis could well play a role in disc diseases, resulting in premature cell death and malfunctioning of the tissue. We have studied the presence of three proteins, members of the Bcl‐2 family, which are either pro‐ or anti‐apoptotic, in herniated and diseased intervertebral disc. Materials and methods Thirty‐seven intervertebral discs from 36 patients aged 16–71 years (with spondylolisthesis, low back pain or disc herniations) were immunostained for the presence of members of the Bcl‐2 family of proteins: BAK, which is pro‐apoptotic and Bcl‐X and Bcl‐2, which are anti‐apoptotic. Polyclonal antibodies were raised against synthetic peptides corresponding to the human proteins. Indirect immunohistochemistry was carried out labelling with DAB. Controls were performed using antibody preabsorbed with the antigen in place of the primary antibody. The prevalence of positively stained cells was scored on a scale of 0–3. Results There was staining of some cells for all the markers studied in all but three samples. Most samples had approximately 30% of cells staining positively. Staining was generally greater for cells in clusters (more commonly found in degenerate discs) than single cells, particularly for BAK. All antigens were present in the same cluster of cells, sometimes possibly produced by the same cells. There was a positive correlation between staining for all three members of the Bcl‐2 family, both apoptosis‐promoting and ‐inhibiting. Discussion This preliminary study suggests that members of the Bcl‐2 family play a role in regulating cell death via apoptosis, at least in diseased human intervertebral discs. Apoptosis of prolapsed disc tissue may be the least deleterious way for the tissue to ‘self destruct’. Both pro‐ and anti‐apoptotic markers are present in the same region, which at first glance may appear surprising. However, Bcl‐2 and Bcl‐x promote apoptosis on homodimerization. One manner in which BAK inhibits apoptosis is by binding to Bcl‐2 and Bcl‐x and preventing this occurring. In addition, the presence of pro‐ and anti‐apoptotic members of the Bcl family may simply indicate that regulatory pathways of cell survival or death have been initiated within the cells. The fate of these cells may well depend on relative levels of expression or activity of these pro‐ or anti‐apoptotic factors within a given cell. Hence, the production and interaction of various members of these multigene families within the apoptotic pathway in intervertebral disc remains to be clarified.
Channel drop filter using a single defect in a 2-D photonic crystal slab waveguide (2002)

This paper describes a theoretical and experimental analysis of the channel drop filter using a single defect formed near the two-dimensional (2-D) photonic crystal slab waveguide. First, we calculate the transmission spectrum of a 2-D photonic crystal waveguide and show that high transmittance for a wide wavelength range (/spl sim/60 nm) is obtained in the 1.55-/spl mu/m region. We also show that a defect state having a wavelength within the high transmission wavelength range can be formed in the photonic bandgap by introducing a single defect of appropriate radius. Next, we fabricate several devices and show that the emission wavelength from each defect can be tuned by changing the defect radius. The measured tuning characteristics coincide well with the calculated results. From the near-field pattern of the device, we estimate the emission efficiency of the present device at almost a few tens percent. We clarify the structural condition in order to obtain the maximum output efficiency and show that tuning of emission wavelength while maintaining high output efficiency is possible by selecting appropriate defect radius and position. Based on these results, we propose an ultrasmall channel drop filter for a wavelength-division-multiplex optical communication system.
Abstract 1222: Developing kinase inhibitors with polypharmacological profiles for the treatment of resistant cancers (2017)

Abstract Small molecule kinase inhibitors targeting a specific oncoprotein driving cancer cells have shown great clinical success in the past (e.g. imatinib against leukemia). However, resistance to targeted therapies quickly arises due to plasticity associated with cancer cell signaling and tumor heterogeneity. One way to overcome this problem is to rationally design drugs with polypharmacology that can target multiple signaling pathways engaging in cancer cell proliferation and survival. To this end, we have developed a strategy based on combining phenotypic screens of small molecule inhibitors and affinity-based mass spectrometry to identify drugs with multi-targeted properties and piloted this approach using the highly resistant KRAS mutant non-small cell lung cancer cell lines. We began this study by screening kinase inhibitors targeting MEK, ERK, PI3K, Akt and mTOR and found that the lung cancer cells were largely resistant to single drugs but showed enhanced sensitivity towards triple inhibition of MEK, ERK and PI3K. These cell lines were then screened with a library of covalent and non-covalent kinase inhibitors in an attempt to identify a small molecule inhibitor that could mimic the activity of the triple drug combination. This led to the discovery of SM1-71 that not only recapitulated the growth inhibitory activity of MEK+ERK+PI3K inhibition, but also blocked phosphorylation of ERK, Akt, mTOR and S6K in cells. Target profiling of the drug was carried out using chemoproteomics, which revealed that SM1-71 inhibited 55 kinases at a 1μM concentration. Dose-dependent evaluation further determined the IC50 of inhibition across the 55 kinases and rank ordered them based on binding affinity. Top hits including MEK1, MEK2, ERK1, ERK2, AURKA, SRC and RPS6KA3 were confirmed using alternate kinase screens and cellular assays. Growth factor receptors such as IGF1R, MET and EGFR were also identified and further validated using cell-based assays. Taken together, these results elucidated the polypharmacology associated with SM1-71 and uncovered key targets responsible for inducing strong cytotoxicity in KRAS mutant lung cancer cells. Through the combination of phenotypic screens and mass spectrometry-based target identification, we have demonstrated the proof of principle for developing kinase inhibitors with polypharmacology targeting resistant cancers. Citation Format: Suman Rao, Tan Li, Robert Everley, Guangyan Du, Peter Sorger, Nathanael Gray. Developing kinase inhibitors with polypharmacological profiles for the treatment of resistant cancers [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2017; 2017 Apr 1-5; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2017;77(13 Suppl):Abstract nr 1222. doi:10.1158/1538-7445.AM2017-1222
ABINIT: Overview and focus on selected capabilities (2020)

