gebhart/patrepeval huggingface dataset:
Structural, electronic, and optical properties of 9‐heterofluorenes: A quantum chemical study (2007)

Density-functional theory studies were applied to investigate the structural, electronic, and optical properties of 9-heterofluorenes achieved by substituting the carbon at 9 position of fluorene with silicon, germanium, nitrogen, phosphor, oxygen, sulfur, selenium, or boron. These heterofluorenes and their oligomers up to pentamers are highly aromatic and electrooptically active. The alkyl and aryl substituents of the heteroatom have limited influence, but the oxidation of the atom has significant influence on their molecular structures and properties. The highest occupied molecular orbital (HOMO)-lowest occupied molecular orbital (LUMO) interaction theory was successfully applied to analyze the energy levels and the frontier wave functions of these heterofluorenes. Most heterofluorenes belong to type B of interaction with low-lying LUMO and have the second kind of wave function. Carbazole and selenafluorene have type C of interaction with high-lying HOMO and the third kind of wave function. Types C and D of heterofluorenes, such as carbazole, oxygafluorene, sulfurafluorene, and selenafluorene also have high triplet state energies. The extrapolated HOMO and LUMO for polyheterofluorenes indicate that polyselenonafluorene has the lowest LUMO; polycarbazole has the highest HOMO; polyselenafluorene has the highest bandgap (E(g)); and polyborafluorene has the lowest E(g). Heterofluorenes and their oligomers and polymers are of great experimental interests, especially those having extraordinary properties revealed in this study.
Principles of Worship and Liturgy (2009)

Scripture, Culture, Worship, and LiturgyBelievers arrive at their conceptions of worship in different ways.And Adventists frequently copy their worship styles from other Protestant denominations as if they could do no harm.The various worship styles currently available should be analyzed to decide whether each new style of liturgy is grounded on scriptural thinking.Adventists need to understand the role that culture plays in the liturgical styles that are being copied from other Christian denominations.The Oxford Dictionary defines worship as "the feeling or expression of reverence and adoration for a deity," 2 and liturgy as "a form or formulary according to which public religious worship, especially Christian worship, is conducted." 3In other words, while worship refers to an internal state of human consciousness, liturgy designates objective forms and rituals, external to human consciousness.In short, worship is an internal experience that takes place in human beings.Liturgy consists of the external forms and rituals believers use in their worship ceremonies.From this distinction, it follows that much of the discussion about worship in Adventism is a quarrel over liturgy and rituals.Confusing worship with liturgy obscures the deep spiritual issue of worshiping God.Worship should not be equated with liturgy and rituals.Instead, worship should be understood for what it is and how it connects to the formalities of liturgy.Participants in church rituals usually think more about how the rituals make them feel than about how they originated.Subjective personal enjoyment and pastoral success in attracting believers to worship services, however, are not reliable criteria to judge the appropriateness of rituals in public worship.Adventists may be inclined to assume they draw their rituals from Scripture.Clearly, baptism and Holy Communion originate in Scripture.Yet, other things Adventists do in public worship, such as the hymns they sing, cannot be traced to a biblical text.Thus, culture plays
韩剧《Good Doctor》：好男主让人心动，更好的男主让人心疼 (2013)

一大波特异功能韩剧正在袭来。《听见你的声音》里刚玩了一把读心术，接着《主君的太阳》又见鬼又展示阅读障碍症，伪言情真鬼片；{WhoAreY0u》则是以亡灵回忆名义的虚假刑侦剧，至于《Good Doctor），则隆重推出具萌宠级杀伤力的学者综合症。好像男生没点冷僻病状都不好意思说自己是男主，而女生要不是女汉子，也一样都不好意思说自己是女主。
A general route for synthesis of N-aryl phenoxazines via copper(<scp>i</scp>)-catalyzed N-, N-, and O-arylations of 2-aminophenols (2014)

A novel copper(<sc>i</sc>)-catalyzed tandem reaction of<italic>N</italic>- and<italic>O</italic>-arylations was developed and a general route for synthesis of<italic>N</italic>-aryl phenoxazines<italic>via</italic>copper-catalyzed<italic>N</italic>-,<italic>N</italic>-, and<italic>O</italic>-arylations of 2-aminophenols was established.
Basic mechanisms of myocardial dysfunction (1994)

