gebhart/patrepeval huggingface dataset:
Optimizing aircraft routings in response to groundings and delays (2001)

This paper presents the time-band optimization model for reconstructing aircraft routings in response to groundings and delays experienced over the course of the day. Whenever the schedule is disrupted, the immediate objective of the airlines is to minimize the cost of reassigning aircraft to flights taking into account available resources and other system constraints. Associated costs are measured by flight delays and cancellations. The time-band model is constructed by transforming the routing problem into a time-based network in which the time horizon is discretized. The resulting formulation is an integral minimum cost network flow problem with side constraints. Conditions for which an exact solution to the model represents an optimal solution for the original problem are stated. The transformation procedure is polynomial with respect to the number of airports and flights in the schedule. Computational experience shows that the underlying network structure of the transformed problem often leads to integral solutions when solved with a standard linear programming code. Empirical results using Continental Airline data demonstrate that the solutions obtained are either provably optimal or no more than a few percentage points from the lower bound.
Virtual screening of electron acceptor materials for organic photovoltaic applications (2013)

Virtual screening involves the generation of structure libraries, automated analysis to predict properties related to application performance and subsequent screening to identify lead systems and estimate critical structure–property limits across a targeted chemical design space. This approach holds great promise for informing experimental discovery and development efforts for next-generation materials, such as organic semiconductors. In this work, the virtual screening approach is illustrated for nitrogen-substituted pentacene molecules to identify systems for development as electron acceptor materials for use in organic photovoltaic (OPV) devices. A structure library of tetra-azapentacenes (TAPs) was generated by substituting four nitrogens for CH at 12 sites on the pentacene molecular framework. Molecular properties (e.g. E _LUMO , E _g and μ ) were computed for each candidate structure using hybrid DFT at the B3LYP/6-311G** level of theory. The resulting TAPs library was then analyzed with respect to intrinsic properties associated with OPV acceptor performance. Marcus reorganization energies for charge transport for the most favorable TAP candidates were then calculated to further determine suitability as OPV electron acceptors. The synthesis, characterization and OPV device testing of TAP materials is underway, guided by these results.
Fluorine-containing photoreactive polyimide. 7. Photochemical reaction of pendant 1,2-naphthoquinone diazide moieties in novel photoreactive polyimides (1990)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFluorine-containing photoreactive polyimide. 7. Photochemical reaction of pendant 1,2-naphthoquinone diazide moieties in novel photoreactive polyimidesToshihiko Omote, Hideaki Mochizuki, Ken'ichi Koseki, and Tsuguo YamaokaCite this: Macromolecules 1990, 23, 22, 4796–4802Publication Date (Print):October 1, 1990Publication History Published online1 May 2002Published inissue 1 October 1990https://pubs.acs.org/doi/10.1021/ma00224a008https://doi.org/10.1021/ma00224a008research-articleACS PublicationsRequest reuse permissionsArticle Views378Altmetric-Citations40LEARN 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 Other access optionsGet e-Alertsclose Get e-Alerts
Synthesis of polystyrene–poly(<i>tert</i>‐butyl methacrylate)–poly(ethylene oxide) triarm star block copolymers (2004)

Abstract Three alternative routes, using the heterobifunctional macroinitiator technique, have been developed to obtain polystyrene–poly( tert ‐butyl methacrylate)–poly(ethylene oxide) triarm star block copolymers. Only the route showing the reverse initiation of tert ‐butyl methacrylate on potassium alkoxide leads to the pure star, whereas the other strategies lead to incomplete initiation because of either an increase in the side reactions, such as transesterification, or a decrease in the accessibility toward bulky catalysts. These limits are linked to the particular location of the initiating group at the junction of the two blocks of the copolymer precursor. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 1745–1751, 2004
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs (2014)

Dual Orexin Receptor Antagonists (DORA) bind to both the Orexin 1 and 2 receptors. High resolution crystal structures of the Orexin 1 and 2 receptors, both class A GPCRs, were not available at the time of this study, and thus, ligand-based analyses were invoked and successfully applied to the design of DORAs. Computational analysis, ligand based superposition, unbound small-molecule X-ray crystal structures and NMR analysis were utilized to understand the conformational preferences of key DORAs and excellent agreement between these orthogonal approaches was seen in the majority of compounds examined. The predominantly face-to-face (F2F) interaction observed between the distal aromatic rings was the core 3D shape motif in our design principle and was used in the development of compounds. A notable exception, however, was seen between computation and experiment for suvorexant where the molecule exhibits an extended conformation in the unbound small-molecule X-ray structure. Even taking into account solvation effects explicitly in our calculations, we nevertheless find support that the F2F conformation is the bioactive conformation. Using a dominant states approximation for the partition function, we made a comprehensive assessment of the free energies required to adopt both an extended and a F2F conformation of a number of DORAs. Interestingly, we find that only a F2F conformation is consistent with the activities reported.
The apoptogenic response of human myeloid leukaemia cell lines and of normal and malignant haematopoietic progenitor cells to the proteasome inhibitor PSI (2001)

