gebhart/patrepeval huggingface dataset:
Identification of Novel Small-Molecule ASGP-R Ligands (2016)

During the past decade asialoglycoprotein receptor (ASGP-R) expressed predominantly by hepatocytes has attracted a considerable attention as a convenient biomolecular trap for targeted drug delivery. Currently, several selective galactose-containing ligands equipped by drug molecules, e.g. known anticancer therapeutics, as well as diagnostic tools are under active preclinical development. In this paper, we have carried out a rational in silico screening among the molecules available in ChemDiv collection and compounds provided by our colleagues to reveal potential ASGP-R binders. Thus, 3D molecular docking approach provided a set of 100 `high score` molecules that was subsequently evaluated in vitro using an advanced Surface Plasmon Resonance (SPR) technique. As a result, dozens of novel small-molecule ASGP-R ligands with high diversity in structure were identified. Several hits showed the binding affinity much more better than that determined for galactose and Nacetylgalactosamine which were used as reference compounds. The disclosed molecules can be reasonably regarded as promising molecular devices for targeted drug delivery to hepatocytes.
Dynamic control in a coordinated multi-cellular maze solving system (2005)

Control system theory provides convenient tools and concepts for describing and analyzing complex cell functions. In this paper we demonstrate the use of control theory to forward-engineer a complex synthetic gene network constructed from several modular components. Specifically, we present the design and simulation of a synthetic multi-cellular maze-solving system. Here, bacterial cells are programmed to use artificial cell-to-cell communication and regulatory feedback in order to illuminate the correct path in a user-defined maze of cells arranged on a surface. Simulations were used to analyze the system's spatiotemporal dynamics and sensitivity to various kinetic parameters. Experiments with Escherichia coli were carried out to characterize the diffusion properties of artificial cell-to-cell communication based on bacterial quorum sensing systems. The rational design process and simulation tools employed in this study provide an example for future engineering of complex synthetic gene networks comprising multiple control system motifs.
Reflections on the 1994 Elections (1995)

No abstract available for this article.
Unveil the Full Potential of Integrated-Back-Contact Perovskite Solar Cells Using Numerical Simulation (2018)

The technologies of perovskite solar cells (PSCs) have been developing rapidly. After 8 years of research, the quantum efficiency of PSCs based on the planar sandwich structure has been approaching 100% in the visible light region. In order to further improve the performance of PSCs, adopting an integrated-back-contact (IBC) structure, which is expected to be able to reduce light loss, to the PSCs is a promising option. In this work, a numerical simulation method is, for the first time, used to verify the applicability of the IBC structure to PSCs. We have investigated the factors that may affect the power conversion efficiency of the IBC-PSCs, to demonstrate that IBC-PSCs are advantageous over the traditional sandwich PSCs when we use small contact width (≤5 μm) of the IBC-PSCs and reported characteristics of perovskite films (mobility ≥ 10 cm2 V–1 s–1, lifetime ≥ 1 μs) in the simulation. By optimizing the properties of perovskite films, we can fabricate IBC-PSCs with 11% of improved performance over that of the sandwich-type PSCs. The present results provide guidelines for the design and fabrication of highly efficient IBC-PSCs.
Wall-Flow Diesel Particulate Filters—Their Pressure Drop and Collection Efficiency (1989)

<div class="htmlview paragraph">The present study investigates the pressure drop and filtration characteristics of wall-flow diesel particulate monoliths, with the aid of a mathematical model. An analytic solution to the model equations describing exhaust gas mass and momentum conservation, in the axial direction of a monolith cell, and pressure drop across its porous walls has been obtained. The solution is in very good agreement with available experimental data on the pressure drop of a typical wall-flow monolith. The capture of diesel particles by the monolith, is described applying the theory of filtration through a bed of spherical collectors. This simple model, is in remarkable agreement with the experimental data, collected during the present and previous studies, for the accumulation mode particles (larger than 0.1 μm). Although the model does not account for post-monolith particle formation, the dimensionless groups suggested by the <i>filtration</i> theory are found to correlate the data for the nuclei mode particles (smaller than 0.1 μm). The predictive power of the design equations established, and their ease of use make them indispensable tools for the rational engineering design of diesel particulate filters.</div>
Predictions for Radiation Shielding Materials (2002)

