gebhart/patrepeval huggingface dataset:
Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase (2007)

The inosine monophosphate cyclohydrolase (IMPCH) component (residues 1-199) of the bifunctional enzyme aminoimidazole-4-carboxamide ribonucleotide transformylase (AICAR Tfase, residues 200-593)/IMPCH (ATIC) catalyzes the final step in the de novo purine biosynthesis pathway that produces IMP. As a potential target for antineoplastic intervention, we designed IMPCH inhibitors, 1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide (heterocycle, 1), the corresponding nucleoside (2), and the nucleoside monophosphate (nucleotide) (3), as mimics of the tetrahedral intermediate in the cyclization reaction. All compounds are competitive inhibitors against IMPCH (K(i) values = 0.13-0.23 microm) with the simple heterocycle 1 exhibiting the most potent inhibition (K(i) = 0.13 microm). Crystal structures of bifunctional ATIC in complex with nucleoside 2 and nucleotide 3 revealed IMPCH binding modes similar to that of the IMPCH feedback inhibitor, xanthosine 5'-monophosphate. Surprisingly, the simpler heterocycle 1 had a completely different IMPCH binding mode and was relocated to the phosphate binding pocket that was identified from previous xanthosine 5'-monophosphate structures. The aromatic imidazole ring interacts with a helix dipole, similar to the interaction with the phosphate moiety of 3. The crystal structures not only revealed the mechanism of inhibition of these compounds, but they now serve as a platform for future inhibitor improvements. Importantly, the nucleoside-complexed structure supports the notion that inhibitors lacking a negatively charged phosphate can still inhibit IMPCH activity with comparable potency to phosphate-containing inhibitors. Provocatively, the nucleotide inhibitor 3 also binds to the AICAR Tfase domain of ATIC, which now provides a lead compound for the design of inhibitors that simultaneously target both active sites of this bifunctional enzyme.
Engineering perpendicular magnetic anisotropy in Fe via interstitial nitrogenation: N choose <i>K</i> (2016)

In this work, combining experimental results and first principles calculations, we show that interstitial nitrogen not only serves for inducing tetragonality in α′-Fe8Nx but is also essential for achieving a high degree of perpendicular magneto-crystalline anisotropy, K. Our results demonstrate that the orbital magnetic moments of the iron atoms above and below N in the direction of magnetization are much more susceptible to the applied magnetic field than their in-plane counterparts, leading to a giant value of K as compared to a hypothetical distorted material without N.
铜镍合金BFe30-1-1在流动人工海水中的腐蚀行为* (2009)

采用旋转圆筒式冲刷腐蚀装置通过多种化学测试及失重测量研究了铜镍合金ＢＦｅ３０－１－１在不同流速人工海水中的腐蚀行为，同时应用ＳＥＭ观察了材料表面的冲刷腐蚀形貌。结果表明，在不同流速的人工海水中，ＢＦｅ３０－１腐蚀反应的线性极化常数不同，它随流速的增大而增大；ＢＦｅ３０－１－１在人工海水中膜破裂的临界流速为３ｍ／ｓ左右。
Wagner-Meerwein Rearrangements. III. Further Aspects of Acid-catalyzed Opening of Steroidal 16,17-Epoxides (1959)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTWagner-Meerwein Rearrangements. III. Further Aspects of Acid-catalyzed Opening of Steroidal 16,17-EpoxidesElliot L. Shapiro, Merl Steinberg, David Gould, Margaret Jevnik Gentles, Hershel L. Herzog, Marilyn Gilmore, William Charney, E. B. Hershberg, and Leon MandellCite this: J. Am. Chem. Soc. 1959, 81, 24, 6483–6486Publication Date (Print):December 1, 1959Publication History Published online1 May 2002Published inissue 1 December 1959https://pubs.acs.org/doi/10.1021/ja01533a038https://doi.org/10.1021/ja01533a038research-articleACS PublicationsRequest reuse permissionsArticle Views161Altmetric-Citations19LEARN 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
Realization of arbitrary discrete unitary transformations using spatial and internal modes of light (2015)

