gebhart/patrepeval huggingface dataset:
Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor (2015)

With the hope of discovering effective analgesics with fewer side effects, attention has recently shifted to allosteric modulators of the opioid receptors. In the past two years, the first chemotypes of positive or silent allosteric modulators (PAMs or SAMs, respectively) of μ- and δ-opioid receptor types have been reported in the literature. During a structure-guided lead optimization campaign with μ-PAMs BMS-986121 and BMS-986122 as starting compounds, we discovered a new chemotype that was confirmed to display μ-PAM or μ-SAM activity depending on the specific substitutions as assessed by endomorphin-1-stimulated β-arrestin2 recruitment assays in Chinese Hamster Ovary (CHO)-μ PathHunter cells. The most active μ-PAM of this series was analyzed further in competition binding and G-protein activation assays to understand its effects on ligand binding and to investigate the nature of its probe dependence.
Study of Biopolymers and Paraffin as Potential Controlled-Release Carriers for Insect Pheromones (1998)

Starch, whey, and soy proteins and paraffin wax were tested as potential controlled-release carriers for insect sex pheromones used for mating disruption of orchard pests. Geranyl propionate was used as a model pheromone in preliminary experiments. Geranyl propionate and Oriental fruit moth pheromone release-rates from various carrier materials were measured in laboratory experiments by extraction of residual pheromone from biopolymer films and by trapping pheromone released from carrier materials into an air stream using Super Q traps. The carrier materials could be applied to tree bark or foliage at ambient temperature as aqueous emulsions. After drying, the film or coating would release the entrapped pheromone, then slowly erode from the bark, and degrade in soil. Paraffin performed better than starch or protein as a controlled-release carrier for the compounds studied because of better initial entrapment and a more constant release-rate. Keywords: Pheromone; biopolymers; paraffin; controlled-release
Design, fabrication, and characterization of high-attenuation fibers with cladding mode suppression (2002)

High-attenuation fibers were developed with a special design to significantly reduce modal interference that occurs in short fiber lengths. A solution doping technique was used to introduce the transition elements into the core. The same degree of attentuation could be achieved at both 1310 and 1550 nm.
Phospholipid-Stabilized Microbubble Foam for Injectable Oxygen Delivery (2010)

A detailed study is presented on the synthesis and characterization of purely oxygen-filled microbubbles (OMBs) stabilized by phospholipids. Microbubbles with a diameter of less than 10 μm were generated and concentrated to >50 vol % in saline. The lipid acyl chain length had little effect on the size distribution but profoundly affected the foam stability. For example, OMBs stabilized by dipalmitoyl phosphatidylcholine (DPPC) degraded over 3 weeks, but OMBs stabilized with distearoyl phosphatidylcholine (DSPC) retained over half of their initially encapsulated gas. Interestingly, the polydisperse size distribution remained nearly constant as the foam slowly broke down. Injection into an undersaturated solution led to the immediate release of the oxygen gas core. Injectable gas delivery by OMBs may find use in a variety of medical and industrial fields.
Ventral-Dorsal Neural Networks: Object Detection via Selective Attention (2020)

Deep Convolutional Neural Networks (CNNs) have been repeatedly proven to perform well on image classification tasks. Object detection methods, however, are still in need of significant improvements. In this paper, we propose a new framework called Ventral-Dorsal Networks (VDNets) which is inspired by the structure of the human visual system. Roughly, the visual input signal is analyzed along two separate neural streams, one in the temporal lobe and the other in the parietal lobe. The coarse functional distinction between these streams is between object recognition -- the "what" of the signal -- and extracting location related information -- the "where" of the signal. The ventral pathway from primary visual cortex, entering the temporal lobe, is dominated by "what" information, while the dorsal pathway, into the parietal lobe, is dominated by "where" information. Inspired by this structure, we propose the integration of a "Ventral Network" and a "Dorsal Network", which are complementary. Information about object identity can guide localization, and location information can guide attention to relevant image regions, improving object recognition. This new dual network framework sharpens the focus of object detection. Our experimental results reveal that the proposed method outperforms state-of-the-art object detection approaches on PASCAL VOC 2007 by 8% (mAP) and PASCAL VOC 2012 by 3% (mAP). Moreover, a comparison of techniques on Yearbook images displays substantial qualitative and quantitative benefits of VDNet.
Gold(III) Complexes Containing N‐Heterocyclic Carbene Ligands: Thiol “Switch‐on” Fluorescent Probes and Anti‐Cancer Agents (2013)

