gebhart/patrepeval huggingface dataset:
Nucleation Stage in the Ti(OPri)4 Sol−Gel Process (2001)

A spectroscopic study of the initial stage of the Ti(OPri)4 sol−gel process has been carried out. We have observed that the primary hydrolysis/condensation reaction is complete at low water concentration. At times shorter that the induction time, the reaction results in creation of nanosize nuclei. The most important finding is that the total nuclei mass, which appears almost instantaneously during the stage of mixing, is conserved throughout the process: the particles grow by nucleus agglomeration. The hydrolysis ratio H ≤ 1 is sufficient for nucleus creation; H > 1 is needed for particle growth. The initial reagent mixing seems to be the key stage of the process.
Selective α‐Deuteration of Cinnamonitriles using D2O as Deuterium Source (2021)

Abstract The selective α‐deuteration of α,β‐unsaturated nitriles using the strong base t BuOK or a metal‐ligand cooperative Ru pincer catalyst is described. With D 2 O as deuterium source and glyme as solvent at 70 °C, t BuOK is an efficient catalyst for deuteration at the α‐C( sp 2 ) position of cinnamonitriles, providing access to a broad range of deuterated derivatives in good to excellent yields and with very high levels of deuterium incorporation. While the t BuOK‐catalysed protocol does not tolerate base‐sensitive functional groups, cinnamonitrile derivatives containing a benzylic bromide or ester moiety were deuterated in excellent yields using Milstein's ruthenium PNN pincer catalyst. Moreover, the activity for H/D exchange of the metal‐ligand cooperative Ru catalyst is found to be significantly higher than that of t BuOK, allowing reactions to proceed well even at room temperature. A mechanistic proposal is put forward that involves deprotonation of the cinnamonitrile α‐CH position when using t BuOK as catalyst, whereas H/D exchange catalysis with the Ru PNN pincer likely proceeds via (reversible) oxa‐Michael addition of D 2 O. magnified image
Variational Inference for Category Recommendation in E-Commerce platforms (2021)

Category recommendation for users on an e-Commerce platform is an important task as it dictates the flow of traffic through the website. It is therefore important to surface precise and diverse category recommendations to aid the users' journey through the platform and to help them discover new groups of items. An often understated part in category recommendation is users' proclivity to repeat purchases. The structure of this temporal behavior can be harvested for better category recommendations and in this work, we attempt to harness this through variational inference. Further, to enhance the variational inference based optimization, we initialize the optimizer at better starting points through the well known Metapath2Vec algorithm. We demonstrate our results on two real-world datasets and show that our model outperforms standard baseline methods.
Conjugated Polyelectrolytes as Efficient Hole Transport Layers in Perovskite Light-Emitting Diodes (2018)

Perovskite-based optoelectronic devices have been rapidly developing in the past 5 years. Since the first report, the external quantum efficiency (EQE) of perovskite light-emitting diodes (PeLEDs) has increased rapidly through the control of morphology and structure from 0.1% to more than 11%. Here, we report the use of various conjugated polyelectrolytes (CPEs) as the hole injection layer in PeLEDs. In particular, we find that poly[2,6-(4,4-bis-potassium butanylsulfonate)-4 H-cyclopenta-[2,1- b;3,4- b']-dithiophene)] (PCPDT-K) transfers holes effectively, blocks electron transport from the perovskite to the underlying ITO layer, and reduces luminescence quenching at the perovskite/PCPDT-K interface. Our optimized PeLEDs with PCPDT-K show enhanced EQE by a factor of approximately 4 compared to control PeLEDs with PEDOT:PSS, reaching EQE values of 5.66%, and exhibit improved device stability.
ChemInform Abstract: A Convenient Synthesis of (2S)‐2‐Amino‐3‐phenylpropanol. (1992)

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.
The posttranslational modification cascade to the thiopeptide berninamycin generates linear forms and altered macrocyclic scaffolds (2013)