Any lossless transformation on ${n}_{s}$ spatial and ${n}_{p}$ internal modes of light can be described by an ${n}_{s}{n}_{p}\ifmmode\times\else\texttimes\fi{}{n}_{s}{n}_{p}$ unitary matrix, but there is no known procedure to effect an arbitrary ${n}_{s}{n}_{p}\ifmmode\times\else\texttimes\fi{}{n}_{s}{n}_{p}$ unitary matrix on light in ${n}_{s}$ spatial and ${n}_{p}$ internal modes. We devise an algorithm to realize an arbitrary discrete unitary transformation on the combined spatial and internal degrees of freedom of light. Our realization uses beam splitters and operations on internal modes to effect arbitrary linear transformations. The number of beam splitters required to realize a unitary transformation is reduced as compared to existing realization by a factor ${n}_{p}^{2}/2$ at the cost of increasing the number of internal optical elements by a factor of 2. Our algorithm thus enables the optical implementation of higher dimensional unitary transformations.
Two dimensional cellular automata simulation of grain growth during solidification and recrystallization (2015)

A two dimensional cellular automata model has been developed to simulate and to study grain growth behavior during solidification and recrystallization processes, including predicting mechanical properties of metallic materials or investigating mechanical defects. Using the algorithm implemented, grain growth in model materials (nickel-based and titanium alloys) has been calculated in different thermal fields.
Notes on efficient ray tracing (2005)

There are many ways to make your ray tracer faster. If you're writing an interactive ray tracer, you've got to turn to your bottlenecks in your code and make them scream. You're probably spending the majority of your time computing ray-scene intersections (in some applications, ray-scene intersection may not be the bottleneck, for example Perlin noise is commonly a performance bottleneck for applications that use it heavily). To speed up ray-scene intersections, you use acceleration structures, but how do you get that extra factor of two in performance? This document is some informal notes on experience we've had at Utah on this topic. I do not include citations here. For the sources of these techniques see the bibliography for the chapters from the second edition of Fundamentals of Computer Graphics included in these notes. Several papers discussing these techniques are also included in these notes.
ChemInform Abstract: Isomorphous Substitution in Zeolites: A Route for the Preparation of Novel Catalysts (1992)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Choosing an Error Protection Scheme for a Microprocessor's L1 Data Cache (2006)

We deconstruct and compare the two dominant existing approaches for L1 data cache (L1D) error protection, with respect to performance, L2 cache bandwidth, power, and area. The two approaches are: (1) parity on the L1D with write-through to an ECC-protected L2, and (2) ECC protection on the L1D. Qualitatively, the first approach requires a write-through LID, which places a large bandwidth and power demand on the L2. The second approach adds more bits in the LID for error protection, which adds to the L1D's area and power while degrading its performance. Our quantitative results show that the relative costs of the second approach are small and that its benefits outweigh these costs. We also present a new error protection scheme, called the punctured ECC recovery cache (PERC), that achieves the best features of both existing schemes.
Interferon production by lymphocytes from multiple sclerosis and non‐MS patients (1983)

Peripheral blood lymphocytes from MS patients and non-MS patients were induced to produce interferon by incubation with canine distemper, mumps, Sendai, herpes simplex I, and two strains of measles viruses. Lymphocytes from MS patients produced as much pH 2 stable interferon as did those from non-MS patients in response to induction with any of these viruses. In addition, there were no significant differences in amounts of interferon produced by lymphocytes from MS patients in three different clinical stages of the disease.
Analytical modeling of contact resistance in organic transistors (2012)

Organic thin film transistors (OTFTs) are of significant interest for the development of organic electronics. The devices described in this paper, through measurements, analytic extraction of parameters and simulations, are organic transistor having Polytriarylamine (PTAA) as semiconductor. This paper refers to the determination of the source and drain contact resistance of these PTAA organic transistors. The MATLAB Simulink model is based on an analytic model, for which DC Sweep and parametric simulations were employed in order to obtain the total resistance. The results are processed in accordance to the Transfer Line Method (TLM). This mathematical method uses results on the total channel resistance of the thin film transistors with various channel lengths in order to extrapolate the contact resistance. The TLM structures considered here are bottom contact top gate OTFTs with interdigitated electrodes of various channel lengths. The values of the contact resistance are considered equal due to the symmetry of the measured structure.
Refractive Surgery in the United States1 (2015)

