gebhart/patrepeval huggingface dataset:
The chemistry of ferrous bis-glycinate chelate. (2001)

In order to produce a ferrous chelate four criteria must be met: 1) the ligand must contain two functional groups which are capable of entering into covalent and coordinate covalent bonds; 2) a ring structure with the ferrous ion being the closing member of the ring must be created; 3) the chelate must be sterically possible; and 4) the chelation reaction must be energetically possible. In addition to the above, a totally nutritionally functional ferrous chelate must meet three further criteria: 1) it must have low molecular weight; 2) its stability constant must be nutritionally functional; and 3) the ligand must be metabolizable by the body. When ferrous iron is reacted with glycine and forms a bis-glycinate chelate, it meets all of the requirements of being both a chelate and being a totally nutritionally functional chelate.
Facile synthesis of highly disperse Ni–Co nanoparticles over mesoporous silica for enhanced methane dry reforming (2018)

A synergistic approach was made to develop a highly stable and carbon resistant catalyst system based on cobalt and nickel supported over modified mesoporous silica for the dry reforming of methane (DRM). Modified mesoporous silica is prepared by a hydrothermal method, and the total Co & Ni composition is taken at around 5% by using the deposition-precipitation technique. CO2 reforming with methane was performed at 400-800 °C under atmospheric pressure as well as at a pressure of 1 MPa, keeping the CH4/CO2 ratio equal to unity. The catalyst assembly before and after the reaction was thoroughly characterized by a wide range of analytical techniques including N2 physisorption, XRD, TPR, TPO, TPH, XPS, SEM, TEM, elemental mapping, TG-DTG. The physicochemical characterization results confirmed the homogeneous distribution of nanosized metal particles into the hexagonal framework of modified silica, which plays a vital role towards a stronger metal support interaction that renders carbon deposition upon the active metal surface as well as avoids metal sintering at higher temperatures. At the same time, the coexistence of nanosized Co and Ni into the mesopores produced a synergy which provides better stability without any deactivation at high pressure reaction conditions. In situ DRIFT analysis evidenced that the reaction proceeds over these catalysts through an initial pathway in which both methane and carbon dioxide initially dissociate over the metal along with a bifunctional pathway in which methane dissociates over the active metal and carbon dioxide activated over the basic support surface via a formate intermediate. Density Functional Theory (DFT) calculations were also performed and further support the proposed mechanism from DRIFT studies.
High-quality fully relaxed In0.65Ga0.35As layers grown on InP using the paramorphic approach (1999)

Thin and thick fully relaxed In0.65Ga0.35As layers have been grown on InP substrates (0.81% misfit), with high structural and high optoelectronic quality at an operating wavelength of ∼2.0 μm. Full relaxation is achieved, using the paramorphic approach, by growing the In0.65Ga0.35As layers lattice matched to an InAs0.25P0.75 seed membrane of predetermined lattice parameter. The InAs0.25P0.75 layer was originally grown pseudomorphically strained on the InP substrate before being separated and elastically relaxed using surface micromachining.
Dietary docosahexaenoic acid-enriched glycerophospholipids exert cardioprotective effects in ouabain-treated rats via physiological and metabolic changes (2015)

Docosahexaenoic acid (DHA) might prevent heart failure or optimise drug treatments by improving cardiac contraction. We investigated whether DHA-enriched avian glycerophospholipids (GPL-DHA) exert cardioprotection in ouabain-treated rats after 4 weeks of dietary supplementation with 10, 35 or 60 mg DHA per kg body weight versus none (DHA10, DHA35, DHA60 and control groups, respectively). The contractile responsiveness to different doses of ouabain (10(-7) to 10(-4) M), ouabain intoxication (at 3 × 10(-4) M), and relative variations in cardiac energy metabolism were determined using (31)P NMR in isolated perfused rat hearts. The fatty acid composition of cardiac membranes was analysed by gas chromatography. DHA accretion in the heart was dose-dependent (+8%, +30% and +45% for DHA10, DHA35 and DHA60, respectively). The cardiac phosphocreatine content significantly increased at the baseline in DHA35 (+45%) and DHA60 groups (+85%), and at the different doses of ouabain in the DHA60 group (+73% to 98%). The maximum positive inotropy achieved at 10(-4) M ouabain was significantly increased in all DHA groups versus control (+150%, +122.5% and +135% for DHA10, DHA35 and DHA60, respectively), and ouabain intoxication was delayed. The increase in myocardial phosphocreatine content and the improved efficacy of ouabain on myocardial contraction without toxicity suggest the potential of GPL-DHA as a dietary supplement or ingredient for functional food, and possibly as a co-treatment with digitalis drugs in humans.
Faculty Opinions recommendation of Shaping up the protein folding funnel by local interaction: lesson from a structure prediction study. (2006)