abinit is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe-Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the "temperature-dependent effective potential" approach for anharmonic effects. Relying on planewaves for the representation of wavefunctions, density, and other space-dependent quantities, with pseudopotentials or projector-augmented waves (PAWs), it is well suited for the study of periodic materials, although nanostructures and molecules can be treated with the supercell technique. The present article starts with a brief description of the project, a summary of the theories upon which abinit relies, and a list of the associated capabilities. It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave codes or, in general, treatment of strongly correlated materials using DMFT; materials under finite electric fields; properties at nuclei (electric field gradient, Mössbauer shifts, and orbital magnetization); positron annihilation; Raman intensities and electro-optic effect; and DFPT calculations of response to strain perturbation (elastic constants and piezoelectricity), spatial dispersion (flexoelectricity), electronic mobility, temperature dependence of the gap, and spin-magnetic-field perturbation. The abinit DFPT implementation is very general, including systems with van der Waals interaction or with noncollinear magnetism. Community projects are also described: generation of pseudopotential and PAW datasets, high-throughput calculations (databases of phonon band structure, second-harmonic generation, and GW computations of bandgaps), and the library libpaw. abinit has strong links with many other software projects that are briefly mentioned.
High Speed Mid-Wave Infrared Uni-traveling Carrier Photodetector (2020)

Mid-wave infrared (MWIR) frequency comb is expected to dramatically improve the precision and sensitivity of molecular spectroscopy. For high resolution application, high speed MWIR photodetector is one of the key components, however, the commercially available high speed MWIR photodetector only has sub-GHz bandwidth currently. In this paper, we demonstrate, for the first time to our knowledge, a high speed mid-wave infrared (MWIR) uni-traveling carrier photodetector based on InAs/GaSb type-II superlattice (T2SL) at room temperature. The device exhibits a cutoff wavelength of 5.6μm, and 3dB bandwidth of 6.58 GHz for a 20μm diameter device at 300K. These promising results show the device has potential to be utilized in high speed applications such as frequency comb spectroscopy, free space communication and others. The limitations on the high frequency performance of the photodetectors are also discussed.
Synthesis and Characterization of Nanocrystalline Zinc Manganese Ferrite (2011)

Zn x Mn 1− x Fe 2 O 4 is a prototypical soft magnetic material, and commonly used for high‐frequency applications due to its low power loss and high permeability and resistivity. Various wet chemistry routes have been developed for synthesizing Zn x Mn 1− x Fe 2 O 4 ; however, multistep procedures are usually involved in these methods, making them complex in implementation. Here, we use a facile chelate method to prepare Zn x Mn 1− x Fe 2 O 4 sol precursor for fabricating both fine powders and nanocrystalline thin films. X‐ray diffraction and electron microscopy techniques are used to characterize the microstructure and composition of as‐synthesized Zn x Mn 1− x Fe 2 O 4 , and superconducting quantum interface device is used to measure their magnetic properties. The investigation of powders with different Zn/Mn cation concentration indicates that the saturation magnetization is determined by the content parameter x ; while the coercive field is closely correlated to the crystal size. Further, Zn 0.4 Mn 0.6 Fe 2 O 4 thin films were deposited using spin‐coating technique, and annealed at different temperatures to study the formation of the impurity phase.
ChemInform Abstract: Unusual Reactivity of Pentafluorobenzyl Aromatic Ethers Under Friedel‐ Crafts Reaction Conditions. (1993)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ESR Modeling of Class II MLCC Large-Signal-Excitation Losses (2023)

Multilayer ceramic capacitors (MLCCs) with ferroelectric Class II dielectrics enable extremely high volumetric capacitance density, and are therefore preferred in high-power-density power conversion. These MLCCs, though, suffer from a nonlinear dielectric constant and substantial low-frequency, large-signal excitation losses. Previously, a Steinmetz-parameter-based loss model accurately described these large-signal losses in MLCCs, but a difficult peak-charge measurement was required. For magnetic materials, a Steinmetz-based model is translated to an operating-point-specific effective series resistance (ESR) model, which then allows for a low-complexity loss calculation. In this letter, we introduce and verify an ESR-based loss model for MLCCs, with the ESR derived from the MLCC Steinmetz parameters. Our modeling error is below <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex-math notation="LaTeX">${25}{\%}$</tex-math></inline-formula> across all evaluated operating points, a major improvement over modeling with the small-signal ESR provided in the MLCC datasheet, which may result in a loss approximation error of up to 10×.
Effect of Mechanical Alloying on the Microstructure and Properties of C-Doped ${\rm MgB}_{2}$ Wire by Ex-Situ Process (2009)

We fabricated C-doped MgB <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> wires using the <i xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">ex-situ</i> process via the mechanical alloying (MA) technique to improve the doping effect and evaluated the effect of MA and C content on the phase formation, microstructure, and critical properties. The mixtures of MgB <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> and 0, 1, and 5 at% carbon black (CB) powders underwent MA using a planetary ball mill system for 25 hours. The powders were loaded into Fe tubes, drawn into wires, and sintered at 1000degC for 1 hour in flowing Ar gas.