gebhart/patrepeval huggingface dataset:
Binding Mode Determination of Benzimidazole Inhibitors of the Hepatitis C Virus RNA Polymerase by a Structure and Dynamics Strategy (2004)

Eine neuartige Strategie, die NMR-Spektroskopie, medizinische Chemie und Molecular Modeling umfasst, diente zur Bestimmung der Bindungsweise von Liganden und der Rolle ihrer Substituenten dabei. Diese erste Lösungsstruktur eines an die Hepatitis-C-Virus(HCV)-Polymerase gebundenen Inhibitors (siehe Bild) liefert wertvolle Informationen für das rationale Design potenzieller Wirkstoffe gegen HCV-Infektionen. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2004/z460326_s.pdf or from the author. 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.
Microporosity Development of Single-Wall Carbon Nanohorn with Chemically Induced Coalescence of the Assembly Structure (2004)

Single-wall carbon nanohorns (SWNHs) with dahlia flowerlike structures were treated with H2SO4 and H2O2/H2SO4 mixture. The SWNH samples before and after acid treatment were characterized using a transmission electron microscopy (TEM), scanning electron microscopy (SEM), Raman spectroscopy, temperature-programmed desorption (TPD), and N2 adsorption at 77 K. According to TEM and SEM observation, the SWNH bundles were coalesced after H2SO4 and H2O2/H2SO4 treatments, growing up to the bundle size of several micrometers. The Raman spectra provided evidence that the H2O2/H2SO4 treatment leads to intercalation of the H2SO4 molecule into interstitial spaces of individual SWNHs as well as defect formation by oxidation reaction. The H2O2/H2SO4 treatment also altered markedly the N2 adsorption isotherms of SWNH from type II to type I, accompanied with an enhanced N2 adsorption uptake at low relative pressure due to the development of microporosity. Heat treatment at 873 K on H2O2/H2SO4-treated SWNHs additionally increased the N2 adsorption amount at the low relative pressure range. The H2O2/H2SO4 treatment remarkably increased the total surface area and micropore volume. In particular, micropore volume increased almost 5.5 times after H2O2/H2SO4 treatment and successive heat treatment (from 0.11 to 0.60 mL g-1), whereas mesopore volume dramatically decreased (from 0.28 to 0.06 mL g-1). Thereby micropore volume percent remarkably increased from 28 to 91%. The H2O2/H2SO4 treatment of SWNHs enhanced the microporosity due to increase not only of internal pore volume but also interstitial pore volume, which can be achieved by both opening of nanohorn particles and H2SO4 intercalation into the interstitial space between nanohorns. Moreover, the coalescence of SWNH assemblies by H2O2/H2SO4 treatment should transform the mesopores to micropores, and it decreases the external surface area.
Butyrate-induced apoptosis and cell cycle arrest in bovine kidney epithelial cells: Involvement of caspase and proteasome pathways1 (2005)

Beyond their nutritional effect, short-chain fatty acids, especially butyrate, modulate cell differentiation, proliferation, motility, and in particular, they induce cell cycle arrest and apoptosis. A bovine kidney epithelial cell line (Madin-Darby bovine kidney; MDBK) was used to investigate the cell cycle regulatory and apoptotic effects of butyrate. Butyrate not only induced apoptosis but also induced cell cycle arrest at the G1/S boundary and M/G2 in MDBK cells (P < 0.01). The cell responses were concentration-dependent (r(2) = 0.9482, P <0.001). In examining possible mechanisms for the apoptosis and cell cycle arrest induced by butyrate, the results showed that butyrate treatment activates caspase-3 activities and induces accumulation of acetylated histone. At least two proteins, cdc6 and cdk1, become targeted for destruction on butyrate treatment. These two proteins are downregulated (P < 0.01 and P < 0.05, respectively) by proteolytic pathways. Moreover, the proteasome inhibitor MG-132 (carbobenzoxy-L-leucyl-L-leucyl-L-leucinal) reverses the cell cycle arrest induced by butyrate, indicating a multiprotein crosstalk wherein the ubiquitination/ proteasome pathway interacted with the caspase-signaling pathway. Because the proteasome inhibitor MG-132 blocked activation of caspase-3, these results functionally locate the proteasome pathway upstream of the caspase pathway. All these results indicate that butyrate functions as both a nutrient and signaling molecule regulating cell growth and proliferation.
Functional Imaging of Spinal Cord Electrical Activity From Its Evoked Magnetic Field (2009)

