gebhart/patrepeval huggingface dataset:
Discovery of G Protein-Biased Dopaminergics with a Pyrazolo[1,5-a]pyridine Substructure (2017)

1,4-Disubstituted aromatic piperazines are privileged structural motifs recognized by aminergic G protein-coupled receptors. Connection of a lipophilic moiety to the arylpiperazine core by an appropriate linker represents a promising concept to increase binding affinity and to fine-tune functional properties. In particular, incorporation of a pyrazolo[1,5-a]pyridine heterocyclic appendage led to a series of high-affinity dopamine receptor partial agonists. Comprehensive pharmacological characterization involving BRET biosensors, binding studies, electrophysiology, and complementation-based assays revealed compounds favoring activation of G proteins (preferably G<sub>o</sub>) over β-arrestin recruitment at dopamine D<sub>2</sub> receptors. The feasibility to design G protein-biased partial agonists as putative novel therapeutics was demonstrated for the representative 2-methoxyphenylpiperazine 16c, which unequivocally displayed antipsychotic activity in vivo. Moreover, combination of the pyrazolo[1,5-a]pyridine appendage with a 5-hydroxy-N-propyl-2-aminotetraline unit led to balanced or G protein-biased dopaminergic ligands depending on the stereochemistry of the headgroup, illustrating the complex structure-functional selectivity relationships at dopamine D<sub>2</sub> receptors.
Data from Gemcitabine sensitization by checkpoint kinase 1 inhibition correlates with inhibition of a Rad51 DNA damage response in pancreatic cancer cells (2023)

&lt;div&gt;Abstract&lt;p&gt;The protein kinase checkpoint kinase 1 (Chk1) has been implicated as a key regulator of cell cycle progression and DNA repair, and inhibitors of Chk1 (e.g., UCN-01 and EXEL-9844) potentiate the cytotoxic actions of chemotherapeutic drugs in tumor cells. We have examined the ability of PD-321852, a small-molecule Chk1 inhibitor, to potentiate gemcitabine-induced clonogenic death in a panel of pancreatic cancer cell lines and evaluated the relationship between endpoints associated with Chk1 inhibition and chemosensitization. Gemcitabine chemosensitization by minimally toxic concentrations of PD-321852 ranged from minimal (&lt;3-fold change in survival) in Panc1 cells to &gt;30-fold in MiaPaCa2 cells. PD-321852 inhibited Chk1 in all cell lines as evidenced by stabilization of Cdc25A; in combination with gemcitabine, a synergistic loss of Chk1 protein was observed in the more sensitized cell lines. Gemcitabine chemosensitization, however, did not correlate with abrogation of the S-M or G&lt;sub&gt;2&lt;/sub&gt;-M checkpoint; PD-321852 did not induce premature mitotic entry in gemcitabine-treated BxPC3 or M-Panc96 cells, which were sensitized to gemcitabine 6.2- and 4.6-fold, respectively. In the more sensitized cells lines, PD-321852 not only inhibited gemcitabine-induced Rad51 focus formation and the recovery from gemcitabine-induced replication stress, as evidenced by persistence of γ-H2AX, but also depleted these cells of Rad51 protein. Our data suggest the inhibition of this Chk1-mediated Rad51 response to gemcitabine-induced replication stress is an important factor in determining gemcitabine chemosensitization by Chk1 inhibition in pancreatic cancer cells. [Mol Cancer Ther 2009;8(1):45–54]&lt;/p&gt;&lt;/div&gt;
Integrated Environmental Control Concepts for Advanced Power Systems (2018)

Estimating the performance and cost of advanced technologies still under development is one of the most difficult tasks facing decision makers, policy analysts and research managers in the public and private sectors. The modeling framework described in this paper offers an approach to help minimize technological risks by explicitly considering uncertainties in the development of performance and cost estimates for integrated environmental control options applicable to modern coal-based power generation systems.
Colouring matters of the Aphidoidea. XLIII. Crystal structure of the aphid pigment 'Quinone A' (1977)