Predicting protein tertiary structure by folding-like simulations is one of the most stringent tests of how much we understand the principle of protein folding. Currently, the most successful method for folding-based structure prediction is the fragment assembly (FA) method. Here, we address why the FA method is so successful and its lesson for the folding problem. To do so, using the FA method, we designed a structure prediction test of "chimera proteins." In the chimera proteins, local structural preference is specific to the target sequences, whereas nonlocal interactions are only sequence-independent compaction forces. We find that these chimera proteins can find the native folds of the intact sequences with high probability indicating dominant roles of the local interactions. We further explore roles of local structural preference by exact calculation of the HP lattice model of proteins. From these results, we suggest principles of protein folding: For small proteins, compact structures that are fully compatible with local structural preference are few, one of which is the native fold. These local biases shape up the funnel-like energy landscape. PMID: 16488978
ChemInform Abstract: BIOSYNTHESIS OF α‐NAPHTHOCYCLINONE (1978)

Abstract Strukturen und Biosynthese verschiedener Naphthocyclinone, z.B. der α‐Verbindung (I), werden diskutiert.
Embedded Devices for Neuromorphic Time-Series Assessment (2022)

Modern computation based on the von Neumann architecture is today a mature cutting-edge science. In the Von Neumann architecture, processing and memory units are implemented as separate blocks interchanging data intensively and continuously. This data transfer is responsible for a large part of the power consumption. The next generation computer technology is expected to solve problems at the exascale with 1018 calculations each second. Even though these future computers will be incredibly powerful, if they are based on von Neumann type architectures, they will consume between 20 and 30 megawatts of power and will not have intrinsic physically built-in capabilities to learn or deal with complex data as our brain does. These needs can be addressed by neuromorphic computing systems which are inspired by the biological concepts of the human brain. This new generation of computers has the potential to be used for the storage and processing of large amounts of digital information with much lower power consumption than conventional processors. Among their potential future applications, an important niche is moving the control from data centers to edge devices. The aim of this Roadmap is to present a snapshot of the present state of neuromorphic technology and provide an opinion on the challenges and opportunities that the future holds in the major areas of neuromorphic technology, namely materials, devices, neuromorphic circuits, neuromorphic algorithms, applications, and ethics. The Roadmap is a collection of perspectives where leading researchers in the neuromorphic community provide their own view about the current state and the future challenges for each research area. We hope that this Roadmap will be a useful resource by providing a concise yet comprehensive introduction to readers outside this field, for those who are just entering the field, as well as providing future perspectives for those who are well established in the neuromorphic computing community.
Transcriptional control and cell type specificity of HPV gene expression (1994)

10.1001/archderm.130.2.210
Nitric Oxide Gas in Carbon Nanohorn/Fluorinated Dendrimer/Fluorinated Poly(ethylene glycol)-Based Hierarchical Nanocomposites as Therapeutic Nanocarriers (2021)