Nichtleuchtende [AuIII(N N N)(NHC)]+-Komplexe wie 1 werden in Zellen durch Glutathion zu AuI-NHC-Komplexen mit vielversprechenden Antikrebseigenschaften reduziert, wobei ein stark fluoreszierender Ligand freigesetzt wird. Das hoch effiziente Einschalten dieser Fluoreszenz macht die AuIII-Komplexe zu ausgezeichneten Sonden für den Thiolnachweis in Zellen. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Cerebral synthesis and release of kynurenic acid: an endogenous antagonist of excitatory amino acid receptors (1990)

Excitatory amino acid (EAA)-mediated synaptic transmission is the most prevalent excitatory system within the mammalian brain. Activation of EAA receptors has been postulated to contribute to neuronal cell death in stroke, epilepsy, hypoglycemia, and Huntington's disease. Kynurenic acid is an endogenous substance that inhibits EAA receptors and may therefore influence important physiologic and pathologic processes. The release of intracerebrally synthesized kynurenic acid into the extracellular fluid (ECF), where it may act at EAA receptors, has not been established in vivo. We studied the synthesis and release of kynurenic acid in the rat striatum using intracerebral microdialysis coupled with high performance liquid chromatography and fluorescence detection. The basal ECF concentration of kynurenic acid in the rat corpus striatum was 17.1 +/- 1.1 nM. Peripheral administration of the immediate biosynthetic precursor of kynurenic acid, L-kynurenine, resulted in marked dose-dependent increases in striatal ECF concentrations of kynurenic acid, peaking at 2-2.5 hr. The highest dose of L-kynurenine (100 mg/kg), administered peripherally, resulted in a 108-fold increase in plasma kynurenic acid levels and a 37-fold increase in cerebral ECF levels. Peripheral administration of kynurenic acid, at a dose that caused plasma levels to increase 430-fold, resulted in only 4-fold increases in striatal ECF concentrations. The precursor responsiveness of striatal ECF kynurenic acid to peripherally infused L-kynurenine was blocked by the central application (via the dialysis probe) of aminooxyacetic acid, an inhibitor of the immediate synthetic enzyme for kynurenic acid, kynurenine aminotransferase. Administration of L-tryptophan was less effective than L-kynurenine in increasing ECF kynurenic acid concentrations and did so at a considerably later time interval (6 hr).(ABSTRACT TRUNCATED AT 250 WORDS)
Design, Fabrication, and Function of Silk‐Based Nanomaterials (2018)

Animal silks are built from pure protein components and their mechanical performance, such as strength and toughness, often exceed most engineered materials. The secret to this success is their unique nanoarchitectures that are formed through the hierarchical self-assembly of silk proteins. This natural material fabrication process in sharp contrast to the production of artificial silk materials, which usually are directly constructed as bulk structures from silk fibroin (SF) molecular. In recent years, with the aim of understanding and building better silk materials, a variety of fabrication strategies have been designed to control nanostructures of silks or to create functional materials from silk nanoscale building blocks. These emerging fabrication strategies offer an opportunity to tailor the structure of SF at the nanoscale and provide a promising route to produce structurally and functionally optimized silk nanomaterials. Here, we review the critical roles of silk nanoarchitectures on property and function of natural silk fibers, outline the strategies of utilization of these silk nanobuilding blocks, and we provide a critical summary of state of the art in the field to create silk nanoarchitectures and to generate silk-based nanocomponents. Further, such insights suggest templates to consider for other materials systems.
FLEXBAR: A crossbar switching fabric with improved performance and utilization (2003)

