gebhart/patrepeval huggingface dataset:
Ultrafast UV−Visible and Infrared Spectroscopic Observation of a Singlet Vinylcarbene and the Intramolecular Cyclopropenation Reaction (2009)

Ultrafast UV-vis/IR spectroscopies were used to study the photochemistry of a vinyl diazo ester PhCH=CHCN2CO2CH3 (1) in solution. The results indicate that singlet styrylcarbomethoxy carbene ((1)2) is produced from the excited state of diazo precursor (1*). It is concluded that vinyl singlet carbene ((1)2) undergoes an intramolecular cyclopropenation reaction to produce the cyclopropene product (3), and undergoes intersystem crossing to ground triplet carbene ((3)2). The predictions of DFT calculations are consistent with the observations.
Structurally Driven Environmental Degradation of Friction in MoS2 Films (2021)

Abstract We report an investigation of the friction mechanisms of MoS 2 thin films under changing environments and contact conditions using a variety of computational and experimental techniques. Molecular dynamics simulations were used to study the effects of water and molecular oxygen on friction and bonding of MoS 2 lamellae during initial sliding. Characterization via photoelectron emission microscopy (PEEM) and Kelvin probe force microscopy (KPFM) were used to determine work function changes in shear modified material within the top few nanometers of MoS 2 wear scars. The work function was shown to change with contact conditions and environment, and shown by density functional theory (DFT) calculations and literature reports to be correlated with lamellae size and thickness of the basally oriented surface layer. Results from nanoscale simulations and macroscale experiments suggest that the evolution of the friction behavior of MoS 2 is linked primarily to the formation or inhibition of a basally oriented, molecularly thin surface film with long-range order.
High efficiency impedance control network resonant DC-DC converter with optimized startup control (2015)

This paper presents an improved efficiency impedance control network (ICN) resonant dc-dc converter that maintains zero voltage switching (ZVS) and near zero current switching (ZCS) across wide ranges in input and output voltages and output power. The improvement in efficiency in this burst mode operated converter is achieved through an optimized startup control that minimizes its startup transient and helps the converter maintain ZVS and near ZCS operation even during the startup. This optimization of startup is made possible by a new accurate time domain model for the ICN converter waveforms that helps reduce the number of non-ZVS transitions by 75%. A prototype 200 W, 500 kHz ICN resonant converter designed to operate over an input voltage range of 25 V to 40 V and output voltage range of 250 V to 400 V is built and tested. The prototype ICN converter achieves a peak efficiency of 97.2% and maintains greater than 96.2% full power efficiency at 250 V output voltage across the nearly 2:1 input voltage range, and maintains full power efficiency above 94.6% across its full input and output voltage range. The converter also maintains efficiency above 93.6% over a 10:1 output power range across its full input and output voltage range.
A Virus‐Mimetic Nanogel Vehicle (2008)

Wirkstoff am Ziel: Ein pH-empfindliches Nanogel besteht aus einem hydrophoben Copolymerkern und zwei hydrophilen Schichten als Schale (siehe Bild). Der Kern enthält außerdem den Antitumorwirkstoff Doxorubicin (DOX). Das Nanogel dringt rezeptorgesteuert in Tumorzellen ein, tötet diese und wandert dann wie ein Virus zu benachbarten Zellen. BSA=Rinderserumalbumin, F=Folat, PEG=Polyethylenglycol.
Guanidinium cations roles in perovskites solar cells (2018)

Alotaibi, Mohammad; Dar, Ibrahim; Arora, Neha; Alzahrani, Yahya; Alyamani, Ahmed; Albadri, Abdulrahman; Albrithen, Hamad; Alanzi, Ali; Alghamdi, Fahad; Allehyani, Ibrahim; Zakeeruddin, Shaik M.; Graetzel, Michael
Punctured-Chern Topological Invariants for Semimetallic Band Structures (2023)

