gebhart/patrepeval huggingface dataset:
Electronic structure of interstitial hydrogen in In-Ga-Zn-O semiconductor simulated by muon (2019)

We report on the local electronic structure of an interstitial muon (Mu) as pseudohydrogen in In-Ga-Zn oxide (IGZO) semiconductors studied by muon spin rotation/relaxation (μSR) experiment. In polycrystalline (c-) IGZO, it is inferred that Mu is in a diamagnetic state, where the μSR time spectra under zero external field are perfectly described by the Gaussian Kubo-Toyabe relaxation function with the linewidth Δ serving as a sensitive measure for the random local fields from In/Ga nuclear magnetic moments. The magnitude of Δ combined with the density functional theory calculations for H (to mimic Mu) suggests that Mu occupies Zn-O bond-center site (MuBC) similar to the case in crystalline ZnO. This implies that the diamagnetic state in c-IGZO corresponds to MuBC+, thus serving as an electron donor. In amorphous (a-) IGZO, the local Mu structure in the as-deposited films is nearly identical to that in c-IGZO, suggesting MuBC+ for the electronic state. In contrast, the diamagnetic signal in heavily hydrogenated a-IGZO films exhibits the Lorentzian Kubo-Toyabe relaxation, implying that Mu accompanies more inhomogeneous distribution of the neighboring nuclear spins that may involve a Mu− H−-complex state in an oxygen vacancy.
Antibacterial activity of the micro and nanostructures of the optical material tris(8-hydroxyquinoline)aluminum and its application as an antimicrobial coating (2022)

Although tris(8-hydroxyquinoline)aluminum (Alq<sub>3</sub>), a fluorescent optical organometallic material, is known for its applications in optoelectronics, it has only few and limited applications in the biological field. In this study, the antibacterial activity of Alq<sub>3</sub> micro and nanostructures was investigated. We prepared Alq<sub>3</sub> nanostructures. We prepared nanosized Alq<sub>3</sub> as rice-like structures that assembled into flower shapes with an α-crystal phase. Then, Alq<sub>3</sub> micro and nanostructure antibacterial activities were estimated against seven human pathogenic bacterial strains. Besides, we compared their antibacterial activities with those of standard antibiotics. The minimal inhibitory concentration (MIC), minimum bactericidal concentration (MBC), and IC50 were evaluated. Alq<sub>3</sub> micro and nanostructure antibacterial activity showed considerable values compared to standard antibiotics. Besides, the obtained data revealed that the antibacterial activity of Alq<sub>3</sub> in nanostructures with a new morphology is more than that in microstructures. The antibacterial activity of Alq<sub>3</sub> nanostructures was attributed to their more surface interactions with the bacterial cell wall. The molecules of 8-hydroxyquinoline in the Alq<sub>3</sub> structure could play crucial roles in its antibacterial activity. To apply the achieved results, Alq<sub>3</sub> was incorporated with polystyrene (PS) in a ratio of 2% to fabricate a PS/Alq<sub>3</sub> composite and used to coat glass beakers, which showed inhibition in the bacterial growth reduced to 65% compared with non-coated beakers. The finding of this study showed that Alq<sub>3</sub> could be used as a promising antimicrobial coating.
Robotic transtibial prosthesis with biomechanical energy regeneration (2009)

Purpose The purpose of this paper is to describe a project which seeks to develop a new generation of powered prostheses based on lightweight, uniquely tuned, energy‐storing elastic elements in series with optimal actuator systems that will significantly reduce the peak power requirement of the motor and the total system energy requirement while providing the amputee 100 percent of required “push‐off” power and ankle sagittal plane range‐of‐motion comparable to able‐bodied gait. Design/methodology/approach This paper presents the design, power, and energy‐efficiency analyses, and the results of a five‐month trial with one trans‐tibial amputee subject as part of the first phase of the Spring Ankle with Regenerative Kinetics project. Findings The data show that by leveraging uniquely tuned springs and transmission mechanisms, motor power is easily amplified more than four fold and the electric energy requirement is cut in half compared with traditional approaches. Originality/value This paper describes an energy efficient, powered transtibial prosthesis currently unavailable commercially. Motor power and energy requirements are reduced with use of a unique design that employs regenerative kinetics.
Synthese und Strukturanalyse von 1,2,3,4‐Tetrahydrobenzo[g]chinoxalin‐5,10‐chinonen (1987)

