gebhart/patrepeval huggingface dataset:
Hysteresis Index: A Figure without Merit for Quantifying Hysteresis in Perovskite Solar Cells (2018)

Not long after the breakthrough publications on lead halide perovskite-based solar cells, researchers noticed something peculiar about these devices: the current-voltage scans, the most common technique to determine a solar cell's efficiency, yielded different results depending on the scan direction. In the very first swathe of publications, researchers neglected discussing this observation, opting to simply publish the scan that yielded the higher efficiency. However, this was untenable as this scan-direction dependence clearly indicated that the absorber system was undergoing a transient change due to the external bias, and as such, the scanned measurements were yielding non-steady-state values. Unger et al.(1) and Snaith et al.(2) proposed two approaches to remedy this issue, both of which sought to take the unknown, internal changes of the material into account by devising steady-state measurements. This was done by either significantly slowing down the scan rate, such that the system was allowed to reach steady state at each point of the scan, or by measuring the stabilized or steady-state photocurrent at the maximum power point voltage. The advantage of the former technique is that performance parameters such as the short-circuit current (Jsc), open-circuit voltage (Voc), fill factor (FF), and series resistance can be determined with high fidelity. The latter has the advantages of being much faster to perform, allowing for rapid estimation of the performance of a multitude of cells, and enabling approximation of the solar cell performance under actual operating conditions. The community largely acknowledged and debated the phenomenon of hysteresis, but only slowly took up either of the two recommendations.
Polyelectrolyte Titration: Theory and Experiment (2000)

Titration of methacrylic acid / ethyl-acrylate copolymers is studied experimentally and theoretically. At low salt concentrations, this polyacid exhibits a plateau in the titration curve below the neutralization point. The plateau has been often attributed to a first-order phase transition associated with polymer conformational changes. We argue that the specific shape of titration curves of hydrophobic polyelectrolytes is due to electrostatics and does not necessarily require a conformation change of the polyelectrolyte chains. We calculate the free energy at the mean-field level and its first-order (one loop) correction using a loop expansion. The latter is dominated by Debye-Huckel--like charge-charge correlations as well as by correlations between dissociation sites along the polymer chain. We show that the one-loop corrections to the free energy lead to titration curves that agree with experiments. In particular, the model explains the decrease of the pH at the plateau when the polymer concentration is increased or when salt is added to the solution.
Side-viewing endoscope for diagnosis of bleeding from a duodenal diverticulum (1995)

The majority of duodenal diverticula are asymptomatic and seldom cause gastrointestinal hemorrhage. We observed a 58-year-old woman who presented with melena. On admission her vital signs were stable and hematocrit was 27.5 %. Emergency upper endoscopy using a forward-viewing endoscope (Olympus XQ 20, Olympus America Inc., Lake Success, N.Y.) was performed but there was no evidence of bleeding. Conservative treatment was initiated and her condition remained stable until she had a maroon stool the next morning. Upper endoscopy using the same endoscope was repeated but there was no evidence of bleeding again. Angiography also failed to demonstrate extravasation. Duodenoscopy using a side-viewing endoscope (Olympus JF 1T-20) revealed a diverticulum in the beginning of the third portion with a blood clot at the base. After irrigation, a red protuberance with a glistening surface was observed, and heater-probe therapy was applied to this area. Unfortunately, this application provoked further bleeding and the patient required an emergency laparotomy. Following duodenotomy, she was treated with diverticuloplasty. Recovery was uneventful. Duodenal diverticulum is a rare source of gastrointestinal bleeding and when it occurs it is difficult to diagnose. Usually the diagnosis is considered by exclusion of other bleeding sources and repeated examinations may be necessary. Endoscopic verification of bleeding duodenal diverticula and endoscopic management with injection therapy have been reported previously. 13 Duodenoscopy with a side-viewing endoscope is recommended, as in our case.
Tris[dicarbonyl(η‐cyclopentadienyl)ferrio]stiban — eine 5B‐Elementbase mit totaler Übergangsmetallsubstitution (1976)