Berninamycin is a member of the pyridine-containing thiopeptide class of antibiotics that undergoes massive posttranslational modifications from ribosomally generated preproteins. Berninamycin has a 2-oxazolyl-3-thiazolyl-pyridine core embedded in a 35-atom macrocycle rather than typical trithiazolylpyridine cores embedded in 26-atom and 29-atom peptide macrocycles. We describe the cloning of an 11-gene berninamycin cluster from Streptomyces bernensis UC 5144, its heterologous expression in Streptomyces lividans TK24 and Streptomyces venezuelae ATCC 10712, and detection of variant and incompletely processed scaffolds. Posttranslational maturation in S. lividans of both the wild-type berninamycin prepeptide (BerA) and also a T3A mutant generates macrocyclic compounds as well as linear variants, which have failed to form the pyridine and the macrocycle. Expression of the gene cluster in S. venezuelae generates a variant of the 35-atom skeleton of berninamycin, containing a methyloxazoline in the place of a methyloxazole within the macrocyclic framework.
Transition-Metal-Free Homopolymerization of Pyrrolo[2,3-d:5,4-d′]bisthiazoles via Nucleophilic Aromatic Substitution (2021)

Novel methods to synthesize electron-deficient π-conjugated polymers utilizing transition-metal-free coupling reactions for the use of nonfunctionalized monomers are attractive due to their improved atom economy and environmental prospective. Herein we describe the use of <sup><i>i</i></sup>PrMgCl·LiCl complex to afford thiazole-based conjugated polymers in the absence of any transition metal catalyst, that enables access to well-defined polymers with good molecular weights. The mechanistically distinct polymerizations proceeded via nucleophilic aromatic substitution (S<sub>N</sub>Ar) reaction supported by density functional theory (DFT) calculations. This work demonstrates the first example of fully conjugated thiazole-based aromatic homopolymers without the need of any transition metal catalyst.
Investigation of a Step-Like Output Energy Decrease Observed in an ArF Excimer Laser for Microlithography (2006)

A step-like decrease of the output energy of an ArF excimer laser for microlithography has been observed during high-repetition rate and high-power operation. The reason for the step-like energy decrease was traced to oxygen by adding 50 ppm of various gas impurities to the laser gas. It is supposed that the energy decrease is caused by laser light absorption due to the oxygen or to some kinds of oxygen compounds because no change was observed in ArF and XeF emission intensities which were monitored as measures of excimer formation, Xe content, and discharge states.
On MIMO Channel Capacity with Output Quantization Constraints (2018)

The capacity of a Multiple-Input Multiple-Output (MIMO) channel in which the antenna outputs are processed by an analog linear combining network and quantized by a set of threshold quantizers is studied. The linear combining weights and quantization thresholds are selected from a set of possible configurations as a function of the channel matrix. The possible configurations of the combining network model specific analog receiver architectures, such as single antenna selection, sign quantization of the antenna outputs or linear processing of the outputs. An interesting connection between the capacity of this channel and a constrained sphere packing problem in which unit spheres are packed in a hyperplane arrangement is shown. From a high-level perspective, this follows from the fact that each threshold quantizer can be viewed as a hyperplane partitioning the transmitter signal space. Accordingly, the output of the set of quantizers corresponds to the possible regions induced by the hyperplane arrangement corresponding to the channel realization and receiver configuration. This connection provides a number of important insights into the design of quantization architectures for MIMO receivers; for instance, it shows that for a given number of quantizers, choosing configurations which induce a larger number of partitions can lead to higher rates <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">1</sup> .
Half‐Metallic Full‐Heusler and Half‐Heusler Compounds with Perpendicular Magnetic Anisotropy (2023)