This paper investigates dynamic source imaging of the spinal cord electrophysiological activity from its evoked magnetic field by applying the spatial filter version of standardized low-resolution brain electromagnetic tomography (sLORETA). Our computer simulation shows that the sLORETA-based spatial filter can reconstruct the four current sources typically associated with the elicitation of the spinal cord evoked magnetic field (SCEF). The results from animal experiments show that significant changes in the latency and intensity of the reconstructed volume current arise near the location of the artificial incomplete conduction block. The results from the human SCEF show that the SCEF source imaging can visualize the dynamics of the volume currents and other nerve electrical activity propagating along the human spinal cord. These experimental results demonstrate the potential of SCEF source imaging as a future clinical tool for diagnosing cervical spinal cord disorders.
System Security, Platform Security and Usability (Extended Abstract) (2010)

Scalable trusted computing seeks to apply and extend the fundamental technologies of trusted computing to large-scale systems. To provide the functionality demanded by users, bootstrapping a trusted platform is but the first of many steps in a complex, evolving mesh of components. The bigger picture involves building up many additional layers to allow computing and communication across large-scale systems, while delivering a system retaining some hint of the original trust goal. Not to be lost in the shuffle is the most important element: the system’s human users. Unlike 40 years ago, they cannot all be assumed to be computer experts, under the employ of government agencies which provide rigorous and regular training, always on tightly controlled hardware and software platforms. It seems obvious that the design of scalable trusted computing systems necessarily must involve, as an immutable design constraint, realistic expectations of the actions and capabilities of normal human users. Experience shows otherwise. The security community does not have a strong track record of learning from user studies, nor of acknowledging that it is generally impossible to predict the actions of ordinary users other than by observing (e.g., through user experience studies) the actions such users actually take in the precise target conditions. We assert that because the design of scalable trusted computing systems spans the full spectrum from hardware to software to human users, experts in all these areas are essential to the end-goal of scalable trusted computing.
A motor driving controller suitable for elevators (1998)

An induction motor driving controller which can improve the performance of elevators is studied. The controller has three features. Firstly, it has an energy-saving control by which the induction motor stably generates motor torque at the maximum efficiency, regardless of the number of passengers boarding the car, even if both acceleration from a standstill and deceleration from steady-state are done for any elevator. Secondly, it can suppress vertical vibrations of elevators while performing energy-saving control. Thirdly, it ensures good performance of elevators even when the source voltage is reduced due to an overload on the source sides. The controller is judged suitable for the drive system of elevators on the basis of simulations and experiments.
Azelnidipine Decreases Sympathetic Nerve Activity Via Antioxidant Effect in the Rostral Ventrolateral Medulla of Stroke-prone Spontaneously Hypertensive Rats (2008)

The long-acting dihydropyridine calcium channel blocker, azelnidipine, is suggested to inhibit sympathetic nerve activity. We previously demonstrated that oxidative stress in the rostral ventrolateral medulla (RVLM) activates sympathetic nerve activity. The aim of the present study was to determine whether oral administration of azelnidipine inhibits sympathetic nerve activity and if so to determine whether the effect is mediated by antioxidant effect in the RVLM. Azelnidipine, hydralazine, or vehicle was orally administered for 28 days to stroke-prone spontaneously hypertensive rats. Reductions in systolic blood pressure were similar in azelnidipine and hydralazine groups. Heart rate was significantly higher in the hydralazine group than in the control, but not altered in the azelnidipine group. Urinary norepinephrine excretion as an indicator of sympathetic nerve activity was significantly lower in the azelnidipine group, whereas it was significantly higher in the hydralazine group than in the control. Levels of thiobarbituric acid-reactive substances and nicotinamide adenine dinucleotide phosphate oxidase activity were significantly lower in the azelnidipine group than in control. Superoxide dismutase activity was significantly increased in the azelnidipine group more than in the control. These results suggest that azelnidipine decreases an indicator of sympathetic nerve activity by antioxidant effect mediated through inhibition of nicotinamide adenine dinucleotide phosphate oxidase activity and activation of superoxide dismutase in the RVLM of stroke-prone spontaneously hypertensive rats.
Separation Units 4.0 – Trennapparate heute und morgen (2020)