Ein Stiban, das gänzlich mit Übergangsmetallen substituiert ist , ließ sich erstmals so synthetisieren, daß der übliche Bindungstyp vorliegt. Das Produkt ( 1 ) ist thermisch überraschend stabil. Es addiert sich an Komplexfragmente des Typs M(CO) 5 unter Bildung von ( 2 ). magnified image
Not Only Antimicrobial: Metronidazole Mitigates the Virulence of Proteus mirabilis Isolated from Macerated Diabetic Foot Ulcer (2021)

Diabetic foot ulcers are recognized to be a severe complication of diabetes, increasing the risk of amputation and death. The bacterial infection of Diabetic foot ulcers with virulent and resistant bacteria as Proteus mirabilis greatly worsens the wound and may not be treated with conventional therapeutics. Developing new approaches to target bacterial virulence can be helpful to conquer such infections. In the current work, we evaluated the anti-virulence activities of the widely used antibacterial metronidazole. The minimum inhibitory concentrations (MIC) and minimum biofilm eradication concentrations (MEBC) were determined for selected antibiotics which P. mirabilis was resistant to them in the presence and absence of metronidazole in sub-MIC. The effect of metronidazole in sub-MIC on P. mirabilis virulence factors as production of exoenzymes, motilities, adhesion and biofilm formation, were evaluated. Furthermore, molecular docking of metronidazole into P. mirabilis adhesion and essential quorum sensing (QS) proteins, was performed. The results revealed a significant ability of metronidazole to in-vitro inhibit P. mirabilis virulence factors and antagonize its essential proteins. Moreover, metronidazole markedly decreased the MICs and MBECs of tested antibiotics. Conclusively, metronidazole in sub-MIC is a plausible anti-virulence and anti-QS agent that can be combined to other antibiotics as anti-virulence adjuvant to defeat aggressive infections.
IMPULSE (2011)

The purpose of this study is to reduce the difficulties encountered when designing multi-agent systems (MAS). Although MAS are one of the more effective approaches for dealing with the recent increase in software complexity, they are themselves difficult to develop. We believe the difficulties in determining agent responsibilities and the organizational structure as the most significant obstacles to MAS development. In this paper, we propose a design framework for MAS, which includes restriction rules in the goal-oriented requirements description and a generator that transforms the restricted requirements description into a general MAS design model. We demonstrate the effectiveness of our framework through a case study and show how the framework can be used to construct MAS design models more precisely than conventional methods permit.
Vibrational spectra and structures of the 1:1 complexes of niobium and tantalum, pentachlorides and tantalum pentabromide with aceto-, perdeuterioaceto-, and propio-nitriles in the solid and solution states and a vibrational analysis of the species MX5,NC·CY3(Y = H or D) (1970)

The low-frequency i.r. and Raman spectra of the title compounds are shown to be essentially identical in the solid state and in solution in acetonitrile. The vibrational spectra taken in conjunction with conductivity and molecularweight data, provide conclusive evidence that they are all monomolecular and may be formulated as MX5,RCN. The vibrational assignments are supported by normal co-ordinate calculations for a C4v model MX5,NC·CY3, where free rotation of the CY3 group (Y = H or D) is assumed.
Exploring protein hotspots by optimized fragment pharmacophores (2021)

Fragment-based drug design has introduced a bottom-up process for drug development, with improved sampling of chemical space and increased effectiveness in early drug discovery. Here, we combine the use of pharmacophores, the most general concept of representing drug-target interactions with the theory of protein hotspots, to develop a design protocol for fragment libraries. The SpotXplorer approach compiles small fragment libraries that maximize the coverage of experimentally confirmed binding pharmacophores at the most preferred hotspots. The efficiency of this approach is demonstrated with a pilot library of 96 fragment-sized compounds (SpotXplorer0) that is validated on popular target classes and emerging drug targets. Biochemical screening against a set of GPCRs and proteases retrieves compounds containing an average of 70% of known pharmacophores for these targets. More importantly, SpotXplorer0 screening identifies confirmed hits against recently established challenging targets such as the histone methyltransferase SETD2, the main protease (3CLPro) and the NSP3 macrodomain of SARS-CoV-2.
High-temperature stable spin-on carbon materials for advanced pattern transfer applications (2022)