Nitric oxide (NO) gas nanocarrier materials were prepared via a hierarchical assembly of poly(amido amine) dendrimers with fluorocarbon binding sites (DEN-<i>F</i>) and fluorinated poly(ethylene glycol) (<i>F</i>-PEG) on nitrogen-doped carbon nanohorns (NCNHs). The loading abilities of NO gas in these nanocarrier materials increased with the nitrogen doping of CNH and hierarchies formed by DEN-<i>F</i> and <i>F</i>-PEG. Especially, the ability of CNH-based nanocomposite materials was better than that of graphene-based materials. The loading of NO gas arose an infrared absorption band at 1387 cm<sup>-1</sup> and increased the intensity ratio of D and G bands in Raman spectra, although these phenomena diminished after the degas treatment. The antimicrobial effects on bacteria (<i>Escherichia coli</i> and <i>Staphylococcus aureus</i>) increased depending on the loading amount of NO gas. It was confirmed from these results that NO gas weakly interacts with nitrogen-doped CNH and is trapped in the void volumes of DEN-<i>F</i> and <i>F</i>-PEG hierarchies. Thus, the concentric hierarchy is preferable for slow release of NO gas due to the void volumes in DEN-<i>F</i>, <i>F</i>-PEG, and CNH hierarchical organization. This sustained release of NO gas is advantageous with regards to the potential biomedical gas therapy against bacteria and other parasites.
Molecular composition and volatility of isoprene photochemical oxidation secondary organic aerosol under low- and high-NOx conditions (2017)

Here, we present measurements of secondary organic aerosol (SOA) formation from isoprene photochemical oxidation in an environmental simulation chamber at a variety of oxidant conditions and using dry neutral seed particles to suppress acid-catalyzed multiphase chemistry. A high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) utilizing iodide-adduct ionization coupled to the Filter Inlet for Gases and Aerosols (FIGAERO) allowed for simultaneous online sampling of the gas and particle composition. Under high-HO 2 and low-NO conditions, highly oxygenated (O : C ≥ 1) C 5 compounds were major components (~50%) of SOA. The SOA composition and effective volatility evolved both as a function of time and as a function of input NO concentrations. Organic nitrates increased in both the gas and particle phases as input NO increased, but the dominant non-nitrate particle-phase components monotonically decreased. We use comparisons of measured and predicted gas-particle partitioning of individual components to assess the validity of literature-based group-contribution methods for estimating saturation vapor concentrations. While there is evidence for equilibrium partitioning being achieved on the chamber residence timescale (5.2 h) for some individual components, significant errors in group-contribution methods are revealed. In addition, >30% of the SOA mass, detected as low-molecular-weight semivolatile compounds, cannot be reconciled withmore » equilibrium partitioning. These compounds desorb from the FIGAERO at unexpectedly high temperatures given their molecular composition, which is indicative of thermal decomposition of effectively lower-volatility components such as larger molecular weight oligomers.« less
Space Shuttle probabilistic risk assessment: methodology and application (2002)

This paper describes the methodology and processes used for the probabilistic risk assessment of the Space Shuttle vehicle to systematically quantify the risk incurred during a nominal Shuttle mission and rank the risk driving components to allow for a concerted risk and cost reduction effort. This year-long effort represents a development resulting from seven years of application of risk technology to the Space Shuttle. These applications were initiated by NASA shortly after the Challenger accident as recommended by the Rogers and Slay Commission reports. The current effort is the first integrated quantitative assessment of the risk of the loss of the Shuttle vehicle from 3 seconds prior to liftoff to wheel-stop at mission end. The study which was conducted under the direction of NASA's Shuttle Safety and Mission Assurance office at Johnson Spaceflight Center focused on Shuttle operational risk but included consideration of all the Shuttle flight and test history since the beginning of the program through Mission 67 in July of 1994.
Priority list and particle swarm optimization based unit commitment of thermal units including renewable uncertainties (2016)