The crystal structure of the quinone A, C15H14O6, derived from protoaphin-fb, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.051 for 758 ?observed? reflections. Crystals are monoclinic, P21, a 5.239(4), b 16.551(9), c 7.920(8) Ǻ, β 108.92(6)°, Z 2. The structure determination confirms that proposed chemically, including the chirality of all asymmetric centres in the molecule.
Base‐Free β‐Boration of α,β‐Unsaturated Imines Catalysed by Cu2O with Concurrent Enhancement of Asymmetric Induction (2013)

Abstract The stereoselective synthesis of γ‐aminoalcohols from the catalytic asymmetric β‐boration of α,β‐unsaturated imine precursors has been streamlined with the use of Cu 2 O as the catalyst, readily accessible ( R )‐(+)‐2,2′‐bis(diphenylphosphino)‐1,1′‐binaphthyl as the chiral ligand and no additional base. The new simplicity of the catalytic system has the added value of in situ formation of the imines, which allows access to cyclic and acyclic β‐boryl imines. The reaction was followed by using in situ IR spectroscopy, which demonstrated the imine formation– β‐boration sequence and that the new catalytic system is superior to those employed for this reaction previously.
ChemInform Abstract: PRODUKTE BEI DER CYANAETHYLIERUNG VON 2‐OCTANON (1972)

Abstract 2‐Octanon (I) liefert mit festem KOH als Katalysator die Monocyanäthyl‐Verbindung (II) und das Bis‐cyanäthyl‐Derivat (III).
The transfusion problem: role of aberrant S‐nitrosylation (2011)

Protein S-nitrosylation (the binding of a nitric oxide [NO] group to a cysteine thiol) is a major mechanism through which the ubiquitous cellular influence of NO is exerted. Disruption of S-nitrosylation is associated with a wide range of pathophysiologic conditions. Hemoglobin (Hb) exemplifies both of these concepts. It is the prototypical S-nitrosylated protein in that it binds, activates, and deploys NO. Within red blood cells (RBCs), Hb is S-nitrosylated during the respiratory cycle and thereby conveys NO bioactivity that may be dispensed to regulate local blood flow in the physiologic response known as hypoxic vasodilation. Hb thus both delivers oxygen directly and delivers vasoactivity to potentially optimize tissue perfusion in concert with local metabolic demand. Accordingly, decreased levels of S-nitrosylated Hb (also known as S-nitrosohemoglobin) and/or impaired delivery of RBC-derived NO bioactivity have been observed in a variety of disease states that are characterized by tissue hypoxemia. It has been shown recently that storage of blood depletes S-nitrosylated Hb, accompanied by reduced ability of RBCs to induce vasodilation. This defect appears to account in significant part for the impaired ability of banked RBCs to deliver oxygen. Renitrosylation can correct this impairment and thus may offer a means to ameliorate the disruptions in tissue perfusion produced by transfusion.
Governing Globalizing Cities, Reshaping Urban Policies (2007)

What happened to urban policies? Rumours and evidence of retreat or even death of urban policies\nhave been documented in line with the restructuring of the nation state, globalisation processes and the neo\nliberal turn of many public policies: large public investments in social housing is for instance at low ebb\n(Harloe 1995). By contrast, urban policies seem to be everywhere, ―new‖ urban policies in particular,\nwhatever that means, seem to flourish even at every level. Against the view that globalisation is sweeping\neverything and determining the faith of cities, a set of literature attempts to show that state and cities have\nstill a major say in the structuring and organisation of cities, hence a role for politics and institutions in\nrelation to social groups, and economic relations constrained and articulated to different sets of pressures\n(Saraceno 2002; Marcuse &amp; Van Kempen 2002; Moulaert 2002; Jessop 2002; Le Galès 2002, Brenner\n2005, Harding, Forthcoming). Urbanization is reaching new high in the contemporary world with the rise\nof mega cities beyond 15 million inhabitants such as Calcutta, Los Angelès, Cairo, Tokyo, New York,\nBombay or Seoul. Beyond the modern metropolis, researchers try to make sense of those large urban areas:\npostmetropolis, global cities, global city-regions. Processes of globlisation, including transnational\nmigration, architecture, financial transactions, transport flux, or dissemination of technological innovations\ncontribute to the rise of mega cities in different part of the globe. The puzzle of contemporary urban\npolicies has to be studied in relation with two trends : 1) the development of multilevel governance and\n2) during the current ―Urban moment‖ (Beauregard &amp; Body-Gendrot 2000; Healey, Khakee, Motte &amp;\nNeedham 1995), globalising cities are growing, gaining inhabitants (not everywhere,) and they are seen,\nfor the time being to be gaining momentum to be again place of cultural innovation, economic\ndevelopment, places for different kinds of projects and attempts to implement new modes of governance of\nmulticulturalism. (First paragraph)
Formulation of long-wavelength indocyanine green nanocarriers (2017)