Abstract 2,3‐Diamino‐1,4‐naphthohydrochinon reagiert mit Benzaldehyden unter Cyclisierung und Protonenwanderung stereoselektiv zu 2,3‐disubstituierten 1,2,3,4‐Tetrahydrobenzo[ g ]chinoxalin‐5,10‐chinonen ( 1 – 7 ) (Ausbeuten ca. 80%). Benzochinoxalin‐5,10‐chinon 8 , das in 2‐ und 3‐Stellung unterschiedlich substituiert ist, wird durch eine zweistufige Reaktion erhalten. Die Anordnung der Phenylreste in 2‐ und 3‐Stellung wird für 1 und 9 durch Röntgenstrukturanalysen ermittelt; beide Spezies liegen in trans ‐Konfiguration vor. Durch Oxidation zu Benzo [ g ]chinoxalin‐chinonen und anschließende katalytische Hydrierung werden cis ‐Isomere erhalten. Unter Berücksichtigung der Ergebnisse aus den Kristallstruktur‐ und NMR‐Untersuchungen werden verschiedene Konformationen diskutiert.
Toward Additive‐Free Small‐Molecule Organic Solar Cells: Roles of the Donor Crystallization Pathway and Dynamics (2015)

The ease with which small-molecule donors crystallize during solution processing is directly linked to the need for solvent additives. Donor molecules that get trapped in disordered (H1) or liquid crystalline (T1) mesophases require additive processing to promote crystallization, phase separation, and efficient light harvesting. A donor material (X2) that crystallizes directly from solution yields additive-free solar cells with an efficiency of 7.6%.
Novel main-chain-fluorinated polymers for 157-nm photoresists (2003)

Main-chain-fluorinated base-resins, including tetrafluoroethylene and norbornene derivatives, were synthesized and their fundamental properties, such as transparency at 157 nm and solubility in a standard alkaline developer, were characterized. A high transparency, i.e., absorbance of less then 0.5 &mu;m<sup>-1</sup>, was achieved by optimizing the polymerization conditions with a variety of counter monomers. It was found that the polymerization conditions could also control the dissolution rates of the fluoropolymers and increased the dissolution rate of unprotected fluoropolymers by about three orders of magnitude, which was sufficient for the alkaline developability. Positive-working resists based on fluororesins were developed and showed good transparency of less than 1 &mu;m<sup>-1</sup> at 157 nm, and good solubility in a standard alkaline solution of 0.26-N tetramethylammonium (without any swelling behavior). And an acceptable etching rate as resistant as ArF resists was obtained and 65-nm dense lines could be delineated by the exposure at 157-nm wavelength.
Proactive Construction of an Annotated Imaging Database for Artificial Intelligence Training (2020)

Artificial intelligence (AI) holds much promise for enabling highly desired imaging diagnostics improvements. One of the most limiting bottlenecks for the development of useful clinical-grade AI models is the lack of training data. One aspect is the large amount of cases needed and another is the necessity of high-quality ground truth annotation. The aim of the project was to establish and describe the construction of a database with substantial amounts of detail-annotated oncology imaging data from pathology and radiology. A specific objective was to be proactive, that is, to support undefined subsequent AI training across a wide range of tasks, such as detection, quantification, segmentation, and classification, which puts particular focus on the quality and generality of the annotations. The main outcome of this project was the database as such, with a collection of labeled image data from breast, ovary, skin, colon, skeleton, and liver. In addition, this effort also served as an exploration of best practices for further scalability of high-quality image collections, and a main contribution of the study was generic lessons learned regarding how to successfully organize efforts to construct medical imaging databases for AI training, summarized as eight guiding principles covering team, process, and execution aspects.
WATER USE EFFICIENCY FOR JATROPHA IN SANDY SOIL (2010)

This study was conducted at Wadi El-Natron area, season (2008-2009), to evaluate the influence of three irrigation systems (Bubbler, Micro-sprinkler and Trickle) on Jatropha production. Also, this work includes different water management techniques, (quantities 60%, 80% and 100% from ETo and irrigation interval of 2 and 4 days). The objective of the present work is to implement some of these intervals and water deficits in computing actual evapotranspiration of Jatropha under desert conditions, to maximize the seeds oil content production of Jatropha under different irrigation systems to save water .The results are as follows: Highest seeds yield production (302.40 kg/fed), was obtained under bubbler irrigation system at 100% applied irrigation water and 2 days intervals, comparing with micro-sprinkler and trickle irrigation systems (238.48 kg/fed) and (204.80kg/fed), respectively. Maximum crude Jatropha oil content “CJO” (%) (29.33%) was obtained under trickle irrigation system at 60% applied irrigation water and 4 days intervals, comparing with micro-sprinkler and bubbler systems (24.2%) and (23.21%), respectively. lowest actual evapotranspiration “ETa” for (initial, development, mid-season, and late-season) growth stages of value were (50.50, 326.37, 671.79 and 142.34) respectively and 1191mm for all-season, were obtained under trickle irrigation system at 60% applied irrigation water with 2 days intervals . Water use efficiency under bubbler irrigation system at 80% applied water quantity and 2 day intervals (0.18 kg/m3) was highest than different treatments.
Guest Editors' Introduction: Special Issue on Trust, Security, and Privacy in Parallel and Distributed Systems (2014)