In a mere 8 years, refractive corneal surgery in the United States has become a commonly practiced procedure. The major procedures being performed today are keratotomy for the correction of myopia and astigmatism and epikeratoplasty for the correction of aphakia. Current, on-going clinical studies involving intrastromal implantation of hydrogel materials have just begun. Clear lens extraction for myopia and intraocular lens implantation in high myopia at the time of cataract surgery are being used more commonly each day. Recognition of and modification of pre-existing corneal astigmatism at the time of cataract surgery has been able to provide patients with much improved visual acuity after surgery.
Textes spirituels et existence chrétienne : la place évangélique du lecteur (2009)

Résumé Dans le christianisme d’aujourd’hui, les textes spirituels sont lus et appréciés pour la saveur de la vie chrétienne qu’ils révèlent, et l’élan à vivre la foi qu’ils communiquent. L’adjectif « spirituel » qualifie des textes qui traitent de la vie de foi dans la prière ou dans l’action. Il renvoie explicitement à l’Esprit qui conduisait Jésus de Nazareth selon les Écritures. Les textes spirituels nous feraient voir ainsi comment il est possible de mener une existence chrétienne. Dire cela ne doit pas masquer la situation dans laquelle nous lisons ces textes aujourd’hui : ils se trouvent au carrefour d’intérêts et de démarches tantôt complémentaires, tantôt conflictuelles, situés sur une ligne qui semble départager la foi de l’absence de foi en Jésus Christ. Aussi, parler à l’intérieur du christianisme de la relation des textes spirituels à l’existence chrétienne suppose de s’inscrire en ce lieu de divergences herméneutiques. Ainsi nous a-t-il paru fécond, dans le contexte de ces lectures plurielles, de nous interroger sur la relation qui s’instaure entre les lecteurs et ces textes. Nous montrerons dans un premier temps quels problèmes surgissent de la constitution du corpus des textes spirituels pour préciser les types d’interprétations qui ont cours. Nous pourrons nous demander dans un second temps ce qui se donne à lire dans ces textes afin de dégager, dans une troisième partie, la manière dont ils peuvent être lus aujourd’hui au sein de la foi chrétienne.
All-optical or logic gate based on a photonic crystal fiber Michelson interferometer operating with pulse-position modulation (2019)

We present a numerical investigation of the study of the Michelson interferometer by exploring the potential of such a device to act as an all-optical logic gate when excited with ultrashort pulses of 100 fs. The input pulse is controlled by a pulse-position modulation (PPM) modulator, which has the role of controlling the value and direction of the temporal displacement from the variation of the PPM modulating factor. We present the study on the signal-to-noise ratio (SNR), which served as the basis for constructing a merit figure of the studied logic gates in order to verify their performance. We considered pulse propagation under the influence of dispersive effects, as well as the nonlinear effects in the propagation regime with no loss for the input pulses. It was possible to implement the OR logic operation in at least one interval of the modulation adjustment parameter in each of the distinct pumping power regimes, thus obtaining a total of nine intervals of OR logic gate. The situation with the best SNR = 29.36 dB, for the suggested logic gate operation, was found at the power of 150 kW with the modulation adjustment parameter ε = 43 fs. Numerical studies were done from the coupled–coupled equations solved using the fourth-order Runge–Kutta method. The implementation of fully optical logic gates tends to revolutionize digital systems in the field of data storage, such as optical memory, “replacement” of electronic circuits among other applications.
ELECTRORHEOLOGICAL EFFECT OF LIQUID CRYSTALLINE POLYMERS (1996)

A series of side chain liquid crystalline polymers (LCPs) containing different spacer length and various terminal structures has been prepared and their electrorheological (ER) effect has been investigated. Although the LCP itself showed small ER effect, a mixture of the LCP with a plain polydimethylsiloxane (PDMS) oil was found to show a large increase in shear stress upon application of an electric field. The shear stresses under DC 2 kV/mm of an electric field were 14 to 4 times those without the application of an electric field over the temperature range of 30 to 160 °C for a 2:1 mixture (by weight) of a LCP containing an oxyethylene spacer and a mesogen based on 4-cyanophenyl benzoate with PDMS. Two mechanisms responsible for the generation of the ER effect was suggested from the investigation using phenyl-substituted PDMS and an analysis by DSC: oriented LC network induction, and phase separation between the LC base polymer and PDMS.
Pricing of dialup services: an example of congestion-dependent pricing in the Internet (2002)