Abstract Die chemische Industrie sieht sich mit gravierenden Herausforderungen konfrontiert: Die Einhaltung der Klimaschutzziele, die Auswirkungen der Energiewende und die zunehmende Bedeutung der Kreislaufwirtschaft treffen die gesamte Wertschöpfungskette. Lösungsansätze von der Prozess‐ über die Apparateebene bis hin zum Einzelphänomen sind notwendig, um die Wettbewerbsfähigkeit dieses zentralen Industriezweigs zu erhalten. In diesem Beitrag werden aktuelle Entwicklungen und zukünftige Handlungsfelder in der Trenntechnik, die für diese Herausforderungen wertvolle Beiträge leisten können, dargestellt.
Morphactin influences sexual and asexual reproduction in fungi (1971)

It has been reported that fungi are not affected morphologically by morphactins. We found, however, that levels of perithecial formation by Nectria haematococca and pycnidial formation by Ascochyta pisi were strikingly lowered by concentrations of morphactin not inhibiting or only slightly inhibiting vegetative growth. Photo- or geo-tropism of Phycomyces blakesleeanus was not affected, and there was no evidence for interference by morphactin in the light reactions stimulating perithecial production by Nectria haematococca.
S1c2-4 Probing energy landscape of ubiquitin-like proteins with variable-pressure NMR(S1-c2: "Protein Hydration and Dynamics Studied on Pressure-axis",Symposia,Abstract,Meeting Program of EABS & BSJ 2006) (2006)

The deep-
Significant enhancement in quantum-dot light emitting device stability via a ZnO:polyethylenimine mixture in the electron transport layer (2021)

The effect of adding polyethylenimine (PEI) into the ZnO electron transport layer (ETL) of inverted quantum dot (QD) light emitting devices (QDLEDs) to form a blended ZnO:PEI ETL instead of using it in a separate layer in a bilayer ZnO/PEI ETL is investigated. Results show that while both ZnO/PEI bilayer ETL and ZnO:PEI blended ETL can improve device efficiency by more than 50% compared to QDLEDs with only ZnO, the ZnO:PEI ETL significantly improves device stability, leading to more than 10 times longer device lifetime. Investigations using devices with marking luminescent layers, electron-only devices and delayed electroluminescence measurements show that the ZnO:PEI ETL leads to a deeper penetration of electrons into the hole transport layer (HTL) of the QDLEDs. The results suggest that the stability enhancement may be due to a consequent reduction in hole accumulation at the QD/HTL interface. The findings show that ZnO:PEI ETLs can be used for enhancing both the efficiency and stability of QDLEDs. They also provide new insights into the importance of managing charge distribution in the charge transport layers for realizing high stability QDLEDs and new approaches to achieve that.
EFFECTS OF ORGANIC AMENDMENTS ON THE TOXICITY AND BIOAVAILABILITY OF CADMIUM AND COPPER IN SPIKED FORMULATED SEDIMENTS (2003)

