gebhart/patrepeval huggingface dataset:
Zinc Complexes of a Bioinspired Binucleating Ligand Platform – Equilibria in Solution and Structures in the Solid State (2012)

Abstract The zinc(II) coordination chemistry of the bioinspired bis(tetradentate) ligand 3,5‐bis{bis[2‐(1‐methylimidazolyl)methyl]aminomethyl}pyrazole (L) was studied in detail both in solution and in the solid state. Six different species were determined in aqueous solution by means of potentiometry within the pH range 2–11, namely mononuclear [ZnH 2 L] 4+ , dinuclear [Zn 2 L] 4+ , [Zn 2 H –1 L] 3+ and [Zn 2 H –2 L] 2+ , as well as tetranuclear [Zn 4 H –5 L 2 ] 3+ and [Zn 4 H –6 L 2 ] 2+ . Complexes representing the protonation state of four of these species could be isolated and structurally characterized by X‐ray diffraction, namely [ZnH 2 L(MeCN)](ClO 4 ) 4 ( 1 ), [Zn 2 H –1 L](SO 3 CF 3 ) 3 ( 4 ), [Zn 2 H –1 L(MeOHOMe)](ClO 4 ) 2 ( 5a ), [Zn 2 H –1 L(OMe)](ClO 4 ) 2 ( 5b ), and [(Zn 2 H –1 L) 2 (μ‐O)(μ‐OH)](ClO 4 ) 3 ( 6 ). In addition, a bis(pyrazolato)‐bridged complex, [(ZnH –1 L) 2 ](ClO 4 ) 2 ( 2 ), was obtained and structurally characterized, and it was found to exhibit ligand dynamics in solution. Both 5a and 5b are likely present in solution, which requires significant plasticity of the Zn ··· Zn distance (4.21 Å in 5a vs. 3.38 Å in 5b ). Interconversion of 5a and 5b is proposed to be a facile process, supporting the idea that the Zn–O 2 H 3 –Zn moiety is a functionally relevant hydrolytic zinc–aqua structure in oligozinc metalloenzymes. The tetranuclear complex 6 that features two {Zn 2 H –1 L} subunits connected by a central μ‐oxido‐μ‐hydroxido moiety is unprecedented in zinc(II) chemistry. Combining X‐ray crystallography with potentiometry, ESI mass spectrometry, as well as NMR and EXAFS spectroscopy has provided a comprehensive picture of the multitude of species present in this rather complex system.
Early surfactant in spontaneously breathing with nCPAP in ELBW infants – a single centre four year experience (2008)

The success of nCPAP increased with increasing use of nCPAP with surfactant. Simultaneously, mortality decreased without deterioration of other outcomes indicating that the use of surfactant in spontaneous breathing with nCPAP could be beneficial.
Deep blue thermally activated delayed fluorescent emitters using CN-modified indolocarbazole as an acceptor and carbazole-derived donors (2018)

Deep blue thermally activated delayed fluorescent (TADF) emitters having carbazole derivatives as donors and CN-modified indolocarbazole as an acceptor were developed.
Peripheral blood candidiasis (2012)

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A 16-month-old boy with a history of chronic intestinal dysmotility requiring total parenteral nutrition was admitted with a suspected line-related sepsis. He had a leukocyte count of 4.3 × 109/L, hemoglobin 73 g/L, and platelets 43 × 109/L. Electrolytes, urea, creatinine,
A Basic Approach for Speed Profiling of Alternating Targets with Photonic Doppler Velocimetry (2019)

Single tone continuous wave lidar system is utilized to construct the speed profile of an oscillating membrane by applying photonic Doppler velocimetry with amplitude-modulated light. Then short-time Fourier Transform is applied to acquire the profile. © 2019 The Author(s)
Extended Comb Needle Model for Energy Efficient Data Aggregation in Random Wireless Sensor Networks (2016)