Indocyanine green (ICG), a Food and Drug Administration (FDA)-approved fluorophore with excitation and emission wavelengths inside the "optical imaging window," has been incorporated into nanocarriers (NCs) to achieve enhanced circulation time, targeting, and real-time tracking in vivo. While previous studies transferred ICG exogenously into NCs, here, a one-step rapid precipitation process [flash nanoprecipitation (FNP)] creates ICG-loaded NCs with tunable, narrow size distributions from 30 to 180 nm. A hydrophobic ion pair of ICG-tetraoctylammonium or tetradodecylammonium chloride is formed either in situ during FNP or preformed then introduced into the FNP feed stream. The NCs are formulated with cores comprising either vitamin E (VE) or polystyrene (PS). ICG core loadings of 30 wt. % for VE and 10 wt. % for PS are achieved. However, due to a combination of molecular aggregation and Förster quenching, maximum fluorescence (FL) occurs at 10 wt. % core loading. The FL-per-particle scales with core diameter to the third power, showing that FNP enables uniform volume encapsulation. By varying the ICG counter-ion ratio, encapsulation efficiencies above 80% are achieved even in the absence of ion pairing, which rises to 100% with 1∶1 ion pairing. Finally, while ICG ion pairs are shown to be stable in buffer, they partition out of NC cores in under 30 min in the presence of physiological albumin concentrations.
Quantum cryptography over underground optical fibers (1996)

Quantum cryptography is an emerging technology in which two parties may simultaneously generated shared, secret cryptographic key material using the transmission of quantum states of light whose security is based on the inviolability of the laws of quantum mechanics. An adversary can neither successfully tap the key transmissions, nor evade detection, owing to Heisenberg`s uncertainty principle. In this paper the authors describe the theory of quantum cryptography, and the most recent results from their experimental system with which they are generating key material over 14-km of underground optical fiber. These results show that optical-fiber based quantum cryptography could allow secure, real-time key generation over ``open`` multi-km node-to-node optical fiber communications links between secure ``islands.``
Retrospective study in U.S. commercial sorghum breeding: II. Physiological changes associated to yield gain (2022)

Abstract Understanding physiological changes in response to long‐term selection for yield can inform breeding decisions and hasten genetic gain. The objective of this study was to characterize changes over time in yield‐relevant physiological traits for hybrids with different years of release for grain sorghum ( Sorghum bicolor L. Moench). Field trials were conducted during the 2018 and 2019 seasons in 8 site‐years across the states of Kansas and Texas including 20 commercially available grain sorghum hybrids released by Pioneer between 1963 and 2017. Detailed yield‐related physiological traits were determined in 2 site‐years including grain yield and its components, grain filling, plant biomass, panicle length, and water‐soluble carbohydrates (WSC) during the reproductive period. Consistent with estimates using historical yield data, sorghum yield improvement was 27 kg ha −1 yr −1 . For the 2 site‐years with detailed yield‐related physiological traits, no changes in final grain weight, grain‐filling duration, and rate over time were documented. In contrast, grain number increased at a rate of 100 grains m −2 yr −1 . Modern hybrids had larger panicle size and showed greater accumulation of WSC during vegetative period (as measured at the start of flowering) and greater remobilization of WSC during the reproductive period (after flowering) to grain, thus, maintaining grain size on the increased grain number per unit area and harvest index. These findings suggest that WSC dynamics play a critical role on past genetic yield gain in sorghum and its potential for future improvements should be considered.
A Survey of Algorithms for Integrating Wafer-Scale Systolic Arrays. (1986)