Topological insulator-based methods underpin the topological classification of gapped bands, including those surrounding semimetallic nodal defects. However, multiple bands with gap-closing points can also possess nontrivial topology. We construct a general wave-function-based "punctured-Chern" invariant to capture such topology. To show its general applicability, we analyze two systems with disparate gapless topology: (1) a recent two-dimensional fragile topological model to capture the various band-topological transitions and (2) a three-dimensional model with a triple-point nodal defect to characterize its semimetallic topology with half integers that govern physical observables such as anomalous transport. This invariant also gives the classification for Nexus triple points (Z×Z) with certain symmetry restrictions, which is reconfirmed by abstract algebra.
Low‐Stress Silicon Nitride Platform for Mid‐Infrared Broadband and Monolithically Integrated Microphotonics (2013)

A monolithic Mid-IR microphotonics platform is demonstrated by engineered Si-rich and low-stress silicon nitride (SiNx) thin films. A measured optical transmission loss of < 0.2 dB cm-1 is achieved over a broad mid-IR spectrum. Using the SiNx film an efficient mid-IR directional coupler is developed that shows a high extinction ratio of 7 dB upon wavelength scanning (λ = 2.45–2.65 μm).
ENERGY EXPENDITURE AND CALORIC INTAKE IN INFANTS FOLLOWING THE NORWOOD PROCEDURE (2006)

Li, Jia; Zhang, Gencheng; Herridge, Joann; Holtby, Helen; Humpl, Tilman; Caldarone, Christopher; Williams, William G.; Redington, Andrew N; VanArsdell, Glen S.Editor(s): Chang, Anthony C. MD, MBA, Editor Author Information
Querying quantitative logic models (Q2LM) to study intracellular signaling networks and cell‐cytokine interactions (2011)

Mathematical models have substantially improved our ability to predict the response of a complex biological system to perturbation, but their use is typically limited by difficulties in specifying model topology and parameter values. Additionally, incorporating entities across different biological scales ranging from molecular to organismal in the same model is not trivial. Here, we present a framework called "querying quantitative logic models" (Q2LM) for building and asking questions of constrained fuzzy logic (cFL) models. cFL is a recently developed modeling formalism that uses logic gates to describe influences among entities, with transfer functions to describe quantitative dependencies. Q2LM does not rely on dedicated data to train the parameters of the transfer functions, and it permits straight-forward incorporation of entities at multiple biological scales. The Q2LM framework can be employed to ask questions such as: Which therapeutic perturbations accomplish a designated goal, and under what environmental conditions will these perturbations be effective? We demonstrate the utility of this framework for generating testable hypotheses in two examples: (i) a intracellular signaling network model; and (ii) a model for pharmacokinetics and pharmacodynamics of cell-cytokine interactions; in the latter, we validate hypotheses concerning molecular design of granulocyte colony stimulating factor.
Single-shot full field imaging in a dual-wavelength digital holographic microscope (2012)

We demonstrate volume diffractive structures to manipulate the coherence plane tilt at several two simultaneously to achieve full field 3D imaging in a low coherence digital off-axis holographic microscope (DHM) in a single shot.
Surveying integration approaches for relevance in Cyber Physical Production Systems (2015)

Flexibility and adaptability are major challenges for modern production systems. To realize them integration approaches are required. Within this paper a literature survey on integration approaches and integration approach types is described based on an attempt towards a detailed characterization of both. It is intended to enable an informed decision for research and development directions towards modern integration strategies as required in Cyber Physical Production Systems.
Cardiac MR imaging: current status and future direction. (2015)