Radiation from galactic cosmic rays (GCR) and solar particle events (SPE) is a serious hazard to humans and electronic instruments during space travel, particularly on prolonged missions outside the Earth s magnetic fields. Galactic cosmic radiation (GCR) is composed of approx. 98% nucleons and approx. 2% electrons and positrons. Although cosmic ray heavy ions are 1-2% of the fluence, these energetic heavy nuclei (HZE) contribute 50% of the long-term dose. These unusually high specific ionizations pose a significant health hazard acting as carcinogens and also causing microelectronics damage inside spacecraft and high-flying aircraft. These HZE ions are of concern for radiation protection and radiation shielding technology, because gross rearrangements and mutations and deletions in DNA are expected. Calculations have shown that HZE particles have a strong preference for interaction with light nuclei. The best shield for this radiation would be liquid hydrogen, which is totally impractical. For this reason, hydrogen-containing polymers make the most effective practical shields. Shielding is required during missions in Earth orbit and possibly for frequent flying at high altitude because of the broad GCR spectrum and during a passage into deep space and LunarMars habitation because of the protracted exposure encountered on a long space mission. An additional hazard comes from solar particle events (SPEs) which are mostly energetic protons that can produce heavy ion secondaries as well as neutrons in materials. These events occur at unpredictable times and can deliver a potentially lethal dose within several hours to an unshielded human. Radiation protection for humans requires safety in short-term missions and maintaining career exposure limits within acceptable levels on future long-term exploration missions. The selection of shield materials can alter the protection of humans by an order of magnitude. If improperly selected, shielding materials can actually increase radiation damage due to penetration properties and nuclear fragmentation. Protecting space-borne microelectronics from single event upsets (SEUs) by transmitted radiation will benefit system reliability and system design cost by using optimal shield materials. Long-term missions on the surface of the Moon or Mars will require the construction of habitats to protect humans during their stay. One approach to the construction is to make structural materials from lunar or Martian regolith using a polymeric material as a binder. The hydrogen-containing polymers are considerably more effective for radiation protection than the regolith, but the combination minimizes the amount of polymer to be transported. We have made composites of simulated lunar regolith with two different polymers, LaRC-SI, a high-performance polyimide thermoset, and polyethylene, a thermoplastic.
The use of interactive graphical maps for browsing medical/health Internet information resources (2003)

As online information portals accumulate metadata descriptions of Web resources, it becomes necessary to develop effective ways for visualising and navigating the resultant huge metadata repositories as well as the different semantic relationships and attributes of described Web resources. Graphical maps provide a good method to visualise, understand and navigate a world that is too large and complex to be seen directly like the Web. Several examples of maps designed as a navigational aid for Web resources are presented in this review with an emphasis on maps of medical and health-related resources. The latter include HealthCyberMap maps http://healthcybermap.semanticweb.org/, which can be classified as conceptual information space maps, and the very abstract and geometric Visual Net maps of PubMed http://pubmed.antarcti.ca/start. Information resources can be also organised and navigated based on their geographic attributes. Some of the maps presented in this review use a Kohonen Self-Organising Map algorithm, and only HealthCyberMap uses a Geographic Information System to classify Web resource data and render the maps. Maps based on familiar metaphors taken from users' everyday life are much easier to understand. Associative and pictorial map icons that enable instant recognition and comprehension are preferred to geometric ones and are key to successful maps for browsing medical/health Internet information resources.
Hierarchical control of intelligent machines applied to space station telerobots (1988)