VLSI technologists are fast developing wafer-scale integration. Rather than partitioning a silicon wafer into chips as is usually done, the idea behind wafer-scale integration is to assemble an entire system (or network of chips) on a single wafer, thus avoiding the costs and performance loss associated with individual packaging of chips. A major problem with assembling a large system of microprocessors on a single wafer, however, is that some of the processors, or cells, on the wafer are likely to be defective. This paper surveys practical procedures for integrating 'around' such faults. The procedures are designed to minimize the length of the longest wire in the system, thus minimizing the communication time between cells. Although the underlying network problems are NP-complete, all the procedures can be proved reliable by assuming a probabilistic model of cell failure. (Author)
Atomic pair distribution function (PDF) study of iron oxide nanoparticles in aqueous suspension (2009)

Size is the key regulating the crystalline structure of iron oxide nanoparticles. The effect of the crystal size on the microstructure of these nanoparticles was investigated in an aqueous dilute suspension by energy dispersive X-ray diffraction (EDXD) and in an aqueous concentrated suspension by X-ray powder diffraction (XRD), at 293 K. Nanoparticle structure was also investigated by HRTEM. Structural results were interpreted in terms of theoretical models built using structural parameters obtained by the Rietveld method on XRD. The ability of the pair distribution function (PDF) to measure medium-range correlation lengths and size in nanoscale crystalline materials was also investigated and discussed. The sensitivity of the PDF technique allowed modelling of sample polydispersity.
CuAAC in a Distal Pocket: Metal Active‐Template Synthesis of Strapped‐Porphyrin [2]Rotaxanes (2017)

The synthesis of a porphyrin rotaxane by dipolar cycloaddition takes advantage of the ditopic character of a phenanthroline-strapped porphyrin. The success of the click reaction was conditioned by the presence of both a coordinatively unsaturated metal in the porphyrin and a copper(I) bound to the phenanthroline, pointing at a new "tandem active metal template" mechanism.
Demonstration of Translucent Elastic Optical Network Based on Virtualized Elastic Regenerator (2012)

We propose a translucent elastic optical network based on a virtualized elastic regenerator. Using a real-time 128-Gb/s spectrum-selective subchannel regenerator, we verify the concept through mixed-rate superchannel regeneration and frequency-slot merger with spectrum conversion.
Phototoxic effects of zinc oxide nanowires (ZnO NWs) complexed with 5-ALA in RD cell line (2011)

In this current study, we have manifested the photosensitizing effects of zinc oxide nanowires (ZnO NWs) in dark as well as under ultra violet light exposure with 240 nm of UV region, using human muscle cancer (Rhybdomyosarcoma cells, RD) as in vitro experimental model. We have fabricated ZnO-NWs on the tip of borosilicate glass capillaries (0.5 μm diameter) and were conjugated using 5-aminolevulinic acid (ALA) for the efficient intracellular drug delivery. When ZnO NWs were applied on tumor localizing drugs with non ionizing illumination, then excited drug liberates reactive oxygen species (ROS), effecting mitochondria and nucleus resulting in cell necrosis within few minutes. During investigations, we observed that when ZnO-NWs grown on intracellular tip was excited by using 240 nm of UV light, as a resultant 625 nm of emitted red light were used as appetizer in the presence of 5-ALA for chemical reaction, which produces singlet oxygen, responsible for cell necrosis. Morphological changes of necrosed cells were examined under microscopy. Moreover, Viability of controlled and treated RD cells with optimum dose of light (UV-Visible) has been assessed by MTT assay as well as reactive oxygen species (ROS) detection.
Electronic Pre-Compensation of Narrow Optical Filtering for OOK, DPSK and DQPSK Modulation Formats (2009)

It is shown that electronic pre-compensation effectively reduces the degradation in system performance caused by narrow filtering that arises from the cascading of optical filters in spectrally efficient, wavelength division multiplexed systems. The pre-compensation is based on generating the appropriate electrical drive signals for an optical modulator such that the transmitted optical signal takes into consideration the subsequent optical filtering. Three modulation formats (on-off keying, differential-phase-shift keying and differential-quadrature-phase-shift keying) and two types of optical modulators (dual-drive Mach-Zehnder modulator and dual-parallel Mach-Zehnder modulator) are considered.
Supplementary Figure S1 from Enhanced Delivery of SN-38 to Human Tumor Xenografts with an Anti-Trop-2–SN-38 Antibody Conjugate (Sacituzumab Govitecan) (2023)