Recent research on dynamic pricing of multiclass loss networks has shown that the performance of optimal static pricing approaches that of optimal dynamic (congestion-dependent) pricing in the many small sources limit. In our own work with similar models, we have found it difficult to obtain large gains over static pricing in realistic settings, even when the many small sources assumption is violated. In this paper we give an example which is a stochastic control model for congestion-dependent pricing of Internet services. Our formulation captures the basic tradeoff in allocating bandwidth to two classes of users in maximizing average net revenue. Optimal pricing requires that the ISP anticipate and respond to changes in bandwidth consumption. Our goal is to quantify the gain that can be achieved through dynamic pricing over open loop pricing strategies which may or may not account for time-of-day effects. We frame the problem as a continuous-time Markov decision process for which we numerically compute optimal solutions.
ChemInform Abstract: PRODUCTION OF HEXAMETHYLENIMINE (1977)

Abstract Die katalytische Hydrierung von e‐Caprolactari (I) über einem neuen Co‐Re‐Mo‐Katalysator unter gleichzeitiger Entfernung des gebil = deten Hexamethylenimins mit dem gebildeten Wasser und überschüssigem Wasserstoff liefert das Hexamethylenimin (II) in Ausbeuten bis zu 94%.
Gold Micro-Shunt Implants Versus Ahmed Glaucoma Valve (2014)

During long-term follow-up, success rates in the 2 GMS groups and the AGV group were similar. Likewise, IOP reduction and the need for continued glaucoma medical therapy remained high and were similar for all devices.
Evolution of Medium Voltage Cable Technology in Europe (2008)

This paper presents the evaluation of the performance of these cables in the field and to review the improvements that have been made within Europe. In the early 1980s, the first generation of medium voltage cables were made with graphitized outer screen, double extrusion, polyvinylchloride (PVC) sheaths, and classic homo-polymer XLPE insulation. Because these cables demonstrated early failures in the field, cable makers introduced triple extrusion and extruded outer screens using semiconducting material instead of graphite. Additionally, the jacketing was changed from PVC to medium density polyethylene (MDPE), and later to high density polyethylene (HDPE). Compound producers also improved the cleanliness of their compounds and developed the so-called polymer water tree retardants (WTR) [1]. In this paper, we discuss the performance of medium voltage (up to 36 kV) cables, and the effects of changes made to production methods.
Essential oils of six <i>Gomidesia </i>spp. from southern Brazil (2003)

Abstract Essential oils from Gomidesia schaueriana , G. sellowiana , G. spectabilis , G. anacardiifolia , G. palustris and G. tijucensis , collected in Southern Brazil, were analysed by GC and GC–MS. Fifty‐two compounds were identiﬁed, representing 92–98% of the oil contents. All samples were rich in cyclic sesquiterpenes (about 90%), mainly those from the cadinene and germacrene cyclization pathway. The oils from G. schaueriana , G. spectabilis , G. anacardiifolia and G. palustris were quite similar, with a predominance of β ‐caryophyllene, germacrene D, bicyclogermacrene, spathulenol, globulol and α ‐cadinol. G. sellowiana was rich in spathulenol, followed by geranylgeraniol, and G. tijucensis was characterized by the presence of α ‐ and β ‐selinene. Copyright © 2003 John Wiley & Sons, Ltd.
The Departure of the Overtones of a Vibrating Wire From a True Harmonic Series (1939)

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Measured properties (1989)

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Ionizing radiation activates interferon-inducible Stat1-dependent pathway and leads to the formation of cross-resistance to irradiation and interferon. (2007)

