gebhart/patrepeval huggingface dataset:
Structural, Spectroscopic, and Electrochemical Studies of Binuclear Manganese(II) Complexes of Bis(pentadentate) Ligands Derived from Bis(1,4,7-triazacyclononane) Macrocycles (2000)

Structural, electrochemical, ESR, and H2O2 reactivity studies are reported for [Mn(dmptacn)Cl]ClO4 (1, dmptacn = 1,4-bis(2-pyridylmethyl)-1,4,7-triazacyclononane) and binuclear complexes of bis(pentadentate) ligands, generated by attaching 2-pyridylmethyl arms to each secondary nitrogen in bis(1,4,7-triazacyclononane) macrocycles and linked by ethyl (tmpdtne, [Mn2(tmpdtne)Cl2](ClO4)2.2DMF, 2), propyl (tmpdtnp, [Mn2(tmpdtnp)Cl2](ClO4)2.3H2O, 3), butyl (tmpdtnb, [Mn2(tmpdtnb)Cl2](ClO4)2.DMF.2H2O, 4), m-xylyl (tmpdtn-m-X, [Mn2(tmpdtn-m-X)-Cl2](ClO4)2, 5) and 2-propanol (tmpdtnp-OH, [Mn2(tmpdtnp-OH)Cl2](ClO4)2, 6) groups. 1 crystallizes in the orthorhombic space group P2(1)2(1)2(1) (No. 19) with a = 7.959(7) A, b = 12.30(1) A, and c = 21.72(2) A; 2, in the monoclinic space group P2(1)/c (No. 14) with a = 11.455(4) A, b = 15.037(6) A, c = 15.887(4) A, and beta = 96.48(2) degrees; 3, in the monoclinic space group P2(1)/c (No. 14) with a = 13.334(2) A, b = 19.926(2) A, c = 18.799(1) A, and beta = 104.328(8) degrees; and [Mn2(tmpdtnb)Cl2](ClO4)2.4DMF.3H2O (4'), in the monoclinic space group P2(1)/n (No. 14) with a = 13.361(3) A, b = 16.807(5) A, c = 14.339(4) A, and beta = 111.14(2) degrees. Significant distortion of the Mn(II) geometry is evident from the angle subtended by the five-membered chelate (ca. 75 degrees) and the angles spanned by trans donor atoms (< 160 degrees). The Mn geometry is intermediate between octahedral and trigonal prismatic, and for complexes 2-4, there is a systematic increase in M...M distance with the length of the alkyl chain. Cyclic and square-wave voltammetric studies indicate that 1 undergoes a 1e- oxidation from Mn(II) to Mn(III) followed by a further oxidation to MnIV at a significantly more positive potential. The binuclear Mn(II) complexes 2-5 are oxidized to the Mn(III) state in two unresolved 1e- processes [MnII2-->MnIIMnIII-->MnIII2] and then to the MnIV state [MnIII2-->MnIIIMnIV-->MnIV2]. For 2, the second oxidation process was partially resolved into two 1e- oxidation processes under the conditions of square-wave voltammetry. In the case of 6, initial oxidation to the MnIII2 state occurs in two overlapping 1e- processes as was found for 2-5, but this complex then undergoes two further clearly separated 1e- oxidation processes to the MnIIIMnIV state at +0.89 V and the MnIV2 state at +1.33 V (vs Fc/Fc+). This behavior is attributed to formation of an alkoxo-bridged complex. Complexes 1-6 were found to catalyze the disproportionation of H2O2. Addition of H2O2 to 2 generated an oxo-bridged mixed-valent MnIIIMnIV intermediate with a characteristic 16-line ESR signal.
Cerebromicrovascular endothelial cells are resistant tol-glutamate (2008)