Degradation of several intracellular proteins involved in cell cycle control and tumour growth is regulated by the ubiquitin-dependent multicatalytic protease complex (proteasome). We report that proteasome inhibitor Z-Ile-Glu(OtBu)-Ala-Leucinal (PSI) was cytotoxic on most human myeloid leukaemia cell lines at IC50 doses ranging from 5 to 25 nmol/l. Additionally, PSI pre-treatment enhanced cytotoxicity by taxol and cisplatinum. PSI was more active on leukaemic than on normal CD34(+) bone marrow progenitors because the 50% growth inhibition of colony-forming unit granulocyte macrophage (CFU-GM) from cases of chronic myelogenous leukaemia (CML) and normal subjects was achieved by 15 nmol/l and 50 nmol/l PSI respectively. PSI killed cells by apoptosis as revealed by ultrastructural changes, nuclear DNA fragmentation, cleavage of poly (ADP-ribose) polymerase (PARP) and of beta-catenin, and was antagonized by ectopic expression of Bcl-2 but not by inactivating mutations of p53. This event was associated with a slight accumulation of Bcl-2, a decrease of Bax but no changes in Bcl-X(L) protein expression at any time point. In Ph(+) cell lines BCR-ABL protein was only down-regulated after 48 h of treatment with 10 nmol/l PSI. Altogether, these results indicate that PSI, alone or in association with other cytotoxic agents, has anti-tumour activity against myeloid malignancies and is more effective on leukaemic than on normal haematopoietic progenitor cells.
Loss Minimization and Generalizations of Boosting (2012)

This chapter contains sections titled: 7.1 AdaBoost's Loss function, 7.2 Coordinate Descent, 7.3 Loss Minimization Cannot Explain Generalization, 7.4 Functional Gradient Descent, 7.5 Logistic Regression and Conditional Probabilities, 7.6 Regularization, 7.7 Applications to Data-Limited Learning, Summary, Bibliographic Notes, Exercises
Los Alamos HPDS: High-speed data transfer. [High Performance Data System (HPDS)] (1992)

The Los Alamos High-Performance Data System (HPDS) is being developed to meet data storage and data access requirements of Grand Challenge and National Security problems running in a high-performance computing environment. HPDS is a new-generation data storage system in which storage devices are directly connected to a network, data is transferred directly between client machines and storage devices, and software distributed on workstations provides system management and control capabilities. Essential to the success of HPDS will be the ability to effectively use HIPPI networks and HIPPI-attached storage devices for high-speed data transfer. This paper focuses on the peer-to-peer data transfer protocol that has been developed for HPDS, and it describes the HPDS implementation approach. Because HPDS is under development, many changes will have taken place between the time this paper was written in October 1992 and its presentation in April 1993.
An alternate approach for preservative testing of ophthalmic multiple-dose products. (1980)

The USP XIX Preservative Effectiveness Test when used alone to evaluate the preservative efficacy of ophthalmic multiple-dose products, does not provide sufficient information to detect a marginally preserved product. A modified testing procedure that incorporates kill rate determination and increased recoveries into the existing USP XIX method is proposed. This new procedure allows for a more quantitative evaluation of preservative effectiveness of formulations microbiologically challenged one or more times in the presence or absence of an organic load. The information provided by this test method will be helpful not only in formulating new products but also in evaluating new preservative test requirements.
Oligonucleotide Microarrays:  Immobilization of Phosphorylated Oligonucleotides on Epoxylated Surface (2006)

A facile and efficient method for direct immobilization of phosphorylated oligonucleotides on an epoxy-activated glass surface is described. The new immobilization strategy has been analyzed for its performance in DNA microarray under both microwave and thermal conditions. It reflects high immobilization efficiency ( approximately 23%), and signal-to-noise ratio ( approximately 98) and resulted in high hybridization efficiency ( approximately 36%) in comparison to those obtained with standard methods, viz., NTMTA ( approximately 9.76%) and epoxide-amine ( approximately 9.82%). The probes immobilized through the new strategy were found to be heat-stable, since the performance of microarray decreased by only approximately 7% after subjecting it to 20 PCR-like heat cycles, suggesting that the chemistry could be used in integrated PCR/microarray devices. The immobilization of probes following the proposed chemistry resulted in spots of superior quality in terms of spot morphology, spot homogeneity, and signal reproducibility. The constructed microarrays have been successfully used for the discrimination of nucleotide mismatches. In conclusion, these features make the new immobilization strategy ideal for facile, efficient, and cost-effective manufacturing of DNA microarrays.
Ultrasensitive Ethene Detector Based on a Graphene–Copper(I) Hybrid Material (2017)

