gebhart/patrepeval huggingface dataset:
Emergence of Metallic Properties at LiFePO4 Surfaces and LiFePO4/Li2S Interfaces: An Ab Initio Study (2015)

The atomic and electronic structures of the LiFePO4 (LFP) surface, both bare and reconstructed upon possible oxygenation, are theoretically studied by ab initio methods. On the basis of total energy calculations, the atomic structure of the oxygenated surface is proposed, and the effect of surface reconstruction on the electronic properties of the surface is clarified. While bare LFP(010) surface is insulating, adsorption of oxygen leads to the emergence of semimetallic behavior by inducing the conducting states in the band gap of the system. The physical origin of these conducting states is investigated. We further demonstrate that deposition of Li2S layers on top of oxygenated LFP(010) surface leads to the formation of additional conducting hole states in the first layer of Li2S surface because of the charge transfer from sulfur p-states to the gap states of LFP surface. This demonstrates that oxygenated LFP surface not only provides conducting layers itself, but also induces conducting channels in the top layer of Li2S. These results help to achieve further understanding of potential role of LFP particles in improving the performance of Li-S batteries through emergent interface conductivity.
Development of Optimal Catalyst Designs and Operating Strategies for Lean NOx Reduction in Coupled LNT-SCR Systems (2013)

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO2) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx} is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O2. Catalytic abatement measures that are effective for gasoline-fueled engines such as the precious metal containing three-way catalytic converter (TWC) cannot be used to treat O2-laden exhaust containing NOx. Two catalytic technologies that have emerged as effective for NOx abatement are NOx storage and reduction (NSR) and selective catalytic reduction (SCR). NSR is similar to TWC but requires much larger quantities of expensive precious metals and sophisticated periodic switching operation, while SCR requires an on-board source of ammonia which serves as the chemical reductant of the NOx. The fact that NSR produces ammonia as a byproduct while SCR requires ammonia to work has led to interest in combining the two together to avoid the need for the cumbersome ammonia generation system. In this project a comprehensive study was carried out of the fundamental aspects and application feasibility of combined NSR/SCR. The project team, which included university, industry, and national lab researchers, investigated the kinetics and mechanistic features of the underlying chemistry in the lean NOx trap (LNT) wherein NSR was carried out, with particular focus on identifying the operating conditions such as temperature and catalytic properties which lead to the production of ammonia in the LNT. The performance features of SCR on both model and commercial catalysts focused on the synergy between the LNT and SCR converters in terms of utilizing the upstream-generated ammonia and alternative reductants such as propylene, representing the hydrocarbon component of diesel exhaust. First-principle models of the LNT and SCR converters, which utilized the mechanistic-based kinetics and realistic treatments of the flow and transport processes, in combination with bench-scale reactor experiments helped to identify the best designs for combining the NSR and SCR catalysts over a range of operating conditions encountered in practice. This included catalysts having multiple zones and layers and additives with the focus on determining the minimal precious metal component needed to meet emission abatement targets over a wide range of operating conditions. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective diesel emissions catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia.
Self-Training with Weak Supervision (2021)

Giannis Karamanolakis, Subhabrata Mukherjee, Guoqing Zheng, Ahmed Hassan Awadallah. Proceedings of the 2021 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies. 2021.
Short-Interval Series Pulsing—Experimental Studies and Numerical Experiments (1971)

The technique of short-interval series pulsing a thermal reactor has been studied experimentally using the University of Illinois TRIGA Reactor. Pulse repetition rates varying from 0.5 to 3.0 pulses/min were involved. These rates represent an order of magnitude decrease in time interval between pulses compared to previous TRIGA pulsing experience. It was found that the equilibrium pulse amplitudes are strongly affected by the pulse rod reactivity, the rod drop time, and the time interval between pulses; and in the experiments, each of these parameters was maintained at a fixed value during any given series. A unique method of analysis involving the reactor kinetics equations solved in temperature has been developed to study series pulsing. This analysis shows that a further improvement by a factor of 2 to 5 for present reactor and fuel designs can be expected with certain techniques that do not require major modifications to reactor geometry or fuel. These include changing the pulse rod reactivity values between pulses, changing the time interval between pulses, increasing the rod drop reactivity, and series pulsing from elevated powers.
Resolving multipath interference in Kinect: An inverse problem approach (2014)

Multipath interference (MPI) is one of the major sources of both depth and amplitude measurement errors in Time-of-Flight (ToF) cameras. This problem has seen a lot of attention recently. In this work, we discuss the MPI problem within the framework spectral estimation theory and multi-frequency measurements. As compared to previous approaches that consider up to two interfering paths, our model considers the general case of K-interfering paths. In the theoretical setting, we show that for the case of K-interfering paths of light, 2K + 1 frequency measurements suffice to recover the depth and amplitude values corresponding to each of the K optical paths. What singles out our method is the that our algorithm is non-iterative in implementation. This leads to a closed-form solution which is computationally attractive. Also, for the first time, we demonstrate the effectiveness of our model on an off-the-shelf Microsoft Kinect for the X-Box one.
Stable Helical Polyguanidines:  Poly{N-(1-anthryl)-N‘-[(R)- and/or (S)-3,7-dimethyloctyl]guanidines} (2004)