Herein, a mechanism is proposed as to how thin films formed from a Heusler compound can simultaneously have both perpendicular magnetic anisotropy (PMA) and be half‐metallic. It is proposed that a thin film formed from a half‐metallic full‐Heusler or half‐Heusler compound that is cubic in the bulk can undergo a tetragonal distortion by adopting the lattice constant of the underlayer material during the thin film deposition process. The value of this distortion can be tuned by using underlayer materials with different in‐plane lattice constants. The distortion can thereby be optimized so that it is large enough to give rise to sufficient PMA, while, simultaneously, small enough to retain the half‐metallic properties (and, therefore, high tunneling magnetoresistance properties) of the Heusler compound. Density functional theory (DFT) calculations that are carried out for 90 full‐Heuslers and 147 half‐Heuslers that have been identified in the literature as half‐metals show that of these, 14 full‐Heusler and 59 half‐Heusler compounds display both half‐metallicity and PMA for optimal tetragonal distortions.
Sensitive quantitative predictions of peptide‐MHC binding by a ‘Query by Committee’ artificial neural network approach (2003)

We have generated Artificial Neural Networks (ANN) capable of performing sensitive, quantitative predictions of peptide binding to the MHC class I molecule, HLA-A*0204. We have shown that such quantitative ANN are superior to conventional classification ANN, that have been trained to predict binding vs non-binding peptides. Furthermore, quantitative ANN allowed a straightforward application of a 'Query by Committee' (QBC) principle whereby particularly information-rich peptides could be identified and subsequently tested experimentally. Iterative training based on QBC-selected peptides considerably increased the sensitivity without compromising the efficiency of the prediction. This suggests a general, rational and unbiased approach to the development of high quality predictions of epitopes restricted to this and other HLA molecules. Due to their quantitative nature, such predictions will cover a wide range of MHC-binding affinities of immunological interest, and they can be readily integrated with predictions of other events involved in generating immunogenic epitopes. These predictions have the capacity to perform rapid proteome-wide searches for epitopes. Finally, it is an example of an iterative feedback loop whereby advanced, computational bioinformatics optimize experimental strategy, and vice versa.
UWB MM-Wave antenna array with quasi omnidirectional beams for 5G handheld devices (2016)

An ultra-wideband (UWB) millimeter-wave (mm-Wave) dipole antenna array for fifth generation (5G) communications is presented in this paper. The proposed antenna is working in the frequency range of 23-33 GHz (10 GHz bandwidth with more than 35% FBW). Ten compact UWB dipole antenna elements designed on a Rogers RT5880 substrate have been deployed along the edge region of the cell phone PCB. The feature of compact design with UWB characteristic makes them well-suited for 5G cellular devices such as laptops, tablets, mobile phones etc. Input impedance and radiation properties of the proposed antenna array have been discussed. The antenna features quasi-omnidirectional radiation beams at different scanning angles.
[Repeated requests for pregnancy termination. Function of pregnancy and identity problems in repeated terminations]. (1984)

Ambivalence in the desire for a child is obviously the dominant factor in repeated requests for pregnancy terminatio. In the normal case the mother regards the child as existing in and of himself, but in cases of neurosis the child is viewed as primarily the symptoms of a problem of the motheror the couple. In 12.28% of cases with no previous abortion, the child was regarded in a normal fashion, but in 41.73% with previous abortions, the child was viewed in a neurotic way. The proportion of women making repeat requests for abortion was 75% among those for whom the child represented a phallic reclamation or protest against castration, 44% of those for whom it was a reparation, 43% of those for whom it was an expiation, and 33% of those for whom it was a narcissistic object. Among those for whom the baby was viewed as a reparation or cure, the request was a repeat for 50%of those for whom the reparation was of poor relationships with existing children, 44% for poor relationships of the couple, 42% for a bereavement, 37% for a reliving of the woman's own childhood, and 36% for loneliness. The subconscious plays a major role in all of the cases in which the childrepresents something other than himself, and the woman may not be aware of her search for identity. The problem of pregnancy terminations and their repetition appears to represent the resurgence of moments in the stages of development that had appeared to have passed, and especially a replayingof the oedipal conflict. To belive that a woman's desire for a child is totally controllable or programmable indicates a poor understanding of feminine psychic mechanisms.
Overcoming the Rapid Metabolism of the Promising Anticancer Natural Product Rooperol (2019)