In recent years a strong demand has arisen for spin-on carbon (SOC) materials compatible with high-temperature processes. This requirement is to enable usage of high-temperature SOC (HTSOC) materials in integration schemes utilizing chemical vapor deposition (CVD) and/or atomic layer deposition (ALD) processes. In addition to compatibility with the high-temperature deposition processes, planarization requirements and/or chemical-mechanical polishing compatibility are often critical. To answer these new challenging requirements, we have developed a family of HTSOC materials that fulfills these critical needs. In this paper we present a successful development of pattern transfer process using our HTSOC with EUV lithography. We also present the capability of the HTSOC to be used as a mandrel in self-aligned double patterning (SADP) utilizing high-temperature CVD deposition of the spacer. The properties of the next-generation HTSOC materials that enable these processes will be discussed in detail and compared to previous HTSOCs material, conventional low-temperature SOCs, as well as amorphous carbon (aC).
Toxicity of organic selenium in the diet to chinook salmon (1990)

Abstract The toxicity of two organoselenium diets was evaluated in 90- to 120-d partial life cycle tests with two life stages of chinook salmon (Oncorhynchus tshawytscha Walbaum). One of the diets contained fish meal made from high-selenium mosquitofish (Gambusia affinis Baird and Girard) collected from the selenium-laden San Luis Drain, California (here termed SLD diet) and the other contained meal made from low-selenium mosquitofish (collected from a reference site) fortified with selenomethionine. A 90-d study was conducted with swim-up larvae in a water-simulating dilution of San Luis Drain water in a standardized fresh water; and a 120-d study was conducted with fingerlings 70-mm long in a water of similar quality but prepared with a standardized brackish water. After 90 d of exposure in the freshwater study, survival was reduced in fish fed ≥9.6 μg Se/g of either diet, and growth was reduced in fish fed ≥5.3 μg Se/g of SLD diet or ≥18.2 μg Se/g of selenomethionine diet. Reduced fish growth, whole-body concentrations of selenium and survival were strongly correlated to concentrations of selenium in both diets. After 120 d of exposure in the brackish-water study, survival was unaffected but growth was reduced in fish fed ≥18.2 μg Se/g of SLD diet or 35.4 μg Se/g of selenomethionine diet. After 120 d of dietary exposure, survival during a 10-d seawater challenge test was reduced in fish fed 35.4 μg Se/g of either diet. In this second dietary study, concentration—response relations were observed in both dietary treatments between the dietary concentrations of selenium and all three characteristics — fish growth, whole-body concentrations of selenium and survival in seawater.
1 alpha,25-dihydroxyvitamin D3 promotes fusion of mouse alveolar macrophages both by a direct mechanism and by a spleen cell-mediated indirect mechanism. (1983)

Extensive fusion was induced in mouse alveolar macrophages by treatment with conditioned media obtained from spleen cell cultures treated with 15 micrograms of phytohemagglutinin or concanavalin A per ml or with 12 nM 1 alpha,25-dihydroxyvitamin D3 [1 alpha,25(OH)2D3]. The fusion rate was 80-90% on day 3. In addition, 1 alpha,25(OH)2D3 added directly to alveolar macrophages induced fusion of about 35% of the cells on day 3, whereas direct addition of phytohemagglutinin and concanavalin A did not enhance fusion at all. When conditioned media from spleen cell or T cell cultures treated with 12 nM 1 alpha,25(OH)2D3 were applied to a Sephadex G-100 column, a fusion factor (Mr 37,000-70,000) could be separated from 1 alpha,25(OH)2D3. 1 alpha,25(OH)2D3 induced fusion at 0.012-120 nM in a dose-dependent manner both by direct action and by spleen cell-mediated indirect action, but the fusion rate was always much greater in the latter than in the former at each concentration of the vitamin. Of the vitamin D3 derivatives tested, 1 alpha,25(OH)2D3 was the most potent, followed successively by 1 alpha,24R,25-trihydroxyvitamin D3, 1 alpha-hydroxyvitamin D3, 25-hydroxyvitamin D3, and 24R,25-dihydroxyvitamin D3. These results clearly indicate that 1 alpha,25(OH)2D3 induces fusion of mouse alveolar macrophages by both a direct and an indirect mechanism, the latter mediated by spleen cells, probably by T cells.
Using AI/ML to gain situational understanding from passive network observations (2019)