Using chiral catalysts of (R)- and/or (S)-BINOL-Ti, the asymmetrical polymerization of achiral monomer, N-(1-anthryl)-N'-n-octadecylcarbodiimide, yielded soluble nonregioregular polyguanidines of Poly-R1 and Poly-S1. A racemization process occurred when the toluene solution of Poly-R1 was annealed at elevated temperatures (70-80 degrees C). Kinetic studies reveal this to be a slow process with an activation energy of ca. 36 kcal/mol. On the other hand, using titanium(IV) trifluoroethoxide catalyst, the polymerization of N-(1-anthryl)-N'-[(R)- and/or (S)-3,7-dimethyloctyl]carbodiimides afforded highly regioregular polyguanidines of Poly-R2 and Poly-S2. These polymers adopt stable helices in various solvents and elevated temperatures, whose kinetically controlled conformations and thermodynamically controlled conformations are essentially the same.
Synthesis of an alleged constituent of New Brunswick cranberry leaves: the so-called cannivonine (1983)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis of an alleged constituent of New Brunswick cranberry leaves: the so-called cannivonineAlan P. Kozikowski and Richard J. SchmiesingCite this: J. Org. Chem. 1983, 48, 7, 1000–1007Publication Date (Print):April 1, 1983Publication History Published online1 May 2002Published inissue 1 April 1983https://pubs.acs.org/doi/10.1021/jo00155a014https://doi.org/10.1021/jo00155a014research-articleACS PublicationsRequest reuse permissionsArticle Views518Altmetric-Citations21LEARN 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
Interplay of an original combination of factors: C/EBP, NFY, HNF3, and HNF1 in the rat aldolase B gene promoter (1991)

The rat aldolase B 5' flanking region (nucleotides - 194 to +41) contains sufficient information for liver-specific expression. A detailed investigation of factors binding to the rat aldolase B 5' flanking region has allowed us to identify three distinct factors that filled different sites of this region (A, B, C). The liver-enriched C/EBP or related factors bind to box C, as demonstrated by the specific interaction with bacterially expressed C/EBP protein. Box B bearing the CCAAT sequence binds the ubiquitous factor NFY. Surprisingly, Box A is able to bind two liver enriched factors, namely HNF1 and HNF3. However, in the context of the intact promoter, as shown by footprinting competition experiments, HNF3 binds solely to this sequence. HNF3, but not HNF1 is a transcriptional activator as demonstrated in the in vitro transcription assay.
PB (Provider Bridges), PBB (Provider Backbone Bridges), and PBT (Provider Backbone Transport) (2012)

Carrier Ethernet is close to prove itself as an alternative technology for MEN in addition to enterprise networks. If Ethernet is ever going to be a credible wide area layer-2 network transport protocol, it needs to be able to transparently transport any of the major protocols used in a converged network. This capability is provided in IP through the use of pseudowires and MPLS. The provider backbone transport (PBT) is a group of enhancements to Ethernet that are defined in the IEEE (PBB-TE). This chapter describes 802.1AB and 802.1ah protocols and then PBT-TE. It describes 802.1AB architecture, LLDP protocol, and MIB. The PBB, namely, MAC-in-MAC encapsulation, is based on IEEE 802.1ah. The PBB supports complete isolation of individual client-addressing fields and isolation from address fields used in the operator backbone. Traffic-engineered provider backbone bridging (PBB-TE), PBT, is an Ethernet derivative intended to bring connection-oriented characteristics and deterministic behavior to Ethernet. Controlled Vocabulary Terms ethernet networks; media access protocol
Shawn, theDrosophilaHomolog of SLC25A39/40, Is a Mitochondrial Carrier That Promotes Neuronal Survival (2016)

We describe for the first time the role of the mitochondrial carrier Shawn/SLC25A39/SLC25A40 in the nervous system. In humans, these genes reside in susceptibility loci for epilepsy, and, in flies, we observe neuronal defects related to mitochondrial dysfunction and metal homeostasis defects. Interestingly, shawn mutants also harbor increased neurotransmitter release and neurodegeneration. Our data suggest a connection between maintaining a correct metal balance and mitochondrial function to regulate neuronal survival and neurotransmitter release.
Learning From Experience: An Automatic pH Neutralization System Using Hybrid Fuzzy System and Neural Network (2018)