2172 Interferons can interact with ionizing radiation (IR) by sensitizing tumor cells to cytotoxic effects of irradiation. However, molecular mechanisms of this interaction remain unclear. We previously showed that in vivo selection of radiosensitive SCC61 xenografts by repetitive cycles of ionizing radiation leads to the formation of radioresistant tumor (nu61). Using expressional profiling we found that nu61 over-express specific patterns of genes which is over represented by interferon-stimulated genes (ISGs) and include Stat1-major trans-activator of ISGs (N.N.Khodarev et. al., PNAS USA, 2004, 101:1714).The objectives of this study were to characterize effects of ionizing irradiation (IR) on induction/activation of Stat1 and other factors involved in IFN signaling and consequences of constitutive activation of IFN/Stat1 pathway. We reporthere that IR led to up-regulation of Stat1 and IRF-7 in SCC-61 and nu61. However, IRF-1 was expressed and up-regulated only in SCC61. 24 hours after irradiation synthesis of IFN alpha and up-regulation of Stat1-dependent ISGs were detected. This demonstratestheability of ionizing radiation to activate anIFN-inducible, Stat1-dependent pathway. Interaction of ionizing radiation and IFN-inducible signaling on the level of Stat1 was confirmed by findings that IR can stabilize Tyr701 phosphorylation of Stat1, increasing combined cytotoxicity. Stat1-dependent cross-talk between IR-and IFN-induced pathways was also confirmed by in vitro selection of SCC-61 against IFN gamma and IFN alpha. Selected IFN resistant clones demonstratedover-expression of Stat1 and were radioresistant compared with parental SCC-61. Using B16 mouse melanoma sub-lines which were passed (B16F10) or not passed (B16F1) through immunocompetent animals we showed that adaptation of tumor clones to the host microenvironment is accompanied by formation of cross-resistance to IR and IFN. Taken together, these data show that Stat1-dependent pathways mediate response of tumors to IR. These data also suggest that host interferons may provide negative selection leading to formation of tumor clones with aggressive properties and cross-resistance to IFNs and genotoxic stress.
Photooxygenation of 2-propargylfurans: a path to structurally diverse nitrogen-containing 5-membered rings (2019)

The photooxygenation of 2-propargylfurans enabled access to original nitrogen-containing cyclopentenones and related compounds in a one-pot fashion. By employing readily-available substrates such as furans and amines, we succeeded in achieving a high degree of molecular complexity. Relying on the introduction of an alkyne moiety and tailored substrates, this transformation reveals a new facet for reaction sequences featuring the photooxygenation of furans.
Terahertz, zero frequency error, tunable optical comb generator for DWDM applications (2003)

We report on the experimental realization of a single comb generator based on phase modulation in an amplified fiber loop, which offers exact referencing to an arbitrary supplied reference frequency and a tunable comb-line spacing.
A hybrid zone between two subspecies of <i>Chorthippus parallelus</i>. X‐chromosome variation through a contact zone (1996)

Summary Two grasshopper subspecies, Chorthippus parallelus parallelus (Cpp) and Chorthippus parallelus erythropus (Cpe), meet along the Pyrenees where they hybridize and produce a hybrid zone. A contact zone located in the Col de Portalet has been analyzed for the distribution of chromosome markers on the sex (X) chromosome in pure and hybrid populations. C‐banding allowed us to distinguish both pure subspecific forms and recombinant forms, and to demonstrate their different frequencies through the contact zone. Interestingly, the distal C‐band (P) on the X chromosome that characterizes Cpp individuals occurs at very high frequency through the zone and then drops sharply, close to where pure Cpe populations are found. A novel interstitial C‐band (H) has been found, probably derived from that characterizing Cpe individuals (E). This marker band is only present in hybrid populations. These data are discussed in the light of the dynamics of the hybrid zone.
Dynamical Nuclei Measurement: On the Development and the Performance Evaluation of an Optimized Center-Body Meter (1997)

This work is concerned with the development of a center-body venturi for nuclei measurements of novel design, the Venturix. Our project aims to: 1. Define a specially tailored geometry for cavitation nuclei measurement. This design study takes into consideration the following main aspects: the venturi mean flow in subcavitating regime, the viscous effects, the bubble dynamics. 2. Evaluate the performance of the meter: After testing the proposed design concepts, the venturi operating characteristics, in particular its operational limits, are assessed. Finally, the performance of the acoustic method used for detecting and counting the active nuclei in the venturi is discussed.