Crossbar based switching fabrics form a critical component of many modern high-performance electronic systems, including network routers and switches, multi-processor computing systems, and high-end application-specific integrated circuits (ASICs). This paper describes a simple, yet effective, hardware modification to enhance the performance and utilization of a generic crossbar. The proposed structure, called FLEXBAR, is based on the addition of lightweight, configurable, input and output hardware layers that exploit unutilized switching paths to provide additional data transfer capability for highly loaded paths. FLEXBAR has been implemented and evaluated as a network switch fabric. Extensive system simulations under various traffic scenarios indicate that latency reduces by up to 70%, and peak throughput of highly loaded ports can increase by over 100%. A full-custom design of FLEXBAR in 0.35 micron technology requires marginal area and performance overheads (4.47% and 8.23%, respectively, for a typical configuration) compared to a conventional crossbar.
A novel hybrid beamforming transmission scheme for common channels and signals (2015)

Massive MIMO is envisioned as one of the key technologies for the 5th generation (5G) wireless communication systems. Hybrid beamforming is a promising and feasible solution to massive MIMO due to the achievable balance between performance and implementation cost, especially for the high frequency band. Different from user data channels and signals, common channels and signals cannot benefit from the user-specific beamforming gain, therefore, will suffer from a coverage issue due to the large propagation loss in the high frequency band. In order to provide an enhanced coverage for common channels and signals, in this paper we propose a novel hybrid beamforming transmission scheme, in which multiple analog beams are transmitted simultaneously via analog beamforming at the radio frequency (RF) front-end and cyclic shift (CS)-based beamforming is utilized in the digital back-end. With a proper CS setting, the received channel impulse responses (CIRs) from different beams can always be combined orthogonally. Therefore, a more stable and robust coverage of common channels and signals can be guaranteed. Both theoretical analysis and numerical evaluation justify its effectiveness.
Cancer gene detection using surface‐enhanced Raman scattering (SERS) (2002)

Abstract We describe the development of a surface‐enhanced Raman scattering (SERS) method for cancer gene detection. The technology uses DNA gene probes based on SERS labels for gene detection. The detection method uses nanostructured metallic substrates as SERS‐active platforms. The surface‐enhanced Raman gene (SERGen) probes can be used to detect DNA targets via hybridization to DNA sequences complementary to these probes. The probes do not require the use of radioactive labels and have great potential to provide both sensitivity and selectivity. The usefulness of the SERGen approach and its applications in cancer gene diagnostics (e.g. BRCA1 breast cancer gene and BAX gene) is discussed. Copyright © 2002 John Wiley & Sons, Ltd.
Agonist derived molecular probes for A<sub>2</sub> adenosine receptors (1989)

The adenosine agonist 2-(4-(2-carboxyethyl)phenylethylamino)-5'-N- ethylcarboxamidoadenos ine (CGS21680) was recently reported to be selective for the A2 adenosine receptor subtype, which mediates its hypotensive action. To investigate structure/activity relationships at a distal site, CGS21680 was derivatized using a functionalized congener approach. The carboxylic group of CGS21680 has been esterified to form a methyl ester, which was then treated with ethylenediamine to produce an amine congener. The amine congener was an intermediate for acylation reactions, in which the reactive acyl species contained a reported group, or the precursor for such. For radioiodination, derivatives of p-hydroxyphenylpropionic, 2-thiophenylacetic, and p-aminophenylacetic acids were prepared. The latter derivative (PAPA-APEC) was iodinated electrophilically using [125I]iodide resulting in a radioligand which was used for studies of competition of binding to striatal A2 adenosine receptors in bovine brain. A biotin conjugate and an aryl sulfonate were at least 350-fold selective for A2 receptors. For spectroscopic detection, a derivative of the stable free radical tetramethyl-1-piperidinyloxy (TEMPO) was prepared. For irreversible inhibition of receptors, meta- and para-phenylenediisothiocyanate groups were incorporated in the analogs. We have demonstrated that binding at A2 receptors is relatively insensitive to distal structural changes at the 2-position, and we report high affinity molecular probes for receptor characterization by radioactive, spectroscopic and affinity labelling methodology.
Analysis of a Yield Management Model for On Demand Computing Centers page impaire. (2004)