Background/Objectives: Energy conservation in Wireless Sensor Network is essential to enhance its life. A sensor node consumes more energy for communication than performing data gathering or data processing. Data aggregation minimizes the data size for communication. Methods/Statistical Analysis: The Comb Needle model is available in literature to perform data aggregation for grid networks (regular deployment). Extended the Basic Comb Needle Model in randomly deployed sensor networks. The simple random network with Comb Needle Model is compared with simple random network without Comb Needle Model. The theoretical analysis and simulation study shows that Extended Comb Needle Model performs better data aggregation. Findings: When we apply the Proposed Model in random network, the communication cost, overhead, and energy consumption are significantly reduced. The simulation results for the proposed Extended Comb Needle Model prove that the energy consumption and overall communication costs are substantially minimized. The simulation comparison is done for simple random network with and without Comb Needle Model in terms of communication cost, energy consumption, delay, packet loss, packet delivery ratio, and throughput. We found that the communication cost is decreased from 82% to 58%. the average energy consumption is decreased from 80% to 40%. Delay is decreased from 76% to 20%. Packet loss in decreased from 67% to 12%. Packet Delivery Ratio is increased from 82 % to 87%. And throughput is increased from 70% to 90%. Application/Improvements: Proposed Model optimizes WSN performance in terms of better packet delivery ratio, improved throughput, minimized energy consumption and reduced delay. Simulation results as well as theoretical analysis affirm the same.Keywords: Comb Needle Model, Energy Consumption and Communication Cost, Random Network,Wireless Sensor Network
Compatibilidade e estabilidade físico-químicas de associação de glifosato a adjuvantes (2019)

A adicao de adjuvantes aos produtos fitossanitarios em tanque de pulverizacao e comumente praticada pelos agricultores. Para verificar a interacao do herbicida glifosato associado a adjuvantes, objetivou-se pesquisar as interacoes fisico-quimica quanto a compatibilidade e estabilidade de caldas. Os experimentos foram conduzidos em delineamento inteiramente ao acaso com 3 repeticoes em um total de 19 tratamentos. Cada repeticao foi composta por uma proveta de 250 mL contendo a calda. Os tratamentos se constituiram da aplicacao de tres sais de sal de amonio de glifosato (Round Ultra), sal de dimetilamina (Glizzmax Prime) e sal potassico (Zapp QI 620), na dosagem de 500 g ha -1 de equivalente acido, isolado e em associacao na calda com os adjuvantes: a mistura de lecitina e acido propionico (LI-700) a 178,2 e 356,4 g i.a. 100 L -1 de calda; o ester metilico de oleo de soja (Aureo) a 72 g i.a. 100 L -1 de calda; o oleo mineral (Nimbus) a 214 g i.a. 100 L -1 de calda e dos adjuvantes isolados. Os ensaios de compatibilidade e estabilidade fisico-quimica das caldas foram realizados com base na metodologia descrita na ABNT-NBR 13875/2014. As caldas foram avaliadas visualmente pelo metodo estatico. Os tratamentos com lecitina nas duas dosagens, e oleo mineral associados ao sal de amonio e potassico as 2, 6 e 24 horas apos de preparo, resultaram em suspencao de oleo. Ocorreu redispersao dos produtos contidos em todas as caldas dos tratamentos. Sendo assim, sistemas de agitacao de caldas eficientes nos tanques dos pulverizadores manterao a mistura uniforme durante a aplicacao.
Filesystems: Addressing the Last-mile “problem” in Services-Oriented/Cloud Computing (2012)

We have designed and implemented RestFS, a software framework that provides a uniform, configurable connector layer for mapping remote web-based resources to local filesystem-based resources, recognizing the similarity between these two types of resources. Such mappings enable programmatic access to a resource, as well as composition of two or more resources, through the local operating system’s standard filesystem application programming interface (API), script-able file-based command-line utilities, and interprocess communication (IPC) mechanisms. The framework supports automatic and manual authentication. As part of this talk, we demonstrate a new filesystem that interfaces to the SketchFab.com service to support 3D model visualization. For more information about the NOFS project, visit nofs.googlecode.com, where you can also download and use all of our reference filesystems.
The differential solvent exposure of N-terminal residues provides “fingerprints” of alpha-synuclein fibrillar polymorphs (2021)