A hierarchical architecture is described which supports space station telerobots in a variety of modes. The system is divided into three hierarchies: task decomposition, world model, and sensory processing. Goals at each level of the task decomposition hierarchy are divided both spatially and temporarily into simpler commands for the next lower level. This decomposition is repeated until, at the lowest level, the drive signals to the robot actuators are generated. To accomplish its goals, task decomposition modules must often use information stored in the world model. The purpose of the sensory system is to update the world model as rapidly as possible to keep the model in registration with the physical world. The architecture of the entire control system hierarchy and how it can be applied to space telerobot applications is described.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Analysis of emerging technology for DC-enabled smart homes (2015)

The parallel growth of intelligent home automation and small-scale DC distribution has presented new opportunities to improve the functionality and performance of residential spaces. A “smart home” of the future will feature advancements in two essential layers of the house infrastructure: the power distribution layer and the information technology (IT) layer. This paper will discuss implementations of these two layers and present technologies that can conveniently and safely unite them, reducing expense and accelerating the adoption of smart home concepts.
FACTORS AFFECTING THE GROWTH OF TUBERCLE BACILLI IN LIQUID MEDIA. (1946)

1. Certain water-soluble esters of long chain fatty acids (in particular of oleic acid) favor submerged and diffuse growth of mycobacteria throughout the depth of synthetic liquid media. 2. Esters of oleic acid increase considerably the amount of growth yielded by avian strains in synthetic media. 3. The addition of serum albumin to synthetic liquid media permits visible growth of minimal inocula of virulent human tubercle bacilli (10(-8) mg.) within 11 to 15 days. 4. Cultures growing diffusely in media containing the water-soluble esters- with or without albumin-consist of cells of classical morphology and staining properties, which again exhibit the usual mode of growth when returned to the standard synthetic or egg yolk media.
Volatile components of Rooibos tea (Aspalathus linearis) (1985)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTVolatile components of Rooibos tea (Aspalathus linearis)Tsutomu Habu, Robert A. Flath, T. Richard Mon, and Julia F. MortonCite this: J. Agric. Food Chem. 1985, 33, 2, 249–254Publication Date (Print):March 1, 1985Publication History Published online1 May 2002Published inissue 1 March 1985https://pubs.acs.org/doi/10.1021/jf00062a024https://doi.org/10.1021/jf00062a024research-articleACS PublicationsRequest reuse permissionsArticle Views620Altmetric-Citations51LEARN 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
Amplification of noise in a cascade chemical reaction (2004)

Networks of chemical reactions have been given much attention recently. However, dynamical aspects of such networks remain to be elucidated. In this paper, we study a cascade chemical reaction, consisting of a series of downstream-coupled Brusselators. Along the cascade of reaction, small fluctuations naturally existing in the concentration of chemical species are amplified. Such amplification of small noise leads to the formation of chemical oscillations in the downstream chemical species. The amplification rate of small noise in the concentration along the cascade is studied and the method to calculate the amplification rate analytically is developed. It is also shown that the nonlinear evolution of the chemical oscillation in the downstream reaction strongly depends on the frequency of the initial inlet chemical concentration.
Lateral thermal damage along pulsed laser incisions (1990)

The damage adjacent to incisions created in dorsal mouse skin by overlapping Er3+ and CO2 laser pulses of a duration of 250 microseconds is investigated histologically. It is compared to injuries induced by long-term heating. We demonstrate how the lateral thermal damage near the laser cuts can be explained by heat conduction. We show that it is necessary to introduce as a heat reservoir a layer of tissue that has been liquified during the cutting process. The width of the thermally damaged region depends mainly on the extension of the liquid material that remains in the cut after the laser-tissue interaction.
DataSpace: 3-D Visualizations of Large Databases (1995)