The concept of yield management for IT infrastructures, and in particular for On Demand IT utilities was recently introduced in . IT On Demand is a business model touted recently by IBM and other large IT companies as the future of computing. In , it was demonstrated that this paradigm is appropriate for, and can benefit greatly from, use of a convenient yield management approach, and an optimization model and theoretical justification of it were presented. The present paper provides a detailed analysis of that model, both in simplified cases where an analytical analysis is possible, and numerically on larger problem instances, and confirms the significant revenue benefit that can accrue through use of yield management in the IT On Demand context.
Optimization and representation techniques for multimedia processing software (2005)

Flavor, Formal Language for Audio-Visual Object Representation, has been introduced to simplify and speed up development of software that processes coded multimedia or any bitstream-oriented data. It is a language for describing bitstream syntax, and from the description, its translator can automatically generate C++ or Java code that can be used for bitstream reading, writing, and tracing. 
A Flavor description only specifies how the data is laid out on the bitstream, and as a result of this abstraction, efficient algorithms can be easily applied for automatic parsing and generation of bitstreams. The crux of the multimedia bitstream parsing and generation deals with compression, where the most widely used statistical coding methods are variable-length coding, e.g., Huffman coding, and binary arithmetic coding. “Customizable” methods for efficiently processing such coded data have been introduced, and the Flavor translator has been enhanced to include them in the generated code. Additionally, algorithms that automatically customize the methods have been added to the translator so that the methods work efficiently for each given set of codewords or each given binary arithmetic coder description. We show that our automatically generated methods are faster than or comparable to other known, manually designed methods. 
As a complementary solution to Flavor and its translator, we present XFlavor, a framework for providing XML representation of multimedia data. XFlavor can be used to convert multimedia data back and forth between binary and XML representations. Compared to bitstreams, XML documents are easier to access and manipulate, and consequently, the development of multimedia processing software is greatly facilitated, as one generic XML parser can be used to read and write different types of data in XML form. On the other hand, XML representation inflates the original binary data, and for storage or transmission, a more compact form is required. For this, the original bitstream syntax is used to convert XML documents into much smaller binary data. We show that such conversion yields better compression than any one of the currently known XML compression tools.
Consumer video structuring by probabilistic merging of video segments (2001)

Accessing, organizing, and manipulating home videos constitutes a technical challenge due to their unrestricted content and the lack of storyline. In this paper, we present a methodology for structuring consumer video, based on the development of statistical models of similarity and adjacency between video segments in a probabilistic formulation. Learned Gaussian mixture models of inter-segment visual similarity, temporal adjacency, and segment duration are used to represent the classconditional densities of observed features. Such models are then used in a sequential merging algorithm consisting of a binary Bayes classifier, where the merging order is determined by a variation of Highest Confidence First (HCF), and the merging criterion is Maximum a Posteriori (MAP). The merging algorithm can be efficiently implemented and does not need any empirical parameter determination. Finally, the representation of the merging sequence by a tree provides for hierarchical, nonlinear access to the video content. Results on an eight-hour home video database illustrate the validity of our approach.
System for detecting substructure microfracture and methods therefor (1980)

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Robustness of differential-phase-shift quantum key distribution against photon-number-splitting attack (2005)

A photon-number-splitting (PNS) attack against differential-phase-shift (DPS) quantum key distribution (QKD) is described. In the conventional 1984 Bennett-Brassard protocol, using weak laser light, the PNS attacks, which involve installing a lossless transmission line and blocking pulses from which extra photons cannot be picked up, impose a limit on the transmission distance. In contrast, use of a coherent pulse train in DPS QKD prevents the PNS attack and removes the distance limitation imposed by it. We carried out a DPS QKD experiment that simulated the situation where some pulses are blocked. The result showed that extra bit errors are induced in an eavesdropped condition, indicating the robustness of DPS QKD against PNS attacks.
Identification of Noncompetitive Inhibitors of Cytosolic 5′-Nucleotidase II Using a Fragment-Based Approach (2015)