Synucleinopathies are neurodegenerative diseases characterized by the presence of intracellular deposits containing the protein alpha-synuclein (aSYN) within patients' brains. It has been shown that aSYN can form structurally distinct fibrillar assemblies, also termed polymorphs. We previously showed that distinct aSYN polymorphs assembled in vitro, named fibrils, ribbons, and fibrils 91, differentially bind to and seed the aggregation of endogenous aSYN in neuronal cells, which suggests that distinct synucleinopathies may arise from aSYN polymorphs. In order to better understand the differential interactions of aSYN polymorphs with their partner proteins, we mapped aSYN polymorphs surfaces. We used limited proteolysis, hydrogen-deuterium exchange, and differential antibody accessibility to identify amino acids on their surfaces. We showed that the aSYN C-terminal region spanning residues 94 to 140 exhibited similarly high solvent accessibility in these three polymorphs. However, the N-terminal amino acid residues 1 to 38 of fibrils were exposed to the solvent, while only residues 1 to 18 within fibrils 91 were exposed, and no N-terminal residues within ribbons were solvent-exposed. It is likely that these differences in surface accessibility contribute to the differential binding of distinct aSYN polymorphs to partner proteins. We thus posit that the polypeptides exposed on the surface of distinct aSYN fibrillar polymorphs are comparable to fingerprints. Our findings have diagnostic and therapeutic potential, particularly in the prion-like propagation of fibrillar aSYN, as they can facilitate the design of ligands that specifically bind and distinguish between fibrillar polymorphs.
Oski's pediatrics : principles and practice (1999)

The Third of Oski's Pediatrics has been thoroughly updated and completely reorganized for greater accessibility. Spanning the entire range of contemporary pediatric medicine, this book is an authoritative, easy-to-use, and clinically relevant reference for students, residents, and clinicians. This edition's new Access section provides succinct overviews of 200 common problems, including definition, etiology, clinical presentation, studies, and treatment for quick reference. Each entry is cross-referenced to the appropriate text chapter. The text chapters are detailed, succinct, and clinically relevant, with numerous tables and algorithms. They cover every aspect of pediatrics, including neonatology, ambulatory care, psychiatric and behavioral disorders, chronic illness, adolescent medicine, sports medicine, infectious diseases, organ system disorders, and critical care.New chapters include measuring the quality of care in pediatrics; genetic testing in pediatric primary care; gene therapy; adoption; antiretroviral therapy in pediatric AIDS; postexposure prophylaxis in pediatric AIDS; acquired cytomegaloviral infections; the cestodes; hernia; childhood obesity; neuroendocrine disorders; amyloidosis; and care of the child with a solid organ transplant. 'A Pediatrician's Companion: Things You Forgot to Remember' section provides easy access to frequently needed information: presenting signs and symptoms, normal lab values, pediatric procedures, and an atlas of syndromes with morphologic anomalies. Oski's Pediatrics, Third Edition can also be purchased with an accompanying interactive CD-ROM that includes the full text and illustrations plus the text of Dr Loren D Walensky's companion handbook, Rapid Access Pediatrics.
Two Distinct Transitions in CuxInS2 Quantum Dots. Bandgap versus Sub-Bandgap Excitations in Copper-Deficient Structures (2016)

Cu-deficient CuInS2 quantum dots (QDs) synthesized by varying the [Cu]:[In] ratio allow modulation of optical properties as well as identification of the radiative emission pathways. Absorption and emission spectral features showed a strong dependence on the [Cu]:[In] ratio of CuxInS2 QDs, indicating two independent optical transitions. These effects are pronounced in transient absorption spectra. The bleaching of band edge absorption and broad tail absorption bands in the subpicosecond-nanosecond time scale provide further evidence for the dual optical transitions. The recombination process as monitored by photoemission decay indicated the involvement of surface traps in addition to the bandgap and sub-bandgap transitions. Better understanding of the origin of the optical transitions and their influence on the photodynamics will enable utilization of ternary semiconductor quantum dots in display and photovoltaic devices.
Experimental demonstration of an active quantum key distribution network with over gbps clock synchronization (2007)

We demonstrate a three-node QKD network that allows multiple users to share secure keys. This QKD network operates on the 850 nm and 1550 nm wavelengths at 1.25 Gbps clock rate. The communication route is controlled by MEMS optical switches. In this paper, we report the network structure and experimental results including the performance of the optical switch, polarization recovery, and timing alignment technology during switching. This demonstration experimentally shows that QKD can be extended to active multi-node networks.
Passive Alignment of Optical Elements in a Printed Circuit Board (2006)