Ethene is a highly diffusive and relatively unreactive gas that induces aging responses in plants in concentrations as low as parts per billion. Monitoring concentrations of ethene is critically important for transport and storage of food crops, necessitating the development of a new generation of ultrasensitive detectors. Here we show that by functionalizing graphene with copper complexes biologically relevant concentrations of ethene and of the spoilage marker ethanol can be detected. Importantly, in addition these sensors provide us with important insights into the interactions between molecules, a key concept in chemistry. Chemically induced dipole fluctuations in molecules as they undergo a chemical reaction are harvested in an elegant way through subtle field effects in graphene. By exploiting changes in the dipole moments of molecules that occur upon a chemical reaction we are able to track the reaction and provide mechanistic insight that was, until now, out of reach.
Inhaled nitric oxide: its effects on pulmonary circulation and airway smooth muscle cells. (1993)

Nitric oxide (NO), an endothelium-derived relaxing factor synthesized from L-arginine by the enzyme NO synthase, has been identified as an important, short-acting, endogenous vasodilator. In patients with pulmonary hypertension, inhaling a low dose of NO as a gaseous vasodilator has been shown to induce selective vasodilation in ventilated lung areas. It achieves this without the disadvantages attributed to systemically infused vasodilators e.g. systemic vasodilation and an increase in pulmonary right-to-left shunt with a consecutive fall in PaO2. Thus, inhaled NO reduces pulmonary hypertension in the severe adult respiratory distress syndrome and in persistent pulmonary hypertension of the newborn, and improves arterial oxygenation by redistributing pulmonary blood flow away from the shunt and towards areas with almost normal ventilation/perfusion ratios. The bronchodilatory effect of NO may be an alternative therapy for treating asthma and bronchospasm.
Methodology for Part Building Orientation in Additive Manufacturing (2018)

Computer-Aided Design and Applications is an international journal on the applications of CAD and CAM. It publishes papers in the general domain of CAD plus in emerging fields like bio-CAD, nano-CAD, soft-CAD, garment-CAD, PLM, PDM, CAD data mining, CAD and the internet, CAD education, genetic algorithms and CAD engines. The journal is aimed at all developers and users of CAD technology to ptovide CAD solutions for various stages of design and manufacturing. The journal publishes all about Computer-Aided Design and Computer-Aided technologies.
Molding of high aspect ratio ferroelectric microstructures (2005)

Fabrication of high aspect ratio structures of complex perovskite materials using photoresist templates is reported in this work. Water based (Pb,Ba)TiO/sub 3/ (PBT) and 2-methoxyethanol based PbZr/sub 0.52/Ti/sub 0.48/O/sub 3/ (PZT) sol-gel precursor solutions were used to infiltrate prefabricated photoresist templates on various substrates. The solutions were deposited by vacuum infiltration assisted dip coating. Pyrolysis and the crystallization of the pillars were performed after removal of the gel layer formed on the surface of the mold. During crystallization process of photoresist was removed simultaneously. Various aspect ratio PZT and PBT structures were obtained.
Measuring the Social Returns of Nonprofits and Social Enterprises: The Promise and Perils of the SROI (2014)

Abstract Social Return on Investment (SROI) metrics are a new tool available to nonprofit and social enterprise organizations to demonstrate the effectiveness and efficiency of their programs. After a short overview of three dominant methods for calculating the SROI, a case examining the implementation of an SROI study at a nationally recognized Boston-based nonprofit operating workforce development programs is presented to illuminate the methodological dilemmas across the arc of an SROI study. The case analysis centers on four key decision points in the implementation of the SROI study: identification of stakeholders, development of a method for estimating social value creation, determination of the time horizons, and selection of the discount rates. Next, to highlight the challenges in making comparisons across organizations, the second source of data is presented—a set of Yale SOM MBA student assignments conducting an SROI on a written case study found in the literature on workforce development. The student project results showcase how even when conducting SROI assessments on the same focal organization, the SROI calculation can vary widely depending on the outcome of the four decision points delineated above. The paper consequently offers two levels of analysis. First, it provides a detailed methodological overview of the reigning approaches to conducting an SROI. Second, it provides an assessment of the challenges to using SROI as a performance metric at this stage of the field’s development. Implications for use of the SROI are discussed from both the perspective of funders and the perspective of nonprofit organizations.
Light‐induced crosslinking polymerization (2002)