Coronary artery disease is currently a worldwide epidemic with increasing impact on healthcare systems. Magnetic resonance imaging (MRI) sequences give complementary information on LV function, regional perfusion, angiogenesis, myocardial viability and orientations of myocytes. T2-weighted short-tau inversion recovery (T2-STIR), fat suppression and black blood sequences have been frequently used for detecting edematous area at risk (AAR) of infarction. T2 mapping, however, indicated that the edematous reaction in acute myocardial infarct (AMI) is not stable and warranted the use of edematous area in evaluating therapies. On the other hand, cine MRI demonstrated reproducible data on LV function in healthy volunteers and LV remodeling in patients. Noninvasive first pass perfusion, using exogenous tracer (gadolinium-based contrast media) and arterial spin labeling MRI, using endogenous tracer (water), are sensitive and useful techniques for evaluating myocardial perfusion and angiogenesis. Recently, new strategies have been developed to quantify myocardial viability using T1-mapping and equilibrium contrast enhanced MR techniques because existing delayed contrast enhancement MRI (DE-MRI) sequences are limited in detecting patchy microinfarct and diffuse fibrosis. These new techniques were successfully used for characterizing diffuse myocardial fibrosis associated with myocarditis, amyloidosis, sarcoidosis heart failure, aortic hypertrophic cardiomyopathy, congenital heart disease, restrictive cardiomyopathy, arrhythmogenic right ventricular dysplasia and hypertension). Diffusion MRI provides information regarding microscopic tissue structure, while diffusion tensor imaging (DTI) helps to characterize the myocardium and monitor the process of LV remodeling after AMI. Novel trends in hybrid imaging, such as cardiac positron emission tomography (PET)/MRI and optical imaging/MRI, are recently under intensive investigation. With the promise of higher spatial-temporal resolution and 3D coverage in the near future, cardiac MRI will be an indispensible tool in the diagnosis of cardiac diseases, coronary intervention and myocardial therapeutic delivery.
Posttranscriptional Regulation of IL-23 Expression by IFN-γ through Tristetraprolin (2011)

IL-23 plays an essential role in maintenance of IL-17-producing Th17 cells that are involved in the pathogenesis of several autoimmune diseases. Regulation of Th17 cells is tightly controlled by multiple factors such as IL-27 and IFN-γ. However, the detailed mechanisms responsible for IFN-γ-mediated Th17 cell inhibition are still largely unknown. In this study, we demonstrate that IFN-γ differentially regulates IL-12 and IL-23 production in both dendritic cells and macrophages. IFN-γ suppresses IL-23 expression by selectively targeting p19 mRNA stability through its 3'-untranslated region (3'UTR). Furthermore, IFN-γ enhances LPS-induced tristetraprolin (TTP) mRNA expression and protein production. Overexpression of TTP suppresses IL-23 p19 mRNA expression and p19 3'UTR-dependent luciferase activity. Additionally, deletion of TTP completely abolishes IFN-γ-mediated p19 mRNA degradation. We further demonstrate that IFN-γ suppresses LPS-induced p38 phosphorylation, and blockade of p38 MAPK signaling pathway with SB203580 inhibits IFN-γ- and LPS-induced p19 mRNA expression, whereas overexpression of p38 increases p19 mRNA expression via reducing TTP binding to the p19 3'UTR. Finally, inhibition of p38 phosphorylation by IFN-γ leads to TTP dephosphorylation that could result in stronger binding of the TTP to the adenosine/uridine-rich elements in the p19 3'UTR and p19 mRNA degradation. In summary, our results reveal a direct link among TTP, IFN-γ, and IL-23, indicating that IFN-γ-mediated Th17 cell suppression might act through TTP by increasing p19 mRNA degradation and therefore IL-23 inhibition.
Immunobiology of Pediatric Tuberculosis: Lessons Learned and Implications for an Improved TB-Vaccine (2017)

Abstract Children, especially neonates and young infants, are uniquely vulnerable to tuberculosis (TB) and frequently present with primary progressive pulmonary or disseminated disease. There is an urgent need to understand the unique immunobiology of Mycobacterium tuberculosis (Mtb) in young infants and to identify protective infant immune responses. The existing vaccine against TB, Mycobacterium bovis bacillus Calmette–Guérin (M. bovis BCG), provides a partial protection against TB disease and disseminated forms of TB in infants; however, it is unknown how this partial protection is mediated. To end pediatric TB morbidity and mortality, a fully efficacious next-generation TB-vaccine is needed. Here, we focus on our current understanding of TB immunobiology as it pertains to young infants, and we evaluate what BCG-vaccination, as well as recently trialed novel TB-vaccines, has taught us about the immunobiology of mycobacterial infection in this population.
Double-Ended Quality Assessment System for Super-Wideband Speech (2010)