Utilizing thermal generation alone to meet the energy demand leads to adverse effects on environment. So, to minimize the environmental pollution, there is a need to enhance the renewable energy contribution in the grid. In this paper a hybrid Priority List and Particle Swarm Optimization (PL-PSO) approach to solve Unit Commitment (UC) and Economic Load Dispatch (ELD) of thermal units integrated with renewable sources like wind and solar power plant is presented. The on/off decision of thermal units is handled by PL technique, while Particle Swarm Optimization (PSO) solves ELD. Both programs are run simultaneously, fine tuning their solutions in search of a better solution. Wind and solar power output is modeled using MATLAB Simulink tool and coding respectively. Wind and Solar uncertainties are handled using scheduling of operating reserve Ancillary service. The problem formulation considers minimum up and down time, start up cost and spinning reserve constraints. The objective is to minimize the fuel cost associated with thermal units while satisfying constraints. Case studies are performed on 10 and 54 thermal unit systems including solar and wind generation and the results are encouraging.
Quantitation Of Human Granulocyte Protease Inhibitors In Non-Purulent Bronchial Lavage Fluids (1978)

The predominant inhibitors of granulocyte proteases in plasma (α1-antitrypsin, α1-antichymotrypsin, and α2-macroglobulin) were quantitated in unconcentrated bronchial lavage fluids obtained from non-infected individuals, together with the acid-stable low molecular weight inhibitor with activity against granulocyte elasto-lytic and chymotrypsin-like enzymes. This latter inhibitor accounted for about 90 % of the total molar concentration of granulocyte protease inhibitors in the bronchial lavage fluids. The remaining 10% consisted mostly of α1-anti-trypsin and α1-antichymotrypsin. About 85 % of the bronchial inhibitor was in a free form with preserved enzyme reactivity. The remaining 15% of the immunoreactive bronchial inhibitor exhibited a molecular size indicating complexation with enzymes. The major portion of α1-antitrypsin and α1-antichymotrypsin showed electrophoretic mobilities and molecular sizes similar to the native proteins but had no enzyme reactivity.
Flüssigkristalle (1983)

Bei zahlreichen organischen Verbindungen existiert neben den drei normalen Aggregatzuständen zwischen dem festen und dem flüssigen Zustand ein Bereich, der als kristallin flüssig bezeichnet wird. Makroskopisch verhalten sich diese sog. flüssigen Kristalle wie Flüssigkeiten, indem sie die Form ihres Behälters annehmen, unter dem Polarisationsmikroskop jedoch weisen sie ein kristalloptisches Verhalten auf. Während isotrope Flüssigkeiten zwischen gekreuzten Polarisatoren ein dunkles Gesichtsfeld ergeben, wird durch einen Flüssigkristall Aufhellung bewirkt. Dies kann nur durch das Vorliegen einer bestimmten ein- oder zweidimensionalen Ordnung ihrer molekularen Bausteine erklärt werden. Eine derartige Teilordnung der Moleküle im kristallin flüssigen Zustand hat zur Folge, daß alle wichtigen physikalischen Eigenschaften wie elastisches und dielektrisches Verhalten, magnetische Suszeptibilität, Brechungsindex, elektrische Leitfähigkeit und Viskosität von der Richtung abhängen, also anisotrop sind.
A simulation-based decision support system for a specialty chemicals production plant (1992)

The subject of this paper is the development of an interactive simulation-based decision support system for a batch processing facility. Thk+ system is a decision-making tool that can be used by both the production scheduler and the production staff to help them in both long and short-term scheduling of production and equipment and in capacity planning. Simulation has been combined with artificial intelligence methodology to produce an interactive, simulation-based decision support system that can be used in an on-line or off-line mode. Off line, the system can be used for long-term capacity and debottlenecking studies. Operated on line, the model can be used for short-term planning, scheduling, and decision-makhtg. The different modules of the system interface with the user in a menu-driven format, collect work-in-process information from the plant's distributed control system, run simulations, and provide interpretations of the results in an easy-to-understand format.
New experimental findings for single-event gate rupture in MOS capacitors and linear devices (2004)

Mechanisms for single-event gate rupture (SEGR) in MOS capacitors and linear integrated circuits (ICs ) are explored at ion energies greater than 1 GeV. We find that SEGR thresholds depend strongly on ion energy, but are independent of oxide defects, bias polarity, doping concentration, and ionizing dose. The number of SEGR strikes across a MOS capacitor was measured, and the SEGR response cross section distinctly shows an electric field threshold. The importance of having stiffening and speedup capacitors at the device is discussed.
Microwave Plasma Reactions of Imidazole on Poly(dimethylsiloxane) Elastomer Surfaces:  Attenuated Total Reflectance Fourier Transform Infrared Spectroscopic and Atomic Force Microscopic Studies (1996)