The cellular pathophysiology of myocardial dysfunction in heart failure is multifactorial. Studies of animal models and myocardium from patients with heart failure have demonstrated abnormalities of cytosolic calcium handling, myofilament calcium sensitivity, and myocyte energetics. Many of these metabolic abnormalities have been shown to be the result of alterations in the activity or number of myocyte enzymes and transport channels that are important in excitation-contraction coupling. Several innovative techniques for measuring intracellular calcium and energy metabolites and recent advances in cell biology have helped to further our understanding of the cellular pathophysiology of heart failure. Abnormalities at several levels of the excitation-contraction coupling mechanism have been shown to be responsible for both systolic and diastolic dysfunction in the failing heart.
Recent Progress on Zinc-Ion Rechargeable Batteries (2019)

The increasing demands for environmentally friendly grid-scale electric energy storage devices with high energy density and low cost have stimulated the rapid development of various energy storage systems, due to the environmental pollution and energy crisis caused by traditional energy storage technologies. As one of the new and most promising alternative energy storage technologies, zinc-ion rechargeable batteries have recently received much attention owing to their high abundance of zinc in natural resources, intrinsic safety, and cost effectiveness, when compared with the popular, but unsafe and expensive lithium-ion batteries. In particular, the use of mild aqueous electrolytes in zinc-ion batteries (ZIBs) demonstrates high potential for portable electronic applications and large-scale energy storage systems. Moreover, the development of superior electrolyte operating at either high temperature or subzero condition is crucial for practical applications of ZIBs in harsh environments, such as aerospace, airplanes, or submarines. However, there are still many existing challenges that need to be resolved. This paper presents a timely review on recent progresses and challenges in various cathode materials and electrolytes (aqueous, organic, and solid-state electrolytes) in ZIBs. Design and synthesis of zinc-based anode materials and separators are also briefly discussed.
A survivability admission control mechanism for ATM networks (2002)

This paper presents a dynamic virtual path (VP) survivability admission control mechanism for survivable ATM networks. This scheme integrates the dynamics of demand admission and logical spare capacity assignment for maximizing network resource utilization ratio while ensuring full traffic restorability under any single link failure scenario. The simulation results show that this mechanism is very effective.
Learning Bandwidth Expansion Using Perceptually-motivated Loss (2019)

We introduce a perceptually motivated approach to bandwidth expansion for speech. Our method pairs a new 3-way split variant of the FFTNet neural vocoder structure with a perceptual loss function, combining objectives from both the time and frequency domains. Mean opinion score tests show that it outperforms baseline methods from both domains, even for extreme bandwidth expansion.
Photorefractive Properties Of Undoped, Cerium-Doped, And Iron-Doped Single-Crystal SrO.6BaO.4Nb2O6 (1986)

We present the results of our theoretical and experimental studies of the photorefractive effect in single-crystal SBN:60, SBN:Ce, and SBN:Fe. The two-beam coupling coefficients, response times, and absorption coefficients of these materials are given.
Enhancer profiling identifies critical cancer genes and characterizes cell identity in adult T-cell leukemia (2017)

A number of studies have recently demonstrated that super-enhancers, which are large cluster of enhancers typically marked by a high level of acetylation of histone H3 lysine 27 and mediator bindings, are frequently associated with genes that control and define cell identity during normal development. Super-enhancers are also often enriched at cancer genes in various malignancies. The identification of such enhancers would pinpoint critical factors that directly contribute to pathogenesis. In this study, we performed enhancer profiling using primary leukemia samples from adult T-cell leukemia/lymphoma (ATL), which is a genetically heterogeneous intractable cancer. Super-enhancers were enriched at genes involved in the T-cell activation pathway, including <i>IL2RA/CD25, CD30</i>, and <i>FYN,</i> in both ATL and normal mature T cells, which reflected the origin of the leukemic cells. Super-enhancers were found at several known cancer gene loci, including <i>CCR4</i><i>, PIK3R1</i>, and <i>TP73</i>, in multiple ATL samples, but not in normal mature T cells, which implicated those genes in ATL pathogenesis. A small-molecule CDK7 inhibitor, THZ1, efficiently inhibited cell growth, induced apoptosis, and downregulated the expression of super-enhancer-associated genes in ATL cells. Furthermore, enhancer profiling combined with gene expression analysis identified a previously uncharacterized gene, <i>TIAM2</i>, that was associated with super-enhancers in all ATL samples, but not in normal T cells. Knockdown of <i>TIAM2</i> induced apoptosis in ATL cell lines, whereas overexpression of this gene promoted cell growth. Our study provides a novel strategy for identifying critical cancer genes.
miR-199a-5p Silencing Regulates the Unfolded Protein Response in Chronic Obstructive Pulmonary Disease and α1-Antitrypsin Deficiency (2013)