In oil and gas industry, the pH level is one of the most important indicators of mud contamination while drilling. Although the process has simple components, the pH neutralization process is complicated in the mud circulation system. This difficulty is due to the high nonlinearity of the process. In this paper, the fuzzy neural network (FNN) is integrated to the fuzzy logic controller (FLC) to create a system which identifies pH fluctuation into a drilling mud system, assesses and signals its severity. And then, it automatically actuates a chemical treating fluids valve (CTFV), such as Caustic Soda (CS), for neutralizing the drilling fluid pH level while circulating. In this work, an integrated mud circulation lab-scaled system is used to mimic the pH neutralization (e.g., because of the H2S intrusion) while drilling the hydrogen sulfide bearing zones. The system contains several significant nonlinearities such as sudden pH reduction appearances that stretch the ability of simple controllers in achieving satisfactory performance. The results show, the FLC can be used successfully to stabilize any chosen operating point of the system and to deal with nonlinearities (uncertainties of a model). All derived results are validated by computer simulation of a nonlinear mathematical model of the lab-scaled mud neutralization system. The presented FNN in this work demonstrates a reliable response to neutralize the circulated drilling fluid pH, through a quick, safe, and automatic initiation of appropriate treatment.
Supplemental Figure S2 from Plasma KIM-1 Is Associated with Recurrence Risk after Nephrectomy for Localized Renal Cell Carcinoma: A Trial of the ECOG-ACRIN Research Group (E2805) (2023)

&lt;p&gt;Relationship between baseline KIM-1 and clinical/pathologic features&lt;/p&gt;
Statistics of multiphoton photoemission under coherent and non-classical illumination (2022)

We investigate experimentally how the photon statistics of light gets imprinted on multiphoton electron emission from needle tips. Coherent and bright squeezed vacuum light lead to entirely different electron statistics, matching with a quantum-optical analysis.
Supporting Cooperative Language Learning: Issues in Interface Design for an Interactive Table (2005)

Hydroxyl groups on the surface of metal oxide nanoparticles (nps) can be protonated or deprotonated depending on solution pH, changing both the magnitude and sign of the nps' surface charge. Binary mixtures of fumed metal oxide nps, dispersed in water at a solution pH where one species is positively charged and the other is negatively charged, form pseudosolid gels at volume fractions as low as 1.5 vol %. This work maps out regions of gel formation for binary mixtures of silica and alumina nps, silica and titania nps, and alumina and titania nps. The microscopic structure of these gels is investigated using transmission electron microscopy (TEM), small-angle x-ray scattering (SAXS), acoustic spectroscopy, and light microscopy.
Short-Term Akt Activation in Cardiac Muscle Cells Improves Contractile Function in Failing Hearts (2012)

Akt is a serine/threonine protein kinase that is activated by a variety of growth factors or cytokines in a phosphatidylinositol 3-kinase-dependent manner. By using a conditional transgenic system in which Akt signaling can be turned on or off in the adult heart, we previously showed that short-term Akt activation induces a physiological form of cardiac hypertrophy with enhanced coronary angiogenesis and maintained contractility. Here we tested the hypothesis that induction of physiological hypertrophy by short-term Akt activation might improve contractile function in failing hearts. When Akt signaling transiently was activated in murine hearts with impaired contractility, induced by pressure overload or doxorubicin treatment, contractile dysfunction was attenuated in both cases. Importantly, improvement of contractility was observed before the development of cardiac hypertrophy, indicating that Akt activation improves contractile function independently of its growth-promoting effects. To gain mechanistic insights into Akt-mediated positive inotropic effects, transcriptional profiles in the heart were determined in a pressure overload-induced heart failure model. Biological network analysis of differentially expressed transcripts revealed significant alterations in the expression of genes associated with cell death, and these alterations were reversed by short-term Akt activation. Thus, short-term Akt activation improves contractile function in failing hearts. This beneficial effect of Akt on contractility is hypertrophy-independent and may be mediated in part by inhibition of cell death associated with heart failure.
Primary and Cognitive User Cooperative Spectrum Sensing in OFDMA Air Interface (2010)

The cooperation among cognitive users (CUs) is considered as an efficient means to improve the primary user (PU) sensing in cognitive radio environment. Almost all previous related works employ the cooperation among CUs for PU activity detection whereas in this paper, the notions of cooperation among PUs and CUs are applied. This is achieved by allocating the available PU power among OFDMA subcarriers with two objectives 1. Guaranteed spectral efficiency to PU 2. Maximize detection of PU presence to a CU. The dynamic nature of channel parameters significantly improves the detection probability of CU with a minor reduction in PU's spectral efficiency. Analysis shows that a reduction of 5% spectral efficiency could be utilized to gain more than 15% in terms of the correct detection probability. The convexity of the formulated problem is analyzed. Finally, we propose deploying our scheme with CU collaborative sensing schemes to improve the detection probability in the low signal-to-noise ratio regions.
Forensic Analysis for Epidemic Attacks in (2006)