While in the recent studies we utilized microwave plasma energy to react imidazole molecules to cross-linked poly(dimethylsiloxane) (PDMS) surfaces, the issue of surface morphological changes resulting from microwave plasma reactions of imidazole on PDMS surfaces remained open. In this study, we will combine attenuated total reflectance Fourier transform infrared analysis and atomic force microscope measurement to establish inhibition mechanism of silica and morphological changes resulting from both closed and open flow reactor conditions. These studies show that silica containing PDMS is composed of PDMS-rich and silica-rich domains. The aggregations of silica particles in silica-rich domains is responsible for the inhibition of imidazole reactions on PDMS surfaces. Under a closed reactor condition, a multilayer of imidazole rings is formed on PDMS surfaces. On the other hand, in an open flow reactor condition, imidazole ring is opened and grafted to form −(CHCH)n− species on PDMS surfaces.
Latent Problem Solving Analysis as an explanation of expertise effects in a complex, dynamic task (2003)

Latent Problem Solving Analysis (LPSA) is a theory of knowledge representation in complex problem solving that argues that problem spaces can be represented as multidimensional spaces and expertise is the construction of those spaces from immense amounts of experience.The model was applied using a dataset from a longitudinal experiment on control of thermodynamic systems.When the system is trained with expert-level amounts of experience (3 years), it can predict the end of a trial using the first three quarters with an accuracy of .9.If the system is prepared to mimic a novice (6 months) the prediction accuracy falls to .2.If the system is trained with 3 years of practice in an environment with no constraints, performance is similar to the novice baseline.
Inclusion Complex of a Bcl-2 Inhibitor with Cyclodextrin: Characterization, Cellular Accumulation, and in Vivo Antitumor Activity (2010)

Small molecule inhibitors always exhibit poor water solubility due to the inherent hydrophobic property. It is an important challenge when they are developed as a real drug. S1, a structure-specific Bcl-2 inhibitor encountered this issue when moved forward in preclinical development. Herein, we prepared a 1:1 type of S1-gamma-cyclodextrin (S1-gamma-CD) inclusion complex to enhance the solubility. Bioevaluation of this new formulation was carried out totally in water solution. The cell internalization and cellular accumulation of S1-gamma-CD was illustrated by its fluorescence analogue S2. Disruption of Bcl-2/Bax heterodimerization in MCF-7 cells further revealed S1-gamma-CD could reach the subcellular function site. Moreover, the even stronger disruption by S1-gamma-CD than free S1 was found due to the higher local concentrations. Furthermore, the in vivo antitumor activity of S1-gamma-CD was evaluated in the H22 xenograft model. Results showed it exhibited significant antitumor activity with a decrease of tumor size (average tumor volume = 234 +/- 76 mm(3) vs control group, 398 +/- 121 mm(3), P < 0.01, and S1 group, 296 +/- 65 mm(3), P < 0.05), and a much longer survival time (the median time to the end point = 39.9 days vs control group, 29.2 days, P < 0.01). More importantly, the similar disruption of Bcl-2/Bax was found in S1-gamma-CD treated mice and free S1 treated ones. It demonstrated that S1-gamma-CD not only obtains a pharmaceutical level in vivo but also maintains the mechanism-based antitumor ability of S1 itself. It has been identified that cyclodextrin is appropriate to deliver a structure-specific molecule to its subcellular function site without any adverse effects on its mechanism-based potency, in either cultured cells or animals.
Investigation of prototype method in robot application development (2020)

In order to speed up the user evaluation of robot applications, this paper proposes a new method called “Ningen prototype”, with which humans act as a prototype robot and the user evaluation is conducted using it. The effectiveness and issues of this method are discussed based on a preliminary experiment.