The articles in this special section focus on trust, network security, and privacy deployed in parallel and distributed systems.
Role of LFA-1 and VLA-4 in the adhesion of cloned normal and LFA-1 (CD11/CD18)-deficient T cells to cultured endothelial cells. Indication for a new adhesion pathway (1992)

Patients with the leukocyte adhesion deficiency (LAD) syndrome have a genetic defect in the common beta 2-chain (CD18) of the leukocyte integrins. This defect can result in the absence of cell surface expression of all three members of the leukocyte integrins. We investigated the capacity of T cell clones obtained from the blood of an LAD patient and of normal T cell clones to adhere to human umbilical vein endothelial cells (EC). Adhesion of the number of LAD T cells to unstimulated EC was approximately half of that of leukocyte function-associated antigen (LFA)-1+ T cells. Stimulation of EC with human rTNF-alpha resulted in an average 2- and 2.5-fold increase in adhesion of LFA-1+ and LFA-1- cells, respectively. This effect was maximal after 24 h and lasted for 48 to 72 h. The involvement of surface structures known to participate in cell adhesion (integrins, CD44) was tested by blocking studies with mAb directed against these structures. Adhesion of LFA-1+ T cells to unstimulated EC was inhibited (average inhibition of 58%) with mAb to CD11a or CD18. Considerably less inhibition of adhesion occurred with mAb to CD11a or CD18 (average inhibition, 20%) when LFA-1+ T cells were incubated with rTNF-alpha-stimulated EC. The adhesion of LFA-1- T cells to EC stimulated with rTNF-alpha, but not to unstimulated EC, was inhibited (average inhibition, 56%) by incubation with a mAb directed to very late antigen (VLA)-4 (CDw49d). In contrast to LAD T cell clones and the LFA-1+ T cell line Jurkat, mAb to VLA-4 did not inhibit adhesion of normal LFA-1+ T cell clones to EC, whether or not the EC had been stimulated with rTNF-alpha. We conclude that the adhesion molecule pair LFA-1/intercellular adhesion molecule (ICAM)-1 plays a major role in the adhesion of LFA-1+ T cell clones derived from normal individuals to unstimulated EC. Adhesion of LFA-1-T cells to TNF-alpha-stimulated EC is mediated by VLA-4/vascular cell adhesion molecule (VCAM)-1 interactions. Since we were unable to reduce significantly the adhesion of cultured normal LFA-1+ T cells to 24 h with TNF-alpha-stimulated endothelium with antibodies that block LFA-1/ICAM-1 or VLA-4/VCAM-1 interactions, and lectin adhesion molecule-1 and endothelial leukocyte adhesion molecule-1 appeared not to be implicated, other as yet undefined cell surface structures are likely to participate in T cell/EC interactions.
Rugged spectroscopic calibration using neural networks (2005)

One of the greatest obstacles to wide spread adoption of multivariate spectroscopic assays for process control is the lack of ruggedness with respect to changes in instrument response. In the course of applying backpropagation artificial neural networks to a wide range of spectroscopic calibration applications we have found that neural networks have a tendency to overfit calibration data sets. Networks that overfit calibration data sets give poor predictive performance and exhibit sensitivity to small measurement errors on future samples. In addition, retraining after random initialization to new values does not converge to the same result when the quasi-Newton optimization method is employed. This behavior is due in part to the very large number of parameters being optimized and noise in the optimization surface. We have recently devised a training strategy to develop rugged calibrations that utilizes the tendency of neural networks to converge to different results. A rugged calibration is one which we hypothesize is insensitive to slight changes in instrument response due to wavelength calibration errors, baseline offsets or path-length changes.
Mapa de Saliência para Nuvem de Pontos Usando Projeções (2021)