DataSpace is a system for interactive 3-D visualization and analysis of large databases. DataSpace utilizes the display space by placing panels of information, possibly generated by different visualization applications, in a 3 -D graph layout, and providing continuous navigation facilities. Selective rearrangements and transparency can be used to reduce occlusion or to compare or merge a set of images (e.g. line graphs or scatter plots) that are aligned and stacked in depth. A prototype system supporting the basic 3-D graphic operations (layout, zoom, rotation, translation, transparency) has been implemented. We provide several illustrative examples of DataSpace displays taken from the current system. We present the 3-D display paradigm, describe the query, layout and rendering steps required to create a display, and discuss some performance issues.
Catalyst‐Free and Site‐Specific One‐Pot Dual‐Labeling of a Protein Directed by Two Genetically Incorporated Noncanonical Amino Acids (2012)

The genetic incorporation of one azide-containing and one keto-containing noncanonical amino acid into a protein at amber and ochre mutation sites respectively, followed by their orthogonal reactions with hydroxylamine-containing and cyclooctyne-containing dyes allows highly efficient one-pot site-specific dual labeling of the protein in a catalyst-free fashion. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by 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.
探討 paracaspase 抑制劑毒殺活化型瀰漫性大B 細胞淋巴瘤生長的機制 (2015)

瀰漫性大 B 細胞淋巴瘤(DLBCL)，根據基因表現可以分為兩大族群。分別為活化型細胞(Activated B-cell like DLBCL, ABC-DLBCL) 與生長中心型細胞(Germinal center B-cell like DLBCL, GCB-DLBCL)。持續活化的NF-κB 路徑活性是維持活化型細胞生存的必要條件。在先前文獻已被報導，CBM (CARMA1-BCL10-MALT1) 複合物中的CARMA1 蛋白突變是造成NF-κB 路徑活化的原因之一。而MALT1 蛋白在活化CBM 複合物與NF-κB 訊息傳遞路徑扮演相當重要的角色。多個研究文獻發現，MALT1 蛋白酶活性(protease activity) 的抑制劑可以有效地殺死活化型細胞，但是相關機制目前仍不清楚。在本篇文章中，將會觀察活化型與生長中心型細胞處理MALT1 抑制劑後，對於NF-κB 路徑的影響。藉此來探討抑制劑殺死活化型細胞的相關機制。由結果中可以觀察到，MALT1 與BCL10的切割產物以及p-IκBα 與IL-6 的產生均只出現在活化型細胞株HBL-1 與OCI-Ly3。這代表著，NF-κB 路徑在活化型細胞中就已經活化了。接著使用MTT 方法測得MALT1 抑制劑(MI-2 z-VRPR-FMK) 以及 IKK 路徑抑制劑(BMS-345541 Bay-11-7085) 在 BJAB 與OCI-Ly3 細胞的IC50 分別為1.54μM、259.7μM、4.22μM
與0.93μM 以及0.58μM、13.76μM、1.45μM 與0.33μM。由此結果得知BAJB 細胞對於這四種NF-κB 路徑抑制劑的耐受性都比OCI-Ly3 細胞來的好。當生長中心型的BJAB 細胞以TPA/Ionomycin 方法刺激NF-κB 路徑活化後，再與活化型OCI-Ly3細胞一樣，被MI-2 藥物處理，都可觀察到BCL10 切割產物消失、IκBα 與 p-IκBα以及IL-6 核醣核酸表現量都下降。若OCI-Ly3 細胞與BJAB 細胞在MALT1knockdown 的處理下，同樣先需使用TPA/Ionomycin 刺激BJAB 細胞的NF-κB路徑活化後，則也可觀察到BCL10 切割產物消失以及IL-6 核醣核酸表現量下降，但是IκBα 與 p-IκBα 表現量並無改變。因此由實驗結果得知，MI-2 藥物處理細胞或是knockdown MALT1 後，確實會使NF-κB 訊息傳遞路徑受到抑制。而我們實驗室認為MI-2 藥物毒殺細胞的可能機制是，MALT1 蛋白酶活性受到抑制後，此蛋白產生dominant negative effect 所導致的現象。
Techniques for Evaluating Charge Coupled Imagers (1977)