miR-199a-5p is a key regulator of the unfolded protein response in AAT-deficient monocytes, and epigenetic silencing of its expression regulates this process in chronic obstructive pulmonary disease.
Cross-ligation and exchange reactions catalyzed by hairpin ribozymes (1993)

The negative strand of the satellite RNA of tobacco ringspot virus (sTobRV(-)) contains a hairpin catalytic domain that shows self-cleavage and self-ligation activities in the presence of magnesium ions. We describe here that the minimal catalytic domain can catalyze a cross-ligation reaction between two kinds of substrates in trans. The cross-ligated product increased when the reaction temperature was decreased during the reaction from 37 degrees C to 4 degrees C. A two-stranded hairpin ribozyme, divided into two fragments between G45 and U46 in a hairpin loop, showed higher ligation activity than the nondivided ribozyme. The two stranded ribozyme also catalyzed an exchange reaction of the 3'-portion of the cleavage site.
Intermediacy of 3’,4’-Dehydrovinblastine in the Biosynthesis of Vinblastine-Type Alkaloids (1978)

Cell free extracts from Catharanthus :plants have been used to demonstrate the formation of 3',4'-dehydrovinblastine and leurosine from radiolabelled catharanthine and vindoline. 3',4'-Dehydrovinblastine has been establishedas a precursor to the vinblastine group of alkaloids and a biosynthetic pathway is proposed.
Natural flocculants from fresh and saline wastewater: Comparative properties and flocculation performances (2018)

Natural flocculants, due to their eco-friendliness, have gained increasing attention for (waste) water treatment and are promising alternatives to oil-based synthetic flocculants. We systematically investigated simultaneous industrial wastewater treatment with the production of microbial extracellular polymeric substances (EPS) as natural flocculants. EPS were produced in two membrane bioreactors, respectively treating fresh and saline synthetic wastewater from biodiesel and (bio)ethanol industries. From each reactor, soluble and bound EPS fractions were extracted, purified and characterised for their functionalities, molecular weights and charge densities using Fourier transform infrared (FTIR), size exclusion chromatography and colloid titration, respectively. High removal of chemical oxygen demand (COD) was achieved in both reactors (93–95%), with 5.8–7.6% of the inlet COD recovered as EPS. FTIR spectroscopy reveals these EPS as a mixture of proteins and polysaccharides, possessing carboxyl, hydroxyl and amine groups. These functional groups, which provided a net anionic charge density (1.5–2.9 meq/g at neutral pH), coupled with EPS mixed molecular weight (MW) distribution: high (>1000 kDa), medium (1000–100 kDa) and low (<100 kDa) MW fractions, make them promising flocculants. Extracted EPS showed good flocculation of non-saline kaolin suspension (74–89% turbidity reduction) and excellent flocculation of saline kaolin suspension (88–97%), performances comparable to anionic polyacrylamide. The results show the possibility for wastewater treatment plants to combine wastewater treatment with the production of valuable flocculants.
Up or Down? Adaptive Rounding for Post-Training Quantization (2020)