A successful implementation of optics into PCBs (printed circuit boards) requires a precise passive alignment of optical elements relative to the optical waveguides in the board. We tackled this challenge with a novel concept that allows the passive alignment onto a PCB of any optical or optoelectronic building block with a precision of a few micrometers. Markers, structured into a copper layer during manufacturing, are used as a position reference for the polymer waveguide fabrication and for the formation of mechanical alignment features. To form the latter, laser drilling, a standard process for via formation in PCBs, is used. We were able to demonstrate repeated insertions of adapter elements into these alignment slots with a standard deviation of 3 mum for in-plane displacements. Afterwards, optical modules were mounted onto the adapters, using a standard MT interface provided by the adapter. We measured a standard deviation of the order of 5 mum for the in-plane and out-of-plane misalignments of the module with respect to the optical waveguides. The passive alignment concept demonstrated enables accurate and simple plug-in of any kind of element, in particular of optical and opto-electronic elements, into a PCB. The concept is based on established PCB manufacturing processes, which is crucial for the development towards a low-cost optical interconnect technology
Gate-voltage tunable terahertz detection by a GaAs/AlGaAs quantum device (2012)

We report a gate-voltage-controlled terahertz (THz) detector based on a two-dimensional electron gas (2DEG) field-effect transistor. The electron density of the 2DEG can be varied with the gate voltage. In this way, we controlled the amplitude of the THz detected signal by the gate voltage, indicating the role of the external switch for the THz detection.
Chemical Structure Data File For O.A. Cojocaru's Thesis, "Synthesis and chemistry of 4,5-functionalized imidazoles." (2020)

This Structure Data File (SDfile) is associated with the thesis: Cojocaru, O.A. Synthesis and chemistry of 4,5-functionalized imidazoles. and https://ir.ua.edu/handle/123456789/1088 It is distributed by the University of Alabama Libraries. The SDfile is licensed under a Creative Commons Attribution 4.0 International License (https://creativecommons.org/licenses/by/4.0/). Chemical Structure Data Files can be viewed/processed with most cheminformatics toolkits and stand-alone software packages: See https://en.wikipedia.org/wiki/Cheminformatics_toolkit. Note that this is the archived non-standardized chemical substance data. If you are looking for the standardized see the UA Libraries PubChem Data Source: https://pubchem.ncbi.nlm.nih.gov/source/15645. The specific substances associated with this data set are indicated by the local DATSOURCE_REGID identifiers within the SDfile. These identifiers can be used to cross-reference the data within PubChem. Moreover, additional information about the structure data compiling workflow is available on the UA Libraries GitHub Chemical Structures Project Page: https://github.com/ualibweb/UALIB_ChemStructures
Parallel Rate Distortion Optimized Quantization for 4K Real-time GPU-based HEVC Encoder (2018)

We proposed a highly parallel rate distortion optimized quantization (RDOQ) for 4K real-time GPU-based HEVC encoder. RDOQ optimizes a quantized value in the view of a tradeoff relationship between picture quality and compression efficiency. While it brings better compression efficiency for HEVC, it is difficult to process on GPU. This is because two parts which compose RDOQ; the cost calculation and the optimization, are sequential. The proposed method parallelizes both of parts and accelerates RDOQ on GPU. For the cost calculation, the proposed method uses the history data of previous frame. Furthermore, to parallelize the optimization part, the proposed method applies bi-directional parallel scan which can be processed on GPU. Experimental results show that the proposed method improved 26.43 % of BD-rate compared with the conventional GPU-based encoder without RDOQ which enables 4K/60FPS real-time encoding. Furthermore, the proposed method is 5x faster than x265 which is the most practical CPU-based encoder under similar conditions of BD-rate.
Industrial Applications of Pine‐Chemical‐Based Materials (2017)

The pine chemicals industry refers to the recovery and fractionation of bio-renewable products and coproducts obtained primarily from trees of the genus Pinus, via the Kraft pulping process or by the wounding or “chipping” of these trees to collect the exudated oleoresin. This chapter reviews the common uses of crude tall oil (CTO) and its fractionated products in polymeric applications from an industrial perspective. The outline is based on the progression of CTO feedstock to fractionated products including terpenes isolated from crude sulfate turpentine, tall oil fatty acids (TOFAs), and rosin acids from the distillation process. Finally, the chapter includes some miscellaneous coproducts obtained from the fractionation process which are worthy of note. Compared to β-pinene, α-pinene is more abundant but more difficult to polymerize and thus requires co-catalysts to make high softening point resins.
Collaborative competitive filtering (2011)