Cerebral microvascular endothelial cells (CMVECs) have recently been implicated as targets of excitotoxic injury by l-glutamate (l-glut) or N-methyl-d-aspartate (NMDA) in vitro. However, high levels of l-glut do not compromise the function of the blood-brain barrier in vivo. We sought to determine whether primary cultures of rat and piglet CMVECs or cerebral microvascular pericytes (CMVPCs) are indeed sensitive to l-glut or NMDA. Viability was unaffected by 8-h exposure to 1-10 mM l-glut or NMDA in CMVECs or CMVPCs isolated from both species. Furthermore, neither 1 mM l-glut nor NMDA augmented cell death induced by 12-h oxygen-glucose deprivation in rat CMVECs or by 8-h medium withdrawal in CMVPCs. Additionally, transendothelial electrical resistance of rat CMVEC-astrocyte cocultures or piglet CMVEC cultures were not compromised by up to 24-h exposure to 1 mM l-glut or NMDA. The Ca(2+) ionophore calcimycin (5 microM), but not l-glut (1 mM), increased intracellular Ca(2+) levels in rat CMVECs and CMVPCs assessed with fluo-4 AM fluorescence and confocal microscopy. CMVEC-dependent pial arteriolar vasodilation to hypercapnia and bradykinin was unaffected by intracarotid infusion of l-glut in anesthetized piglets by closed cranial window/intravital microscopy. We conclude that cerebral microvascular cells are insensitive and resistant to glutamatergic stimuli in accordance with their in vivo role as regulators of potentially neurotoxic amino acids across the blood-brain barrier.
Aerodynamic Optimization of a Microturbine Inserted in a Magic-Angle Spinning System (2016)

The fluid dynamics of a microturbine system that is applied in a device for chemical and biological analysis—a so-called magic-angle spinning (MAS) probe—is investigated. The drive fluid is pressurized air at ambient temperature provided by nozzles aligned on an intake spiral, driving a Pelton-type microturbine. Computational fluid dynamics (CFD) simulations have been performed and compared with fluid dynamics measurements of the MAS system with 1.3 mm rotor diameter for spinning rates between 23 kHz and 67 kHz. The main optimization criteria of the MAS system are rotor speed and turbine stability and not primarily efficiency, which is standard for turbomachinery applications. In the frame of fabrication tolerances, a sensitivity study has been carried out by varying the nozzles diameter and the nozzle position relative to the rotor. The presented fluid dynamics study of the microturbine system includes the analysis of local fluid flow values such as velocity, temperature, pressure, and Mach number, as well as global quantities like forces and driven torque acting on the turbine. Comparison with the experimental results shows good agreement of the microturbine efficiency. Furthermore, the parameter study of the nozzle diameter reveals optimization potential for this high-speed microturbine system employing a smaller nozzle diameter.
Modeling, Fabrication, and Characterization of Disc on Pillar Structures for Optical Field Enhancement and Extreme Nanofocusing (2013)

Optimization of plasmonic disc on pillar (DOP) structures guided by FDTD simulations, their deterministic fabrication and characterization by both Raman microscopy and dark-field spectroscopy are discussed. SERS enhancement factors exceeding 109 are achieved using optimized DOP structures.
EEG and prognosis of neurologic recovery of dogs under profound hypothermic circulatory arrest (1993)

Deep hypothermia (18-20 degrees C) (DH) during prolonged circulatory arrest and cardiopulmonary bypass is used to repair complex intracardiac lesions and vascular neurosurgical lesions. DH diminishes the risk of ischemic damage and multiorgan failure after circulatory arrest. Profound hypothermia (PH) to 6-7 degrees C has recently been reported to improve the neurological outcome of dogs after 2 h of circulatory arrest. There are no reports of the possible utility of EEG activity to predict the neurological outcome. As a part of a controlled study of cardiopulmonary bypass and 2 h of circulatory arrest we compared EEG recovery to the neurological outcome in 2 groups of dogs: 4 under DH and 4 under PH. All of the dogs under PH had a good outcome: mean neurodeficit score was 6.25/500 in PH and 139.25/500 in DH dogs (P < 0.03); mean histopathological score was 19.25/100 for DH and 47.75/100 in PH dogs (P < 0.03). EEG activity 2 h after reperfusion and starting of rewarming correlated with eventual neurological outcome. EEG variables associated with good outcome were: main final frequency and degree of rhythmicity of the activity. We conclude that PH exerted a protective effect for animals undergoing 2 h of circulatory arrest. EEG was a useful tool for predicting neurological outcome under the studied conditions.
Discovery and Engineered Overproduction of Antimicrobial Nucleoside Antibiotic A201A from the Deep-Sea Marine Actinomycete Marinactinospora thermotolerans SCSIO 00652 (2011)