&lt;p&gt;Evaluation of the procedure used to quantitate the constitutive products derived from irinotecan or IMMU-132.&lt;/p&gt;
Embedding classical communication topologies in the scalable OPAM architecture (1996)

The paper presents novel embeddings of various classical topologies into the OPAM multicomputer. OPAM consists of a large number of processors that are connected by a two level, crossbar based interconnection network. The network combines a large, optical circuit-switched crossbar (reconfigurable network), with many small, packet-switching crossbars. The necessary embedding is very different than classical approaches. The goal in our case is to minimize routing decisions, so that communication requests can be satisfied by passing through two small crossbars. We show how to map parallel programs to this architecture using graph contraction notations. The family of parallel programs that we consider consists of multiple processes and communication links that are represented by connected, regular graphs such as rings, trees, two dimensional grids, cube connected cycles and hypercubes. In each case we show how to partition the vertex set of the program's graph to subsets, and how to assign each subset a cluster of processors in order to realize the topology of the given problem. In some of the cases we also prove that our partition and assignment algorithms are optimal.
Document transformation system from papers to XML data based on pivot XML document method (2004)

This paper proposes a new method for document transformation using OCR to generate various XML documents from printed documents. The proposed method adopts a hierarchical transformation strategy based on a pivot XML document. Firstly, document elements such as title, authors, abstract, headings, paragraphs, lists, captions, tables and figures are extracted from document images. Secondly, the hierarchical structure of document elements is extracted and is described using a DOM tree. Thirdly, this document structure is converted into a pivot XML document described as an XHTML document by an XML parser. Finally, this pivot XML document is transformed into the target XML document by the XML parser with XSLT scripts or specific programs. Experimental results show the method is effective in transforming printed documents to various XML documents.
Supplementary Figure S5 from CD44<sup>+</sup> Cells in Head and Neck Squamous Cell Carcinoma Suppress T-Cell–Mediated Immunity by Selective Constitutive and Inducible Expression of PD-L1 (2023)

&lt;p&gt;Supplementary Figure S5. Full-length Western blots corresponding to truncated blots shown in Fig 3.&lt;/p&gt;
Patients’ knowledge about their involvement in clinical trials. A non-randomized controlled trial (2022)

The research participants understanding of their involvement in clinical trials is limited. An educational intervention on the research team can improve the process of empowerment and transit of information.
Web services for integration of smart houses in the smart grid (2009)

Radical changes in the energy system, at the lower network level, will require integration of smart houses in the smart grid in order to realize the full potential. Introduction of renewables, an increase of distributed generation, and the trend towards an all-electric infrastructure lead to an increase in complexity, system management effort and cost that the smart grid should provide an answer for. This calls for houses that are pro-active and flexible participants in the smart grid. The home will no longer be an extension of a utility or energy service provider, but serve as an autonomous building block in a smart grid and determine autonomously how and to whom it will accept from and deliver energy services on the smart grid.
Phospholipid micelle encapsulated gadolinium oxide nanoparticles for imaging and gene delivery (2012)

We encapsulated gadolinium oxide (Gd<sub>2</sub>O<sub>3</sub>) nanoparticles within phospholipid micelles as a novel low cytotoxic T<sub>1</sub>-weighted MRI imaging contrast agent (MGdNPs) that can also deliver small molecules such as DNA plasmids. MGdNPs show relatively good MRI relaxivity values, negligible cytotoxicity, excellent cellular uptake and expression of DNA plasmids <i>in vivo</i>. Biodistribution studies in mice show that intranasal and intraperitoneal administration of MGdNPs can effectively target specific organs.
A new one‐component anhydride‐cured epoxy with an aliphatic disiloxane dianhydride and metal‐coordinated lewis bases (1990)

Abstract The use of 1,3‐di(5‐[2,2,1]‐bicyclohexyl‐2,3‐dicarboxylic anhydride)‐1,1,3,3‐tetramethyldisiloxane, 1 , as a curing agent in the presence of typical epoxy resins with Lewis bases as catalysts produces thermosets with HDTs of 320°C. The solubility of 1 in the epoxy resin allows for the preparation of a one‐component formulation. A latent catalyst was developed which employs amine complexes of cobalt bis(2,4‐pentanedionate). These formulations exhibit long term storage at ambient conditions, yet cure rapidly at 180–200°C.