Rooperol [1,5‐bis(3′,4′‐dihydroxyphenyl)pent‐1‐en‐4‐yne] is a naturally occurring bis‐catechol that was originally isolated from the African Potato ( Hypoxis hemerocallidea ). Rooperol shows promising anti‐cancer activity in vitro , but it is rapidly and completely metabolized to inactive phase‐II metabolites in vivo . To address this problem, analogues of rooperol have been designed in which the linker separating the catechol groups is varied or in which some or all of the catechol groups are replaced with more metabolically stable isosteres in order to explore the role of the bis‐catechol groups and the effect of catechol replacement on anticancer activity. Here we report the synthesis and cancer cell cytotoxicity of these rooperol analogs. Based upon the activity of these compounds in a cell growth inhibition assay with HeLa cells, we conclude that the bis‐catechol nature of rooperol is not an essential feature for its cytotoxicity and that an analog of rooperol that is predicted to be more resistant to metabolism yet which retains much of the anti‐cancer activity of the natural product can be identified. Support or Funding Information William and Ella Owens Medical Research Foundation and Texas State University This abstract is from the Experimental Biology 2019 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .
Localizing intracavitary brachytherapy applicators from cone‐beam CT x‐ray projections via a novel iterative forward projection matching algorithm (2011)

This work describes a novel, accurate, fast, and completely automatic method to localize radio-opaque applicators of arbitrary shape from measured 2D x-ray projections. The results demonstrate approximately 1 mm accuracy while compared against the measured applicator projections. No lateral film is needed. By localizing the applicator internal structure as well as radioactive sources, the effect of intra-applicator and interapplicator attenuation can be included in the resultant dose calculations. Further validation tests using clinically acquired tandem and colpostats images will be performed for the accurate and robust applicator/sources localization in ICB patients.
Polysaccharide Gels Based on Chitosan and Modified Starch: Structural Characterization and Linear Viscoelastic Behavior (2010)

We investigated the properties of polymeric systems formed by cross-linking chitosan with modified starch (oxidized maltodextrin). Such a macromolecular cross-linker proved to be efficient to react with chitosan with potentially minimal toxicity. The structural characterization of modified starch alone and of the two-polysaccharide reactive systems was performed using (1)H NMR and FTIR. The rheological behaviors of all systems, from solutions to gels, were also characterized. Depending on experimental parameters, such as chitosan concentration, cross-linking pH, degree of oxidation of starch, and molar ratio of reactive groups, different kinds of systems ranging from pure viscoelastic solutions to stiff hydrogels were formed. These versatile systems could be used in biomedical applications because of the good biocompatibility of their constituents.
The SCENIC Project: Space-Time Audio Processing for Environment-Aware Acoustic Sensingand Rendering (2011)

This Convention paper was selected based on a submitted abstract and 750-word precis that have been peer reviewed by at least two qualified anonymous reviewers. The complete manuscript was not peer reviewed. This convention paper has been reproduced from the author&amp;apos;s advance manuscript without editing, corrections, or consideration by the Review Board. The AES takes no responsibility for the contents. Additional papers may be obtained by sending request and remittance to Audio
Commercial and custom 160x120, 256x1, and 512x3 pixel bolometric FPAs (2002)

INO has been active in microbolometer and FPA technology development since the early 1990s. Microbolometer detectors based on VO<SUB>2</SUB> films with TCR above 3% are typically fabricated. VO<SUB></SUB>x films with TCR above 2% have been developed for applications where FPA temperature is not stabilized. INO is continuing its development of high fill factor pixels with sizes down to 25 micrometers and new macro- and micro-packaging technology. All fabrication is done on six inch wafers in INOs newly expanded clean room facility. INO currently offers as standard products 256x1 and 160x120 pixel FPAs with 52 micrometers pixel pitch. Both arrays have simple, robust, and versatile CMOS readout integrated circuits (ROICs) that may be accessed in self-scanning or random access mode, and reference detectors for on-chip coarse offset and temperature drift compensation. Single frame NETDs (f/1, 300 K, 8-12 micrometers ) are on the order of 150 - 250 mK and may be reduced by frame averaging. Prototyping boards have been developed for both arrays, and the 160x120 FPA has been integrated in a number of thermal cameras and instruments. In collaboration with its clients, INO has developed several FPAs for specific space and terrestrial applications. Custom ROICs fabricated in several different CMOS processes from multiple foundries have been used. A 512x3 pixel microbolometer FPA with 39 micrometers pitch is being developed for the European Space Agency. The array is designed for multi-spectral pushbroom imaging applications and features a novel ROIC with very low 1/f noise, pixel by pixel offset and drift compensation, variable integration time, and digital output. Its single frame NETD (f/1, 300 K, 8-12 micrometers ) is nominally 80 mK.
Composability of Cloud Accelerators in Virtual World Simulations (2023)