We evaluated the partitioning and toxicity of cadmium (Cd) and copper (Cu) spiked into formulated sediments containing two types of organic matter (OM), i.e., cellulose and humus. Amendments of cellulose up to 12.5% total organic carbon (TOC) did not affect partitioning of Cd or Cu between sediment and pore water and did not significantly affect the toxicity of spiked sediments in acute toxicity tests with the amphipod Hyalella azteca. In contrast, amendments of natural humus shifted the partitioning of both Cd and Cu toward greater concentrations in sediment and lesser concentrations in pore water and significantly reduced toxic effects of both metals. Thresholds for toxicity, based on measured metal concentrations in whole sediment, were greater for both Cd and Cu in sediments amended with a low level of humus (2.9% TOC) than in sediments without added OM. Amendments with a high level of humus (8.9% TOC) eliminated toxicity at the highest spike concentrations of both metals (sediment concentrations of 12.4 μg Cd/g and 493 μg Cu/g). Concentrations of Cd in pore water associated with acute toxicity were similar between sediments with and without humus amendments, suggesting that toxicity of Cd was reduced primarily by sorption to sediment OM. However, toxic effects of Cu in humus treatments were associated with greater pore-water concentrations than in controls, suggesting that toxicity of Cu was reduced both by sorption and by complexation with soluble ligands. Both sorption and complexation by OM tend to make proposed sediment quality guidelines (SQGs) based on total metal concentrations more protective for high-OM sediments. Our results suggest that the predictive ability of SQGs could be improved by models of metal interactions with natural OM in sediment and pore water.
Won't you be my neighbor?: neighbor selection attacks in mesh-based peer-to-peer streaming (2008)

P2P streaming has grown in popularity, allowing people in many places to benefit from live audio and television services. Mesh-based P2P streaming has emerged as the predominant architecture in realworld use because of its resilience to churn and node failures, scalability, and ease of maintenance. The proliferation of these applications on the public Internet raises questions about how they can be deployed in a secure and robust manner. Failing to address security vulnerabilities could facilitate attacks with significant consequences such as content censorship, unfair business competition, or external impact on the Internet itself. In this paper, we identify and evaluate neighbor selection attacks against mesh-based P2P streaming which allow insider attackers to control the mesh overlay formation and maintenance. We demonstrate the effect of the attacks against a mesh-based P2P streaming system and propose a solution to mitigate the attacks. Our solution is scalable, has low overhead, and works in realistic heterogeneous networks. We evaluate our solution using a mesh-based P2P streaming system with real-world experiments on the PlanetLab Internet testbed and simulations using the OverSim P2P simulator.
Disaccharide Mimetics of the Aminoglycoside Antibiotic Neamine (2004)

A highly convergent approach has been employed for the facile synthesis of a library of 24 disaccharides that are alpha(1-3), beta(1-3), alpha(1-4), or beta(1-4) linked and contain 2-4 amino groups. Fourier-transformation ion cyclotron resonance mass spectrometry (FT-ICR MS) has been used to determine dissociation constant (Kd) values for the binding of the disaccharides to a prototypical fragment of 16S ribosomal RNA. Several derivatives bound with affinities similar to that of neamine. Structure-activity relationships have revealed the substitution pattern that is important for high-affinity binding. The compounds described here are unique lead compounds for the design of novel aminoglycoside antibiotics.
Non-Abelian braiding of graph vertices in a superconducting processor (2022)

Indistinguishability of particles is a fundamental principle of quantum mechanics. For all elementary and quasiparticles observed to date - including fermions, bosons, and Abelian anyons - this principle guarantees that the braiding of identical particles leaves the system unchanged. However, in two spatial dimensions, an intriguing possibility exists: braiding of non-Abelian anyons causes rotations in a space of topologically degenerate wavefunctions. Hence, it can change the observables of the system without violating the principle of indistinguishability. Despite the well developed mathematical description of non-Abelian anyons and numerous theoretical proposals, the experimental observation of their exchange statistics has remained elusive for decades. Controllable many-body quantum states generated on quantum processors offer another path for exploring these fundamental phenomena. While efforts on conventional solid-state platforms typically involve Hamiltonian dynamics of quasi-particles, superconducting quantum processors allow for directly manipulating the many-body wavefunction via unitary gates. Building on predictions that stabilizer codes can host projective non-Abelian Ising anyons, we implement a generalized stabilizer code and unitary protocol to create and braid them. This allows us to experimentally verify the fusion rules of the anyons and braid them to realize their statistics. We then study the prospect of employing the anyons for quantum computation and utilize braiding to create an entangled state of anyons encoding three logical qubits. Our work provides new insights about non-Abelian braiding and - through the future inclusion of error correction to achieve topological protection - could open a path toward fault-tolerant quantum computing.
Propagate-Selector: Detecting Supporting Sentences for Question Answering via Graph Neural Networks (2019)