The data available in the network traffic fromany Government building contains a significant amount ofinformation. An analysis of the traffic can yield insightsand situational understanding about what is happening inthe building. However, the use of traditional network packet inspection, either deep or shallow, is useful for only a limited understanding of the environment, with applicability limited to some aspects of network and security management. If weuse AI/ML based techniques to understand the network traffic, we can gain significant insights which increase our situational awareness of what is happening in the environment.At IBM, we have created a system which uses a combination of network domain knowledge and machine learning techniques to convert network traffic into actionable insights about the on premise environment. These insights include characterization of the communicating devices, discovering unauthorized devices that may violate policy requirements, identifying hidden components and vulnerability points, detecting leakage of sensitive information, and identifying the presence of people and devices.In this paper, we will describe the overall design of this system, the major use-cases that have been identified for it, and the lessons learnt when deploying this system for some of those use-cases
An Analysis of TDoA Effect for OFDMA-Based Wireless Mesh Networks (2011)

In this paper, the effect of time difference of arrival (TDoA) is investigated for distributed nodes in OFDMA-based wireless mesh networks (WMNs). In order to minimize the interferences caused by TDoA in WMNs, the optimal starting point of the FFT window at the receiver side of a node is derived by maximizing the effective SINR for each subcarrier. Also, a signal detection technique, called two dimensional ordered successive interference cancellation (TD-OSIC), is proposed for WMNs with TDoAs. It was shown via simulation that the proposed technique can achieve effective SINR and BER performances similar to the ideal case (no TDoA), even in WMNs with large TDoAs.
Reduced expression of inflammation regulatory proteins, ETS‐1 and TNIP‐1, may cause lupus in humans (2019)

Systemic Lupus Erythematosus is a painfully crippling autoimmune disorder whereby its victims suffer from chronic inflammation, and an increased susceptibility to kidney failure if left untreated. The illness can in part be triggered by a number of known environmental factors including ultraviolet light but its genetic roots remain unclear. Identifying the causal risk alleles would greatly aide in earlier detection and the administration of effective immunotherapies as well as a longer life for the lupus sufferer. Suspected risk alleles for genes, ETS‐1 and TNIP‐1, normally associated with regulating inflammation, were tested for allelic expression imbalance. Leukocytes were isolated from middle age females, of Asian descent who were heterozygous for either suspected gene. After cells were isolated from differential centrifugation, total RNA was collected, cDNA synthesized, and a Taqman quantitative PCR assay performed in order to detect reduced levels of expression for either gene. Neither B cells nor T cells showed Ct values (Ct ≥ 1 or 2x difference in mRNA) outside the standard deviation range in comparison to negative controls. Adjustments to the current procedure to enrich for a larger, more stable population of total RNA, leading to more reliable qPCR results, are needed to corroborate a role for these two risk alleles in the cause of this devastating disease. Support or Funding Information This research was funded by the American Physiology Society and hosted by Dr. S. Malkiel and Dr. B. Diamond at The Feinstein Institute, Manhasset, NY. This abstract is from the Experimental Biology 2019 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .
Asymmetric Hydrogenation of Heteroaromatic Compounds Mediated by Iridium−(P-OP) Complexes (2010)

A library of modular iridium complexes derived from P-OP ligands has been evaluated in iridium-mediated asymmetric hydrogenations of heteroaromatic compounds. The “lead” catalysts efficiently catalyzed the hydrogenation of several substituted quinolines and one quinoxaline (10 examples, up to 92% ee).
THE ORAL GLUTMATE CARBOXYPEPTIDASE II INHIBITOR (S)-IBD3540 ROBUSTLY ATTENUATES INFLAMMATION IN SPONTANEOUS IL10 COLITIS (2023)