While a user's preference is directly reflected in the interactive choice process between her and the recommender, this wealth of information was not fully exploited for learning recommender models. In particular, existing collaborative filtering (CF) approaches take into account only the binary events of user actions but totally disregard the contexts in which users' decisions are made. In this paper, we propose Collaborative Competitive Filtering (CCF), a framework for learning user preferences by modeling the choice process in recommender systems. CCF employs a multiplicative latent factor model to characterize the dyadic utility function. But unlike CF, CCF models the user behavior of choices by encoding a local competition effect. In this way, CCF allows us to leverage dyadic data that was previously lumped together with missing data in existing CF models. We present two formulations and an efficient large scale optimization algorithm. Experiments on three real-world recommendation data sets demonstrate that CCF significantly outperforms standard CF approaches in both offline and online evaluations.
Environmental impact tradeoff considerations for wheat bran-based biocomposite (2021)

Bio-based materials are increasingly proposed as sustainable alternatives to fossil-based products. Before commercialization, however, the environmental performance of bio-based materials must be evaluated to ensure the sustainability goals are met. Biocomposites derived from natural fibers hold promises for achieving the desired sustainability while offering competitive performance. Here, we assess the sustainability tradeoffs of using wheat bran, a by-product of milling wheat grain, for biocomposite production. We design two systems to evaluate such decision from the perspectives of flour and biocomposite producers. Each system is compared to a business-as-usual scenario: 1) flour system uses bran at the end of grain milling for either fiber production or disposes of it as waste, and 2) biocomposite system compares producing a biocomposite with 30% bran fiber/70% polypropylene with a 100% polypropylene. Our comparative life cycle assessment shows that in flour system, using wheat bran for biocomposite production rather than wasting it, lowers the overall environmental impacts including global warming and fossil fuel depletion mainly due to bran fiber replacing polypropylene, and avoiding carbon dioxide emissions from bran degradation. In system 2, mixing bran fiber in biocomposite lowers greenhouse gas emissions (1470kgCO2eq/t) and fossil fuel depletion (2130 MJ surplus/t) compared to the fully petroleum-based material. We discuss several upstream (e.g. reducing the chemicals during wheat cultivation) and downstream (e.g. sodium hydroxide consumption during fiber extraction) options that can help improve the overall environmental performance of the studied systems. Our study provides decision-making information for a variety of stakeholders including wheat producers, millers as well as composite industries.
Relative and interacting effects of sex, race, and environment upon body cell mass in healthy adults (1998)

Most epidemiologic studies in nutrition have concentrated on body fat and obesity because of associated health risks, while few studies have examined factors that influence body cell mass (BCM). The relative influences of sex, race, environment, and age upon BCM were compared by analyzing the results of bioimpedance analyses in two cohorts of 1094 healthy adults, including Africans in Zaire, plus African Americans and Caucasians in New York City. Men were taller, heavier, and had a larger BCM and fat-free mass (FFM) than women, while women had more fat than men. African American men and women had more BCM, FFM, and fat than Africans. In contrast, BCM and FFM were not different in African Americans and Caucasians, and body fat was higher only in African American than in Caucasian women. Sex influenced the effects of environment and race, since the majority of the weight differences in men were in FFM, while the majority of the weight differences in women were in fat. The effect of sex upon BCM was stronger than the effects of environment (p < 0.001) or race (p < 0.001), and the effect of environment was stronger than the effect of race (p = 0.012), so that the relative strengths were sex > environment > race. Race had a stronger effect upon FFM than upon BCM. Since race did not affect BCM significantly, it may affect other components of FFM, e.g., extracellular water or solids, such as skeletal mass. The results demonstrate that sex affects normal body composition to a greater degree than race or environment. Am. J. Hum. Biol. 10:259-268, 1998. © 1998 Wiley-Liss, Inc.
Electron Transfer Between Bases in Double Helical DNA (1999)

Fluorescent analogs of adenine that selectively oxidize guanine were used to investigate photoinduced electron transfer through the DNA pi-stack as a function of reactant stacking and energetics. Small variations in these factors led to profound changes in the kinetics and distance dependences of DNA-mediated electron-transfer reactions. Values of beta, a parameter reflecting the dependence of electron transfer on distance, ranged from 0.1 to 1.0 per angstrom. Strong stacking interactions result in the fastest electron-transfer kinetics. Electrons are thus transported preferentially through an intrastrand rather than interstrand pathway. Reactant energetics also modulate the distance dependence of DNA-mediated charge transport. These studies may resolve the range of disparate results previously reported, and paradigms must now be developed to describe these properties of the DNA pi-stack, which can range from insulator- to "wire"-like.