Immersive and interactive experiences offered by virtual world simulations (VWS) are becoming increasingly indispensable in today's digital era, particularly in domains such as gaming, engineering, and education. Cloud computing provides a compelling solution for VWS, with its scalability, costeffectiveness, and accessibility, combined with efficient processing capabilities of hardware accelerators such as FPGAs and GPUs. This paper presents APEIRON, an in-progress distributed library built on the Ray framework, that aims to facilitate the effective composition of hardware accelerators on public clouds and emerging disaggregated platforms. Additionally, this work introduces a novel composability metric, analyzing the intricate relationship between resource utilization and workload performance. This study focuses on theoretical composability analyses, laying groundwork for optimized utilization of hardware resources to enhance efficiency, thereby potentially reducing operational costs.
Safer, Silencing-Resistant Lentiviral Vectors: Optimization of the Ubiquitous Chromatin-Opening Element through Elimination of Aberrant Splicing (2012)

Gammaretroviral and lentiviral vectors have been used successfully in several clinical gene therapy trials, although powerful enhancer elements have caused insertional mutagenesis and clonal dysregulation. Self-inactivating vectors with internal heterologous regulatory elements have been developed as potentially safer and more effective alternatives. Lentiviral vectors containing a ubiquitous chromatin opening element from the human HNRPA2B1-CBX3 locus (A2UCOE), which allows position-independent, long-term transgene expression, are particularly promising. In a recently described assay, aberrantly spliced mRNA transcripts initiated in the vector A2UCOE sequence were found to lead to upregulation of growth hormone receptor gene (Ghr) expression in transduced murine Bcl-15 cells. Aberrant hybrid mRNA species formed between A2UCOE and a number of other cellular genes were also detected in transduced human PLB-985 myelomonocytic cells. Modification of the A2UCOE by mutation or deletion of recognized and potential cryptic splice donor sites was able to abrogate these splicing events and hybrid mRNA formation in Bcl-15 cells. This modification did not compromise A2UCOE regulatory activity in terms of resistance to CpG methylation and gene silencing in murine P19 embryonic carcinoma cells. These refined A2UCOE regulatory elements are likely to improve intrinsic biosafety and may be particularly useful for a number of clinical applications where robust gene expression is desirable.
<title>Reflection shearography for nondestructive evaluation</title> (2004)

Conventional nondestructive evaluation (NDE) techniques include visual inspection, eddy current scanning, ultrasonics, and fluorescent dye penetration. These techniques are limited to local evaluation, often miss small buried defects, and are useful only on polished surfaces. Advanced NDE techniques include laser ultrasonics, holographic interferometry, structural integrity monitoring, shearography, and thermography. A variation of shearography, employing reflective shearographic interferometry, has been developed. This new shearographic interferometer is discussed, together with models to optimize its performance and experiments demonstrating its use in NDE.
Articulated soft objects for video-based body modeling (2002)

We develop a framework for 3-D shape and motion recovery of articulated deformable objects. We propose a formalism that incorporates the use of implicit surfaces into earlier robotics approaches that were designed to handle articulated structures. We demonstrate its effectiveness for human body modeling from video sequences. Our method is both robust and generic. It could easily be applied to other shape and motion recovery problems.