Algoritmos para a criação de mapas de saliência são bem estabelecidos para imagens, porém não há literatura sobre tais algoritmos para nuvens de pontos. Utilizamos então projeções ortográficas em planos bidimensionais para que possam ser aplicados os algoritmos já existentes na literatura para a criação de um mapa de saliência tridimensional. Os resultados de cada mapa de saliência são projetados para os voxels 3D e os resultados das múltiplas projeções são utilizados para gerar um mapa de saliência 3D. Resultados apresentam a região do rosto das nuvens de pontos como sendo a mais saliente.
System architectures with virtualized resources in a large-scale computing infrastructure (2009)

While system virtualization provides a new vehicle of consolidating computer systems, simply virtualizing existing servers does not realize all of the benefits, resulting in inefficient resource usage and underperforming systems. In this thesis, we design key components for three different applications on large-scale virtualized infrastructures. 
Unlike physical servers, the amount of resources allocated to a virtual machine (VM) can be changed dynamically after its creation. 
We first design a web server cluster that uses a hash-based request distribution algorithm to improve scalability and locality. To handle uneven request distribution, resource allocations are adapted according to current demand. We also develop a scheme to improve fault-tolerance by retaining existing locality in surviving VMs as much as possible and transferring the workload on the failed node with the virtual resources that were allocated to the failed node. We then design a distributed proportional-share CPU scheduler for reducing the execution time of parallel computing programs by adjusting the CPU share allocation. The scheduler first infers the dependency between computing nodes by monitoring network packets and process state at each node. Excessive CPU shares are then identified and transferred in a distributed fashion. 
While some resources can be simply space-shared between VMs, contention for time-shared resources may result in additional delay that affects the dead reckoning accuracy in Internet game servers. Finally, we improve the virtual network interface design by allowing timestamps to be taken in the host OS and passed to a guest OS. Our evaluation result shows that reduced response time, better throughput, and more accurate timestamps can be achieved in a virtualized infrastructure that incorporates the design proposed in this thesis.
Determinating Full Parameters of U-Matrix for Reconfigurable Boson Sampling Circuits using Machine Learning (2018)

A method of tuning a reconfigurable silicon photonic circuit into an arbitrary unitary operator with machine learning was proposed to bypass the traditional phase-voltage calibration process and make the prediction of applied heating voltage directly.
Bone Marrow Concentrate Injection Treatment Improves Short-term Outcomes in Symptomatic Hip Osteoarthritis Patients: A Pilot Study (2020)

A single BMC injection can significantly improve subjective pain and function scores up to 6 months in patients with symptomatic hip OA. Further studies are warranted to evaluate BMC treatment against other therapeutics in a larger sample size and compare the biological signature profiles that may be responsible for the therapeutic effect.
Interval-valued reduced order statistical interconnect modeling (2005)

We show how recent advances in the handling of correlated interval representations of range uncertainty can be used to predict the impact of statistical manufacturing variations on linear interconnect. We represent correlated statistical variations in RLC parameters as sets of correlated intervals, and show how classical model order reduction methods - AWE and PRIMA - can be re-targeted to compute interval-valued, rather than scalar-valued reductions. By applying a statistical interpretation and sampling to the resulting compact interval-valued model, we can efficiently estimate the impact of variations on the original circuit. Results show the technique can predict mean delay with errors between 5-10%, for correlated RLC parameter variations up to 35%.
Photocatalytic Oxygenation of Substrates by Dioxygen with Protonated Manganese(III) Corrolazine (2016)

UV-vis spectral titrations of a manganese(III) corrolazine complex [Mn(III)(TBP8Cz)] with HOTf in benzonitrile (PhCN) indicate mono- and diprotonation of Mn(III)(TBP8Cz) to give Mn(III)(OTf)(TBP8Cz(H)) and [Mn(III)(OTf)(H2O)(TBP8Cz(H)2)][OTf] with protonation constants of 9.0 × 10(6) and 4.7 × 10(3) M(-1), respectively. The protonated sites of Mn(III)(OTf)(TBP8Cz(H)) and [Mn(III)(OTf)(H2O)(TBP8Cz(H)2)][OTf] were identified by X-ray crystal structures of the mono- and diprotonated complexes. In the presence of HOTf, the monoprotonated manganese(III) corrolazine complex [Mn(III)(OTf)(TBP8Cz(H))] acts as an efficient photocatalytic catalyst for the oxidation of hexamethylbenzene and thioanisole by O2 to the corresponding alcohol and sulfoxide with 563 and 902 TON, respectively. Femtosecond laser flash photolysis measurements of Mn(III)(OTf)(TBP8Cz(H)) and [Mn(III)(OTf)(H2O)(TBP8Cz(H)2)][OTf] in the presence of O2 revealed the formation of a tripquintet excited state, which was rapidly converted to a tripseptet excited state. The tripseptet excited state of Mn(III)(OTf)(TBP8Cz(H)) reacted with O2 with a diffusion-limited rate constant to produce the putative Mn(IV)(O2(•-))(OTf)(TBP8Cz(H)), whereas the tripseptet excited state of [Mn(III)(OTf)(H2O)(TBP8Cz(H)2)][OTf] exhibited no reactivity toward O2. In the presence of HOTf, Mn(V)(O)(TBP8Cz) can oxidize not only HMB but also mesitylene to the corresponding alcohols, accompanied by regeneration of Mn(III)(OTf)(TBP8Cz(H)). This thermal reaction was examined for a kinetic isotope effect, and essentially no KIE (1.1) was observed for the oxidation of mesitylene-d12, suggesting a proton-coupled electron transfer (PCET) mechanism is operative in this case. Thus, the monoprotonated manganese(III) corrolazine complex, Mn(III)(OTf)(TBP8Cz(H)), acts as an efficient photocatalyst for the oxidation of HMB by O2 to the alcohol.
Chasing biomimetic locomotion speeds: Creating untethered soft robots with shape memory alloy actuators (2018)