ABSTRACT Marinactinospora thermotolerans SCSIO 00652, originating from a deep-sea marine sediment of the South China Sea, was discovered to produce antimicrobial nucleoside antibiotic A201A. Whole-genome scanning and annotation strategies enabled us to localize the genes responsible for A201A biosynthesis and to experimentally identify the gene cluster; inactivation of mtdF , an oxidoreductase gene within the suspected gene cluster, abolished A201A production. Bioinformatics analysis revealed that a gene designated mtdA furthest upstream within the A201A biosynthetic gene cluster encodes a GntR family transcriptional regulator. To determine the role of MtdA in regulating A201A production, the mtdA gene was inactivated in frame and the resulting Δ mtdA mutant was fermented alongside the wild-type strain as a control. High-performance liquid chromatography (HPLC) analyses of fermentation extracts revealed that the Δ mtdA mutant produced A201A in a yield ∼25-fold superior to that of the wild-type strain, thereby demonstrating that MtdA is a negative transcriptional regulator governing A201A biosynthesis. By virtue of its high production capacity, the Δ mtdA mutant constitutes an ideal host for the efficient large-scale production of A201A. These results validate M. thermotolerans as an emerging source of antibacterial agents and highlight the efficiency of metabolic engineering for antibiotic titer improvement.
High-Throughput log  P Determination by Ultraperformance Liquid Chromatography: A Convenient Tool for Medicinal Chemists (2008)

Accurate determinations of lipophilicity indices benefit from recent advances in chromatographic sciences such as the launch of ultraperformance liquid chromatography (UPLC). The fast strategy presented here emerges as a powerful method suitable for high-throughput log P measurements of therapeutic compounds in isocratic and gradient modes. Because UPLC columns are highly stable in basic pH conditions, this approach allows a direct lipophilicity estimation of basic compounds in their neutral forms.
A framework for designing update objects to improve server scalability in intermittently synchronized databases (2000)

Article Free Access Share on A framework for designing update objects to improve server scalability in intermittently synchronized databases Authors: Wai Gen Yee College of Computing, Georgia Institute of Technology, 801 Atlantic Drive, Atlanta, GA College of Computing, Georgia Institute of Technology, 801 Atlantic Drive, Atlanta, GAView Profile , Michael J. Donahoo Baylor University, P.O. Box 97356, Waco, TX Baylor University, P.O. Box 97356, Waco, TXView Profile , Shamkant B. Navathe College of Computing, Georgia Institute of Technology, 801 Atlantic Drive, Atlanta, GA College of Computing, Georgia Institute of Technology, 801 Atlantic Drive, Atlanta, GAView Profile Authors Info & Claims CIKM '00: Proceedings of the ninth international conference on Information and knowledge managementNovember 2000 Pages 54–61https://doi.org/10.1145/354756.354787Published:06 November 2000Publication History 4citation388DownloadsMetricsTotal Citations4Total Downloads388Last 12 Months16Last 6 weeks0 Get Citation AlertsNew Citation Alert added!This alert has been successfully added and will be sent to:You will be notified whenever a record that you have chosen has been cited.To manage your alert preferences, click on the button below.Manage my AlertsNew Citation Alert!Please log in to your account Save to BinderSave to BinderCreate a New BinderNameCancelCreateExport CitationPublisher SiteeReaderPDF
One-step processing of spinel ferrites via the high-energy ball milling of binary oxides (2003)

MnZn ferrites have been produced via the high-energy ball milling of binary oxide precursors. The milled ferrites have a nonequilibrium cation site distribution, with an unusually high population of Zn cations on the octahedral sites. The particle size distribution drops precipitously with milling time from 60±1 to ∼14±1 nm at 10 h, but increases to 18.5±1 nm after long durations (20–40 h) concurrent with the formation of nearly pure ferrite. A 1 h anneal at 673 K facilitates a redistribution of cations to their near equilibrium sites. This processing approach circumvents the need for deleterious high-temperature heat treatments that often lead to nonstoichiometries in the resulting ferrites.
Low-altitude hyperspectral observation of paddy using radio-controlled helicopter (2011)