Abstract BACKGROUND &amp; AIMS Glutamate carboxypeptidase II (GCPII) is elevated in active inflamed biopsies of both Crohn’s disease and ulcerative colitis patients and is a promising therapeutic target for the treatment of IBD. We have previously presented the development and characterization of a first-in-class, gut-restricted, and orally active GCPII inhibitor, (S)-IBD3540, and have shown that oral (S)-IBD3540 attenuates disease severity in multiple murine colitis models, including acute dextran sulfate sodium (DSS)-induced colitis. Here, we extend our knowledge regarding (S)-IBD3540’s anti-inflammatory effects in spontaneously occurring colitis of interleukin 10 (IL10-/-) mice by performing longitudinal measurement of inflammatory biomarker fecal lipocalin 2 (LCN2) and terminal colon cytokine and chemokine measurements. METHODS Female BALB/cAnNTac-Il10em7Tac mice (Taconic, Germantown, NY) were acquired at 4 weeks of age and monitored three times weekly for the onset of clinical signs, including alterations in stool consistency. Following onset of symptoms, groups were randomized and treatment was initiated with vehicle or 100 mg/kg eq. (S)-IBD3540 once daily by oral gavage. Prior to treatment, and biweekly thereafter, fecal LCN2 was quantified using a mouse Lipocalin-2/NGAL DuoSet ELISA (R&amp;D Systems). Upon study termination, proximal colon homogenates were prepared and analyzed by a mouse Cytokine/Chemokine 31-Plex Discovery Assay Array (Eve Technologies). RESULTS Impressively, despite initiating treatment in highly symptomatic mice 100 mg/kg oral (S)-IBD3540 was found to reverse abnormalities in stool consistency. Additionally, (S)-IBD3540 had potent anti-inflammatory effects. As expected, fecal LCN2 was observed to increase throughout the study period in vehicle treated mice, however, fecal LCN2 was significantly decreased in (S)-IBD3540 treated mice (p&amp;lt;0.05). Similarly, colon multiplex analysis identified significant reductions in multiple cytokines and chemokines implicated in IL10 colitis pathobiology, with notable reductions in cytokines TNFa, IL-12p40, and IL-17, and chemokines IP-10 and MIP-2. CONCLUSION (S)-IBD3540 is a novel, gut-restricted, GCPII inhibitor that has robust anti-inflammatory activity in IL10-/- colitis. Encouragingly, we have now found that in this model (S)-IBD3540 reduces pro-inflammatory cytokines/chemokines that are the targets of existing IBD medications. Studies to compare efficacy to one of these agents, anti-IL-12p40, are in progress.
Trading strategy for decentralized energy resources in sequential electricity markets: A swiss case study (2017)

This paper derives optimal day-ahead trading strategies for an aggregator of a decentralized energy resources' mix, who participates in a multi-market environment, including a day-ahead, an intraday and a balancing market. The optimization problem is solved using multi-stage stochastic programming, which is subject to different levels of uncertainties such as variable generation output, day-ahead and intraday market prices. Risk management is conducted to investigate the effect of risk exposure on the total revenue of the aggregator. A case study based on the data from the Swiss electricity market demonstrates the effectiveness of the proposed model.
Controversies in the Treatment of Classical Hodgkin Lymphoma (2018)

Hodgkin lymphoma (HL) is a B-cell-derived malignancy that mostly affects young adults. Pathologically, HL is divided into classical HL (cHL) and the rare entity of nodular lymphocyte-predominant HL. Classical HL is characterized by few malignant cells termed Hodgkin and Reed-Sternberg cells embedded in an inflammatory background. The treatment of cHL has consistently improved over the last decades so that current standard approaches result in long-term remission rates in excess of 80%. However, potentially lethal therapy-related late complications affect an increasing number of survivors. For this reason, issues regarding the optimal treatment of cHL patients are still fiercely debated. Questions under discussion include how treatment can be guided by interim positron emission tomography, the best initial treatment for advanced-stage disease and the use of targeted drugs such as the antibody-drug conjugate brentuximab vedotin and the anti-PD-1 antibodies nivolumab and pembrolizumab. The identification of patients who should undergo allogeneic stem cell transplantation is another unsolved issue. The present article highlights the most relevant clinical trials and addresses controversial open questions in the treatment of cHL.
Enhanced Photocurrent in PbS Quantum Dot Photovoltaics via ZnO Nanowires and Band Alignment Engineering (2016)

Lead sulfide quantum dot (QD) solar cells employing an ordered bulk heterojunction with ZnO nanowires and band alignment engineering of the QD film achieve photocurrent density greater than 30 mA cm−2, the highest reported for a QD photovoltaic (PV) device with an ideal band gap of 1.3 eV. This record performance is shown to be the result of simultaneous improvement in light harvesting and carrier collection efficiency, and these effects are generalizable to other PV absorber materials. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to 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.