By using compliant lightweight actuators with shape memory alloy, we created untethered soft robots that are capable of dynamic locomotion at biologically relevant speeds.
The Fibrinogen-binding MSCRAMM (Clumping Factor) of Staphylococcus aureus Has a Ca2+-dependent Inhibitory Site (1998)

The clumping factor (ClfA) is a cell surface-associated protein of Staphylococcus aureus that promotes binding of fibrinogen or fibrin to the bacterial cell. Previous studies have shown that ClfA and the platelet integrin alphaIIbbeta3 recognize the same domain at the extreme C terminus of the fibrinogen gamma-chain. alphaIIbbeta3 interaction with this domain is known to occur in close proximity to a Ca2+-binding EF-hand structure in the alpha-subunit. Analysis of the primary structure of ClfA indicated the presence of a potential Ca2+-binding EF-hand-like motif at residues 310-321 within the fibrinogen-binding domain. Deletion mutagenesis and site-directed mutagenesis of this EF-hand in recombinant truncated ClfA proteins (Clf40, residues 40-559; and Clf41, residues 221-559) resulted in a significant reduction of affinity for native fibrinogen and a fibrinogen gamma-chain peptide. Furthermore, Ca2+ (or Mn2+) could inhibit the binding of the fibrinogen gamma-chain peptide to Clf40-(40-559) and the adhesion of S. aureus cells to immobilized fibrinogen with an IC50 of 2-3 mM. In contrast, Mg2+ (or Na+) at similar concentrations had no effect on the ClfA-fibrinogen interaction. Far-UV CD analysis of Clf40-(40-559) and Clf41-(221-559) in the presence of metal ions indicated Ca2+- and Mn2+-induced differences in secondary structure. These data suggest that Ca2+ binds to an inhibitory site(s) within ClfA and induces a conformational change that is incompatible with binding to the C terminus of the gamma-chain of fibrinogen. Mutagenesis studies indicate that the Ca2+-dependent inhibitory site is located within the EF-hand motif at residues 310-321.
C(5)-Epimerization in Glycopyranosides during the Cyclization of anomeric Radicals: Ease of the intramolecular 1,5-Hydrogen Atom Transfer (1994)

The extent and the regioselectivity of the intramolecular 1,5-hydrogen atom transfer in glycopyranosidic radicals have been studied by deuteration experiments with n-Bu3SnD. Exclusive translocation of the primary cyclized radical 4 to the C(5)-center (in 6) has been observed. Conformational effects are, most probably, governing the ease of the intramolecular hydrogen atom transfer.
Heat induces the splicing by IRE1 of a mRNA encoding a transcription factor involved in the unfolded protein response in Arabidopsis (2011)

Adverse environmental conditions produce endoplasmic reticulum (ER) stress in plants. In response to heat or ER stress agents, Arabidopsis seedlings mitigate stress damage by activating ER-associated transcription factors and a RNA splicing factor, IRE1b. IRE1b splices the mRNA-encoding bZIP60, a basic leucine-zipper domain containing transcription factor associated with the unfolded protein response in plants. bZIP60 is required for the up-regulation of BINDING PROTEIN3 (BIP3) in response to ER stress, and loss-of-function mutations in IRE1b or point mutations in the splicing site of bZIP60 mRNA are defective in BIP3 induction. These findings demonstrate that bZIP60 in plants is activated by RNA splicing and afford opportunities for monitoring and modulating stress responses in plants.