In this study, we propose a novel graph neural network called propagate-selector (PS), which propagates information over sentences to understand information that cannot be inferred when considering sentences in isolation. First, we design a graph structure in which each node represents an individual sentence, and some pairs of nodes are selectively connected based on the text structure. Then, we develop an iterative attentive aggregation and a skip-combine method in which a node interacts with its neighborhood nodes to accumulate the necessary information. To evaluate the performance of the proposed approaches, we conduct experiments with the standard HotpotQA dataset. The empirical results demonstrate the superiority of our proposed approach, which obtains the best performances, compared to the widely used answer-selection models that do not consider the intersentential relationship.
Aktueller und künftiger Stellenwert der gefäßchirurgischen Expertise für Viszeralchirurgen – eine Expertenbefragung (2018)

There is an expert consensus that vascular surgery is of increasing significance for visceral surgeons. In spite of the possibility of optional rotations for residents at most hospitals, there seems to be a demand for more expertise in vascular surgery at several departments. Obligatory rotation in vascular surgery should be discussed within training programs for visceral surgery.
The Danger of Being Too Sympathetic: Norepinephrine in Alzheimer's Disease and Graying of Hair (2020)

Although alterations in the sympathetic nervous system (SNS) with age have been reported, and serious degenerative diseases of the autonomic nervous system such as multiple system atrophy are more likely to strike older people, connections between dysregulated adrenergic receptors and age-associated diseases and phenotypes have not been well studied. Two recent reports suggest that SNS may be more closely connected than previously appreciated. First, low nanomolar concentrations of Alzheimer's disease (AD)-associated Aβ42-amyloid oligomers alter signaling by SNS neurotransmitter norepinephrine (NE) to sufficiently activate kinase GSK3β to hyperphosphorylate tau, a key mediator of neurotoxicity in AD. Connecting beta-amyloid to tau in AD has been a key quest in understanding AD and developing therapeutics. The α<sub>2</sub> adrenergic receptor inhibitory drug idazoxan reduces GSK3β activity and tau phosphorylation in AD mice with improved cognitive function, even in the presence of beta-amyloid deposits. In this study, SNS activation in the brain coupled with problematic Aβ42-amyloid oligomers result in serious consequences that can be ameliorated by reducing SNS signaling. A second example of the detrimental effects of increased SNS signaling is the premature graying of hair in response to stress. Secretion of NE resulting from stress causes differentiation of most hair pigment melanocyte stem cells (MeSCs) into melanocytes, rapidly depleting the hair follicle of pigment-producing cells as mature melanocytes undergo apoptosis and MeSCs are eventually eliminated. Blockade of NE SNS signaling preserves hair coloration in stressed animals. Increased SNS activation has serious apparently irreversible effects on homeostasis in both situations. Although neither report directly addresses aging, given that AD and the loss of hair pigmentation have strong age associations, it is of interest to better understand the role that SNS has in promoting age-associated phenotypes generally and determine if tuning the SNS through drug-mediated attenuation of SNS signaling may be of medical benefit.
Self‐Assembly of Two Distinct Supramolecular Motifs in a Single Crystalline Framework (2004)

Copper(II) complexes based on dipyrromethene ligands self-assemble into molecular hexagons (green) and double-helical coordination polymers (blue and yellow) within the same crystalline lattice organized by the self-segregation of CF3 groups. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2004/z53520_s.pdf or from the author. 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.
<title>Alternative display and interaction devices</title> (1995)

While virtual environment systems are typically thought to consist of a headmounted display and a flex-sensing glove, alternative peripheral devices are beginning to be developed in response to application requirements. Three such alternatives are discussed: fingertip sensing gloves, fixed stereoscopic viewers and counterbalanced headmounted displays. A subset of commercial examples that highlight each alternative is presented, as well as a brief discussion of interesting engineering and implementation issues.