When quantizing neural networks, assigning each floating-point weight to its nearest fixed-point value is the predominant approach. We find that, perhaps surprisingly, this is not the best we can do. In this paper, we propose AdaRound, a better weight-rounding mechanism for post-training quantization that adapts to the data and the task loss. AdaRound is fast, does not require fine-tuning of the network, and only uses a small amount of unlabelled data. We start by theoretically analyzing the rounding problem for a pre-trained neural network. By approximating the task loss with a Taylor series expansion, the rounding task is posed as a quadratic unconstrained binary optimization problem. We simplify this to a layer-wise local loss and propose to optimize this loss with a soft relaxation. AdaRound not only outperforms rounding-to-nearest by a significant margin but also establishes a new state-of-the-art for post-training quantization on several networks and tasks. Without fine-tuning, we can quantize the weights of Resnet18 and Resnet50 to 4 bits while staying within an accuracy loss of 1%.
The breast cancer tumor suppressor BRCA2 promotes the specific targeting of RAD51 to single-stranded DNA (2020)

Individuals with BRCA2 mutations are predisposed to breast cancers owing to genome instability. To determine the functions of BRCA 2, the human protein was purified. It was found to bind selectively to single-stranded DNA (ssDNA), and to ssDNA in tailed duplexes and replication fork structures. Monomeric and dimeric forms of BRCA 2 were observed by EM. BRCA 2 directed the binding of RA D51 recombinase to ssDNA, reduced the binding of RA D51 to duplex DNA and stimulated RA D51-mediated DNA strand exchange. These observations provide a molecular basis for the role of BRCA 2 in the maintenance of genome stability.
Telechelic star poly(dimethylsiloxane)s of highly defined structure (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTelechelic star poly(dimethylsiloxane)s of highly defined structureWilliam H. Dickstein and C. Peter LillyaCite this: Macromolecules 1989, 22, 10, 3886–3888Publication Date (Print):October 1, 1989Publication History Published online1 May 2002Published inissue 1 October 1989https://pubs.acs.org/doi/10.1021/ma00200a012https://doi.org/10.1021/ma00200a012research-articleACS PublicationsRequest reuse permissionsArticle Views156Altmetric-Citations11LEARN 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
Aeroacoustics of Drag-Generating Swirling Exhaust Flows (2010)

Aircraft on approach in high-drag and high-lift configuration create unsteady flow structures which inherently generate noise. For devices such as flaps, spoilers and the undercarriage there is a strong correlation between overall noise and drag such that, in the quest for quieter aircraft, one challenge is to generate drag at low noise levels. This paper presents a rigorous aero-acoustic assessment of a novel drag concept. The idea is that a swirling exhaust flow can yield a steady, and thus relatively quiet, streamwise vortex which is supported by a radial pressure gradient responsible for pressure drag. Flows with swirl are naturally limited by instabilities such as vortex breakdown. The paper presents a first aero-acoustic assessment of ram pressure driven swirling exhaust flows and their associated instabilities. The technical approach combines an in-depth aerodynamic analysis, plausibility arguments to qualitatively describe the nature of acoustic sources, and detailed, quantitative acoustic measurements using a medium aperture directional microphone array in combination with a previously established Deconvolution Approach for Mapping of Acoustic Sources (DAMAS). A model scale engine nacelle with stationary swirl vanes was designed and tested in the NASA Langley Quiet Flow Facility at a full-scale approach Mach number of 0.17. The analysis shows that the acoustic signature is comprised of quadrupole-type turbulent mixing noise of the swirling core flow and scattering noise from vane boundary layers and turbulent eddies of the burst vortex structure near sharp edges. The exposed edges are the nacelle and pylon trailing edge and the centerbody supporting the vanes. For the highest stable swirl angle setting a nacelle area based drag coefficient of 0.8 was achieved with a full-scale Overall Sound Pressure Level (OASPL) of about 40dBA at the ICAO approach certification point.
Increased Pulmonary Superinfections in Cardiac-Transplant Patients Undergoing Primary Cytomegalovirus Infection (1978)