We used a combined approach based on fragment-based drug design (FBDD) and in silico methods to design potential inhibitors of the cytosolic 5'-nucleotidase II (cN-II), which has been recognized as an important therapeutic target in hematological cancers. Two subgroups of small compounds (including adenine and biaryl moieties) were identified as cN-II binders and a fragment growing strategy guided by molecular docking was considered. Five compounds induced a strong inhibition of the 5'-nucleotidase activity in vitro, and the most potent ones were characterized as noncompetitive inhibitors. Biological evaluation in cancer cell lines showed synergic effect with selected anticancer drugs. Structural studies using X-ray crystallography lead to the identification of new binding sites for two derivatives and of a new crystal form showing important domain swapping. Altogether, the strategy developed herein allowed identifying new original noncompetitive inhibitors against cN-II that act in a synergistic manner with well-known antitumoral agents.
Inter-frame prediction using motion hints (2013)

We recently proposed a novel approach that employs motion hints for inter-frame prediction. Motion hints are a loose and global description of motion communicated as metadata; they specify motion but they leave it to the client/decoder to find the exact locations where motion is applicable. This work proposes a multi-scale approach for identifying these exact locations, which are then used with the available reference frames to generate an inter-frame prediction. The proposed approach is localized and robust to noise and illumination changes. The scheme of this work is applicable to close-loop prediction, but it is more useful in open-loop prediction scenarios, such as using prediction in conjunction with remote browsing of surveillance footage, communicated by a JPIP server. We show that, with reasonably accurate motion, it is possible to produce good inter-frame predictions visually and in terms of PSNR.
Polymorphic control by heterogeneous nucleation - A new method for selecting crystalline substrates (2011)

A new method for selecting crystalline substrates to control polymorphism by heterogeneous nucleation has been applied to the crystallization of acetaminophen.
ChemInform Abstract: ALTERNATE SYNTHESIS OF ELECTROLYTE MATRIX FOR MOLTEN CARBONATE FUEL CELLS (1980)

Abstract Es wird eine alternative schnelle Herstellungsmethode für die LiAlO 2 ‐Matrix in Carbonat‐ ′ schmelze‐Brennstoffzellen entwickelt und die entsprechenden Reaktionsbedingungen und Arbeitsgänge, die zur Erzeugung der gewünschten Materialqualität erforderlich sind, definiert.
GPCRomics: GPCR Expression in Cancer Cells and Tumors Identifies New, Potential Biomarkers and Therapeutic Targets (2018)

G protein-coupled receptors (GPCRs), the largest family of targets for approved drugs, are rarely targeted for cancer treatment, except for certain endocrine and hormone-responsive tumors. Limited knowledge regarding GPCR expression in cancer cells likely has contributed to this lack of use of GPCR-targeted drugs as cancer therapeutics. We thus undertook GPCRomic studies to define the expression of endoGPCRs (which respond to endogenous molecules such as hormones, neurotransmitters and metabolites) in multiple types of cancer cells. Using TaqMan qPCR arrays to quantify the mRNA expression of ∼340 such GPCRs, we found that human chronic lymphocytic leukemia (CLL) cells/stromal cells associated with CLL, breast cancer cell lines, colon cancer cell lines, pancreatic ductal adenocarcinoma (PDAC) cells, cancer associated fibroblasts (CAFs), and PDAC tumors express 50 to >100 GPCRs, including many orphan GPCRs (which lack known physiologic agonists). Limited prior data exist regarding the expression or function of most of the highly expressed GPCRs in these cancer cells and tumors. Independent results from public cancer gene expression databases confirm the expression of such GPCRs. We propose that highly expressed GPCRs in cancer cells (for example, GPRC5A in PDAC and colon cancer cells and GPR68 in PDAC CAFs) may contribute to the malignant phenotype, serve as biomarkers and/or may be novel therapeutic targets for the treatment of cancer.