Abstract Light‐induced polymerization of multifunctional monomers is a powerful method to transform a liquid resin into a solid polymer almost instantly, selectively in the illuminated areas. The reaction can conveniently be followed by real‐time infrared spectroscopy, a technique which records directly conversion versus time curves in photosensitive resins undergoing ultrafast curing upon UV or laser exposure. The photoinitiator was shown to play a key role in laser‐induced polymerization because of the monochromatic character of the emitted radiation. By using highly sensitive acrylate photoresists, relief images of micronic size were obtained by fast scanning with a focused laser beam. The laser direct imaging technology makes image transfer obsolete and eliminates the manufacture of photolithographic masks. Polymer networks of different architectures have been obtained by UV irradiation of various monomer blends: acrylate–epoxide, acrylate–vinyl ether, acrylate–polyene, vinyl ether–maleate and thiol–polyene. With monomers polymerizing by different mechanisms, ie radical and cationic types, interpenetrating polymer networks have been generated upon UV exposure in the presence of adequate photoinitiators. The crosslinking reaction was also performed in the solid state on polybutadiene which was plasticized with a multifunctional acrylate or thiol monomer. Thermoplastic elastomers were transformed within a fraction of a second into an insoluble material showing a greatly improved resistance to heat and chemicals, because of the tight polymer network formed. © 2002 Society of Chemical Industry
Charge-packet splitting in charge-domain devices (1984)

The charge packet splitting operation employed by charge-domain filters to implement fractional multiplication has been described. Several experiments have been designed to determine the accuracy of this operation. The fabricated circuits investigate the dependence of split accuracy on coefficient value, channel width, barrier shape, barrier location, and the extra (dummy) barriers. A computerized data acquisition system has been designed and used in the characterization of the circuits. The dc and pulse transfer curves of these circuits show a good overall linearity. The transfer inefficiency, coefficient value, and coefficient error have been determined as a function of clock frequency. Results show that coefficient error is essentially independent of frequency, and that large coefficients and large channel widths yield higher accuracies. Dummy barriers decrease coefficient error significantly, especially in narrow-channel devices.
Use of Poly(ortho esters) and Polyanhydrides in the Development of Peptide and Protein Delivery Systems (1994)

This brief review summarizes the use of poly(ortho esters) and polyanhydrides in the controlled release of peptides and proteins. Poly(ortho esters) have been used for the controlled release of an LHRH analogue, in the development of an insulin self-regulated drug delivery system and in the development of vaccines, using lysozyme as a model protein. Polyanhydrides based on fatty acid dimers and sebacic acid have been used for the controlled release of a variety of proteins and linear release over a one moth period was achieved. Poly(ortho esters) and polyanhydrides offer a number of advantages over the more commonly used lactide/glycolide copolymers since they offer better control over polymer properties and erosional behavior. Poly(ortho esters) may offer an additional advantage in that initial hydrolysis products are neutral so that liberation of acidic primary hydrolysis products which are inherent in the hydrolysis of both lactide/glycolide copolymers and polyanhydrides may not be a problem.
Micromass culture: a recent in vitro system for testing embryotoxic potential of chemicals (2009)

Drugs and other chemicals must be evaluated for their teratatological potential before releasing them in the market. One of the model test system that is used in screening of embryotoxic chemicals in vitro , is the micromass culture test. The test involves exposing the rat embryo limb cells or cells of central nervous system (CNS) to various test agents for different time intervals and estimating the inhibition of cell differentiation in these cell cultures. The technique can be best used for identifying strong embryotoxic chemicals due to its sensitivity to a number of classes of potent teratogens and insensitivity to non-teratogens.
The Size Reduction of Liposomes with a High Pressure Homogenizer (Microfluidizer™). Characterization of Prepared Dispersions and Comparison with Conventional Methods. (1989)

AbstractA high pressure homogenizer (the Microfluidzer™) was tested for its ability to produce liposomal dispersions with a narrow size distribution. For dispersions with 40μmol phospholipid/ml, sonication and high pressure homogenization gave similar average particle diameters. With the Microfluidizer™ it was possible to produce reproducible dispersions with a mean particle size between 0.05 and 0.25μm and a narrow size distribution containing up to 200μmol phospholipid/ml. However, after processing 50 ml batches significant lipid loss was observed and small amounts of metal particles were found in the dispersions.
Dynamic gain equalisation of EDFAs with Fourier filters (1999)

Erbium doped fibre amplifiers have been widely deployed in optical communications systems, but their non-flat gain spectra are a significant performance limitation for DWDM (Dense Wavelength Division Multiplex) systems.
Predicting chaotic time series with fuzzy if-then rules (2002)

The authors continue work on a previously proposed ANFIS (adaptive-network-based fuzzy inference system) architecture, with emphasis on the applications to time series prediction. They show how to model the Mackey-Glass chaotic time series with 16 fuzzy if-then rules. The performance obtained outperforms various standard statistical approaches and artificial neural network modeling methods reported in the literature. Other potential applications of ANFIS are also suggested.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>