This paper describes a double-ended quality assessment system for speech with a bandwidth of up to 14 kHz (so-called super-wideband speech). The quality assessment system is based on a combination of local and global features, where the local features are dependent on a time alignment procedure and the global features are not. The system is evaluated over a large set of subjectively scored narrowband, wideband and super-wideband speech databases. The system performs similarly to PESQ for narrowband speech and significantly better for wideband speech.
Review of Deep Learning Methods for Individual Treatment Effect Estimation with Automatic Hyperparameter Optimization (2022)

&lt;p&gt;Abstract—Estimation of individual treatment effect (ITE) for different types of treatment is a common challenge in therapy assessments, clinical trials and diagnosis. Deep learning methods, namely representation based, adversarial, and variational, have shown promising potential in ITE estimation. However, it was unclear whether the hyperparameters of the originally proposed methods were well optimized for different benchmark datasets. To solve these problems, we created a public code library containing representation-based, adversarial, and variational methods written in TensorFlow. In order to have a broader collection of ITE estimation methods, we have also included neural network based meta-learners. The code library is made accessible for reproducibility and facilitating future works in the field of causal inference. Our results demonstrate that performance of most methods can be improved using automatic hyperparameter optimization. Additionally, we review the methods and compare the performance of the optimized models from our library on publicly available datasets. The potential of hyperparameter optimization may encourage researchers to focus on this aspect when creating new methods for inferring individual treatment effect.&lt;/p&gt;
Differences in insulin and sympathetic responses to glucose ingestion due to family history of hypertension (1996)

To evaluate the relationship of metabolic and neural factors in familial hypertension, we examined blood pressure (BP), blood glucose, and plasma insulin and norepinephrine (NE) levels before and every 30 min for 120 min after glucose ingestion in six groups with 20 subjects each: normotensive subjects (NT) with and without a family history of hypertension; borderline hypertensive patients (BHT) with and without a family history of hypertension; and established hypertensive patients (EH) with and without a family history of hypertension. The changes in blood glucose were similar in the six groups. In the subjects with a positive family history of hypertension regardless of BP levels, the basal levels and changes in insulin levels after glucose ingestion were significantly greater than those in the subjects without a family history of hypertension (F = 13.32, P = .0001). In BHT and EH subjects, regardless of family history, changes in insulin were greater than in NT (F = 16.00, P = .0001). Basal levels and changes in plasma NE were higher in BHT and EH (F = 26.55, P = .0001) than NT and changes in plasma NE were greater in subjects with a family history than those in subjects without a family history (F = 18.32, P = .0001). Thus, abnormal insulin and NE responses to glucose appear to aggregate in subjects with a history of familial hypertension, regardless of the level of BP. Furthermore, the ratio of delta NE/ delta insulin (changes from basal to peak) in NT and BHT, and in subjects with a family history were significantly greater than in EH and in subjects without a family history. Thus, we demonstrated that concomitant abnormalities in the glucose-insulin regulatory system and the sympathetic nervous system characterize the early phase in the development of hypertension and these abnormalities have an apparent genetic basis.
ChemInform Abstract: 5‐(α‐Fluorovinyl)‐N‐tosylindole. (1996)

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.
Generation of B lymphocytes from a single hemopoietic progenitor cell in vitro (1991)