CYTOMEGALOVIRUS infection is extremely common after renal transplantation, with evidence of infection in as many as 90 per cent1 to 96 per cent2 of patients. Although many recipients excrete the virus in their urine or saliva for months or years with no other evidence of disease, others have a relatively fulminant but variable syndrome of pneumonitis, fever, leukopenia and hepatitis.2 3 4 5 6 7 8 9 At autopsy or lung biopsy, many transplant patients with pulmonary infiltrates have had both cytomegalovirus and concomitant bacterial pneumonia5 , 6 , 9 10 11 or pneumocystis.12 , 13 Thus, the exact pathogenic importance of cytomegalovirus is not fully clear.Recently, Hamilton et al. have shown a striking . . .
Rediscovering workflow models from event-based data (2001)

Contemporary workflow management systems are driven by explicit process models, i.e., a completely specified workflow design is required in order to enact a given workflow process. Creating a workflow design is a complicated time-consuming process and typically there are discrepancies between the actual workflow processes and the processes as perceived by the management. Therefore, we propose a technique for rediscovering workflow models. This technique uses workflow logs to discover the workflow process as it is actually being executed. The workflow log contains information about events taking place. We assume that these events are totally ordered and each event refers to one task being executed for a single case. This information can easily be extracted from transactional information systems (e.g., Enterprise Resource Planning systems such as SAP and Baan). The rediscovering technique proposed in this paper can deal with noise and can also be used to validate workflow processes by uncovering and measuring the discrepancies between prescriptive models and actual process executions.
Real-time reasoning: the monitoring and control of spacecraft systems (2002)

Research concerned with automating the monitoring and control of spacecraft systems is discussed. In particular, the application the procedural reasoning system (PRS) to the handling of malfunctions in the reaction control system (RCS) of NASAs space shuttle is studied. Unlike traditional monitoring and control systems, PRS is able to reason about and perform complex tasks in a very flexible and robust manner, somewhat in the manner of a human assistant. using various RCS malfunctions as examples (including sensor faults, leaking components, multiple alarms, and regulator and jet failures), it is shown how PRS manages to combine both goal-directed reasoning and the ability to react rapidly to unanticipated changes in its environment. Some important issues in the design of PRS are reviewed, and future enhancements are indicated.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
A novel tridentate coordination mode for the carbonatonickel system exhibited in an unusual hexanuclear nickel(ii) μ3-carbonato-bridged complex (2009)

The fixation of CO(2) at ambient temperature has been achieved by the reaction of Ni(cod)(2) and TMEDA in CO(2) saturated THF that yields a novel hexanuclear nickel(II) mu(3)-carbonato bridged complex [Ni(6)(mu(3)-CO(3))(4)(TMEDA)(6)(H(2)O)(12)](OH)(4) in 59% yield. The complex was characterised by MS analysis and the structure corroborated by single-crystal X-ray crystallography. The complex exhibits a rare carbonato binding mode for Ni(II) complexes and moderately strong antiferromagnetic interactions.
An unusual high-spin ground state of Co<sup>3+</sup> in octahedral coordination in brownmillerite-type cobalt oxide (2015)

The crystal and magnetic structures of brownmillerite-like Sr(2)Co(1.2)Ga(0.8)O(5) with a stable Co(3+) oxidation state at both octahedral and tetrahedral sites are refined using neutron powder diffraction data collected at 2 K (S.G. Icmm, a = 5.6148(6) Å, b = 15.702(2) Å, c = 5.4543(6) Å; R(wp) = 0.0339, R(p) = 0.0443, χ(2) = 0.775). The very large tetragonal distortion of CoO(6) octahedra (1.9591(4) Å for Co-O(eq) and 2.257(6) Å for Co-O(ax)) could be beneficial for the stabilization of the long-sought intermediate-spin state of Co(3+) in perovskite-type oxides. However, the large magnetic moment of octahedral Co(3+) (3.82(7)μ(B)) indicates the conventional high-spin state of Co(3+) ions, which is further supported by the results of a combined theoretical and experimental soft X-ray absorption spectroscopy study at the Co-L(2,3) edges on Sr(2)Co(1.2)Ga(0.8)O(5). A high-spin ground state of Co(3+) in Sr(2)Co(1.2)Ga(0.8)O(5) resulted in much lower in comparison with a LaCoO(3) linear thermal expansion coefficient of 13.1 ppm K(-1) (298-1073 K) determined from high-temperature X-ray powder diffraction data collected in air.