We present the design of a Network Forensic Alliance (NFA), to allow multiple administrative domains (ADs) to jointly locate the origin of epidemic spreading attacks. ADs in the NFA collaborate in a distributed protocol for post-mortem analysis of worm-like attacks. Information exchange between any two participating ADs is limited to traffic records that are k nown to both sides, maintaining the privacy of participants. Such an architecture is incentive-compatible - participants benefit by gaining better local investigative capabilities, even wit h partial deployment. Further, we show that by sharing local investigation results, ADs can achieve global investigative capabilitie s that are comparable to a centralized implementation with access to global traffic records. Our evaluation demonstrates that it is feas ible for large-scale attack investigation to be incrementally deployed in an Internet-like federation.
Non‐intrusive induction motor speed detection (2015)

This paper presents an algorithm that enables estimation of the speed of a single induction motor in an aggregate current signal supplying several motors from a common utility feed. This algorithm maintains accuracy of speed estimation while using shorter lengths of data, and can distinguish the activation of individual motors in the aggregate signal. The ability to separate and track distinct motor harmonics in an aggregate current signal opens the door to non‐intrusive energy scorekeeping and diagnostics for systems like air conditioning that operate under closed‐loop control. New experimental results demonstrate the approach for these air‐conditioning components in real buildings.
Induction of apoptosis of human B-CLL and ALL cells by a novel retinoid and its nonretinoidal analog (2002)

We have recently described a novel retinoid 6-[3-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylic acid (CD437/AHPN) that induces apoptosis in a number of malignant cell types. We now describe our studies examining the effects of CD437 and a nonretinoidal analog (MM002) on the in vitro proliferation of the ALL-REH cell line, the in vitro and in vivo growth of a novel Epstein-Barr virus-negative (EBV(-)) B-cell chronic lymphocytic leukemia (B-CLL) cell line (WSU-CLL), and primary cultures of human B-CLL and acute lymphoblastic leukemia (ALL) cells. CD437 and MM002 induce apoptosis in both cell lines, as indicated by the activation of caspase-2 and caspase-3, cleavage of poly(adenosine diphosphate-ribose) (poly(ADP-ribose)) polymerase, increase in annexin V binding, and subsequent nuclear fragmentation. CD437-mediated apoptosis was not associated with the modulation of Bcl-2, Bax, or Mcl-1 levels, but was associated with the cleavage of the antiapoptotic protein Bcl-X(L) to a proapoptotic 18-kD form. This cleavage of Bcl-X(L) was dependent on caspase-3 activation since Bcl-X(L) cleavage and apoptosis were inhibited by the caspase-3 inhibitor Z-DVED-fmk. CD437 markedly inhibited the growth of WSU-CLL cells in severe combined immunodeficiency (SCID) mice. Tumor growth inhibition, growth delay, and log cell kill were 85.7%, 21 days, and 2.1, respectively, in the treated mice. Moreover, 1 of the 5 treated mice was tumor-free longer than 150 days and thus was considered cured. Exposure of primary cultures of both B-CLL and ALL cells obtained from patients to CD437 and MM002 resulted in their apoptosis. These results suggest that CD437 and MM002 analogs may have a potential role in the treatment of B-CLL and ALL.
The TodS–TodT two-component regulatory system recognizes a wide range of effectors and works with DNA-bending proteins (2006)

The TodS and TodT proteins form a previously unrecognized and highly specific two-component regulatory system in which the TodS sensor protein contains two input domains, each of which are coupled to a histidine kinase domain. This system regulates the expression of the genes involved in the degradation of toluene, benzene, and ethylbenzene through the toluene dioxygenase pathway. In contrast to the narrow substrate range of this catabolic pathway, the TodS effector profile is broad. TodS has basal autophosphorylation activity in vitro, which is enhanced by the presence of effectors. Toluene binds to TodS with high affinity (Kd = 684 +/- 13 nM) and 1:1 stoichiometry. The analysis of the truncated variants of TodS reveals that toluene binds to the N-terminal input domain (Kd = 2.3 +/- 0.1 microM) but not to the C-terminal half. TodS transphosphorylates TodT, which binds to two highly similar DNA binding sites at base pairs -107 and -85 of the promoter. Integration host factor (IHF) plays a crucial role in the activation process and binds between the upstream TodT boxes and the -10 hexamer region. In an IHF-deficient background, expression from the tod promoter drops 8-fold. In vitro transcription assays confirmed the role determined in vivo for TodS, TodT, and IHF. A functional model is presented in which IHF favors the contact between the TodT activator, bound further upstream, and the alpha-subunit of RNA polymerase bound to the downstream promoter element. Once these contacts are established, the tod operon is efficiently transcribed.