The first stages of the pathway by which lymphocytes differentiate from hemopoietic stem cells were studied at a clonal level. When 211 interleukin 3 (IL-3)-induced blast colonies shown to be capable of differentiating into a variety of hemopoietic cells were individually transferred into wells containing a monolayer of stromal cells, growth in granulocyte, macrophage, megakaryocyte, or mast cell lineages was observed in 192 wells. In seven of these 192 wells, lymphoid cell growth also was seen. The lymphoid cells were proved to be B lymphocytes by phenotype and immunoglobulin gene rearrangement analyses and by demonstration of surface expression of IgM. The clonal origin of myeloid and B lymphocyte lineage cells was further confirmed by the generation of both myeloid and B lymphoid cells in the same well following FACS clone-sorting of IL-3 induced blast cells. These results provide in vitro evidence that cells of B lymphoid and myeloid lineage can originate clonally from single primitive hemopoietic stem cells.
3D Printed Engineered, Strain-Hardening Geopolymer Composite (EGC/SHGC) as Permanent Formwork for Concrete Beam Construction (2022)

The extrusion-based 3D concrete printing (3DCP) technology allows the fabrication of permanent formwork with intricate shapes, into which fresh concrete is cast to build structural members with complex geometry. This significantly enhances the geometric freedom of concrete structures without the use of expensive temporary formwork. In addition, with proper material choice for the permanent formwork, the load-bearing capacity and durability of the resulting structure can be improved. This paper investigates 3DCP of permanent formwork for reinforced concrete (RC) beam construction. A 3D-printable engineered geopolymer composite (3DP-EGC, or strain-hardening geopolymer composite, 3DP-SHGC) recently developed by the authors was used for fabrication of the permanent formwork. The 3DP-EGC exhibits strain-hardening behaviour under direct tension. Two different printing patterns were used for the soffit of the permanent formwork to investigate the effect of this parameter on the flexural performance of RC beams. A conventionally mould-cast RC beam was also prepared as the control beam for comparison purposes. The results showed that the RC beams constructed using the 3DP-EGC permanent formwork exhibited superior flexural performance to the control beam. Such beams yielded significantly higher cracking load (up to 43%), deflection at ultimate load (up to 60%), ductility index (50%) and absorbed energy (up to 107%) than those of the control beam. The ultimate load was comparable with or slightly higher than that of the control beam. Furthermore, the printing pattern at the soffit of the permanent formwork was found to have a significant influence on the flexural performance of the RC beams.
The Future of Mobile Device Research in HCI (2006)

In this paper, I present four trends that point toward the increasing importance of mobile device research in HumanComputer Interaction (HCI). These trends indicate a future in which the gap between the user and the desktop is even wider than today, mobile devices have proliferated even further in society, and computer use is more intermittent and in a greater variety of contexts than our current user models accommodate. The implications are that mobile devices must be made more accessible to an aging population, they must be designed for “situational impairments” incurred from on-the-go use, they must adopt flexible and rapid input mechanisms, and the models that describe them must be revamped to accommodate mobile use and behavior. There are also opportunities for using mobile devices in computer education and medical care in developing nations, where mobile devices are more common than desktop PCs.
High-throughput Activity Assay for Screening Inhibitors of the SARS-CoV-2 Mac1 Macrodomain (2021)

ABSTRACT Macrodomains are a class of conserved ADP-ribosylhydrolases expressed by viruses of pandemic concern, including coronaviruses and alphaviruses. Viral macrodomains are critical for replication and virus-induced pathogenesis; therefore, these enzymes are a promising target for antiviral therapy. However, no potent or selective viral macrodomain inhibitors currently exist, in part due to the lack of a high-throughput assay for this class of enzymes. Here, we developed a high-throughput ADP-ribosylhydrolase assay using the SARS-CoV-2 macrodomain Mac1. We performed a pilot screen which identified dasatinib and dihydralazine as ADP-ribosylhydrolase inhibitors. Importantly, dasatinib does not inhibit MacroD2, the closest Mac1 homolog in humans. Our study demonstrates the feasibility of identifying selective inhibitors based on ADP-ribosylhydrolase activity, paving the way for screening large compound libraries to identify improved macrodomain inhibitors and explore their potential as antiviral therapies for SARS-CoV-2 and future viral threats.
Decomposition Characteristics of Metal-Organic Materials of Ga Doped Zinc Oxide for Evaluation as MOCVD Precursor (2010)

Abstract not Available.