Charge coupled imagers present special problems not encountered with beam-scanned sensors. This paper describes some of the instrumentation, procedures, and analyses used to evaluate charge coupled imagers. A simple analog technique for extracting signals from noise is discussed. Techniques are given for measuring and interpreting MTF (modulation transfer function), limiting resolution, temporal and spatial noise, image spreading, and image lag. Effects peculiar to CCDs (charge coupled devices) and CIDs (charge injection devices), such as aliasing and image smearing, are discussed.
CX.—The action of Grignard reagents on the esters of certain dicarboxylic acids (1919)

H. Hepworth, J. Chem. Soc., Trans., 1919, 115, 1203 DOI: 10.1039/CT9191501203
Initiation and formation of partial discharges in mineral-based insulating oil (1994)

This paper reports the results of fundamental investigations concerning the behavior of partial discharges (PD) in mineral-based oil with the aim of characterizing the physical mechanisms that lead to the initiation and formation of PD pulses. First the influence of the parameters temperature, moisture, pressure and oil condition on the PD inception voltage, the apparent charge and the number of PD pulses are introduced. Furthermore some results achieved by investigating the shape of PD pulses and the behavior of visible PD channels using the Schlieren technique are explained. The paper ends with a discussion of the obtained results.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
AFGHANISTAN'S OPIUM DRUG ECONOMY (2004)

In conditions of lawlessness and impoverishment, opium has become Afghanistan's leading economic activity, accounting for one third of (opium inclusive) GDP in 2003, and even more so in 2004. The opium boom has been stimulated by a decline in supply to the world market from other sources, as well as growing demand from new markets, by Afghanistan's comparative advantage as a producer, and by conditions arising from the war - the collapse of governance, rural pauperization, and the trade in drugs for arms. However, weak data on farmers' situations make it difficult to determine the right balance between poverty alleviating approaches to crop reduction, and law enforcement approaches such as forcible eradication. Although households do switch between opium and food crops, there is no evidence that opium is crowding out cereals production. The report reviews the opium production and the rural economy in Afghanistan, and examines its processing and trafficking, to expand on the economics, and political economy of the opium industry, within the regional, and international dimension. Part II provides a view on fighting opium from lessons of experience. Further analyzed is the Government strategy for a reduction in opium production (targeting a 70 percent reduction by 2008, and eliminated by 2013), its options and trade offs. Part III examines how to operate the national drugs control strategy, and stipulates the institutional structures that can help implement the counter-narcotics strategy. In addition, preparation and implementation of a nationwide alternative livelihoods program, with a focus on mainstreaming should be considered, as well as a parallel process of definition, programming, and investment for the law enforcement and judicial reform processes. Other suggestions include actions on money laundering, revision of innovative approaches, and, engage international support around a cohesive strategic approach.
Method of Synthesizing a Beam-Forming Device for the N-Beam and N-Element Array Antenna, for any N (2012)

The possibility of forming a set of spatially dispersed and mutually orthogonal beams in an array antenna has been known long ago. The method for obtaining a device that forms a fan of beams for arrays with the number of elements and beams equal to N = 2 <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">p</sup> was suggested by Butler. Realizing a fan of mutually orthogonal beams for arrays with any N, was shown by us in "Synthesis of pattern forming networks" Radio Engineering and Electronic Physics, vol. 27, no. 7, pp. 28-35, 1982. The schemes of the corresponding devices for N = 5, 6 and 8 were also represented, however, the method for building a concrete scheme was described there without details. The present paper is dedicated to the procedure of synthesizing a beam-forming device based on the factorization of its transmission matrix, at this point, each factor represents a matched and decoupling hybrid. As a result, the beam-forming network is represented by a cascade connection of elementary matrices containing one hybrid or several 90° phase shifters. The procedure is illustrated using examples of synthesizing matrices for N = 8 and N = 9 having broadside beams, and also that for N = 6 where the left and right beams are symmetrical as normally assumed for "Butler" matrices. Furthermore, the scheme with N = 8 is compared with the corresponding "Butler" matrix.