To monitor the chlorophyll content of rice leaves, transparent leave-color monitoring device SPAD; named for the Soil & Plant Analyzer Development, is widely used in Japan. For wide area of paddy, however, it requires lots of elaboration to measure the SPAD values by hand. The objective of this study is to solve this problem by estimating the SPAD values through remote sensing. In rainy season, it is difficult to make use of airborne or satellite image sensors to observe paddy fields. Thus, we made use of a hyperspectral sensor mounted on a low-altitude radio-controlled helicopter, and calculated new indices LVI <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">pure</sub> (Leave-color Verified Index) and LVI <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">mix</sub> using the obtained data to estimate the SPAD values. As a result, the relations between the SPAD value and the estimation index exhibit high correlation: R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.885 for LVI <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">pure</sub> and R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.927 for LVI <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">mix</sub> , which facilitated to obtain "the estimated SPAD value image" from the hyperspectral data.
A 10 kW high-voltage pulse generator for corona plasma generation (2001)

In this article we discuss a 10 kW high-voltage pulse generator for producing corona-induced plasma. The generator mainly consists of a three-step resonant charging circuit switched by thyristors, a transmission line transformer, and a triggered spark-gap switch. Voltage pulses of 30–100 kV with a rise time of about 20 ns, a pulse duration of 50–250 ns, pulse repetition rate of 1–900 pulses per second, energy of up to 12 J/pulse, and an average power of up to 10 kW have been achieved with a total energy transfer efficiency of about 80%–90%. At each frequency, the deviation of the energy per pulse is around 1.0%. Moreover, the generator has been tested for more than 100 h for both industrial demonstrations and laboratory investigations at an average output power of 1–10 kW.
Poly(3-guanidinopropyl methacrylate):  A Novel Cationic Polymer for Gene Delivery (2004)

A cationic polymethacrylate with a guanidinium side group was designed in order to create a polymer with cell membrane-penetrating properties such as Tat or other arginine-rich peptides. The polymer, poly(3-guanidinopropyl methacrylate), abbreviated as pGuaMA, was synthesized by free radical polymerization. The DNA-condensing properties of pGuaMA (Mw 180 kDa) were investigated via dynamic light scattering and zeta potential measurements, and small, positively charged particles (110 nm, +37 mV) were found. It was shown that polyplexes based on pGuaMA were able to transfect COS-7 cells efficiently in the absence of serum, while under the same conditions poly(arginine) (pArg) polyplexes did not show detectable transfection levels. Addition of a membrane-disrupting peptide, INF 7, derived from the influenza virus, to preformed pGuaMA polyplexes did result in approximately 2 times increased transfection levels. DLS, zeta potential measurements, gel electrophoresis, and ethidium bromide displacement measurements indicated that serum induced aggregation of the polyplexes at high polymer/plasmid ratios, while at low polymer/plasmid ratios the polarity of the polyplexes reversed likely due to adsorption of negatively charged proteins on their surface. Likely, the unfavorable interactions of pGuaMA polyplexes with serum proteins is the reason for the absent transfection activity of these polyplexes in the presence of serum. Confocal laser scanning microscopy indicated cellular internalization via endocytosis of both polyplexes and free polymer. Thus, pGuaMA polyplexes enter cells, as reported for other polyplexes, by endocytosis and not, as hypothesized, via direct membrane passage.
Scanning Laser Microscope for Biological Investigations (1971)

The theory and design of a special purpose scanning laser microscope are described. This microscope, particularly suited for biological investigations, is intended for the observation of objects embedded within transparent or translucent bodies, such as nerve cells in an intact brain. Some photographs made with a prototype are shown.
Oscillator Phase Noise compensation using Kalman tracking (2009)

Phase Noise (PN) is a serious challenge in wireless transmission systems as it can cause significant degradation of the system performance. Recent publications propose iterative PN compensation algorithms for single or multicarrier systems. In this paper we will present an unscented Kalman filter PN tracking algorithm working in time domain, which is independent of the underlying system. Furthermore, we propose a reduced complexity tracking algorithm, where we perform an interpolation between the estimated PN samples. Simulation results for an OFDM setup show that by using this technique the system performance can be improved significantly.
Volatile Fatty Acids (VFA) Production and Recovery from Chicken Manure Using a High-Solid Anaerobic Membrane Bioreactor (AnMBR) (2022)

Acidogenic fermentation of chicken manure (CM) for production and recovery of volatile fatty acids (VFA) is an interesting biological waste-to-value approach compared to benchmark organic waste management strategies. Considering the wide range of high value applications of VFA, a semi-continuous immersed anaerobic membrane bioreactor (AnMBR) was applied to boost VFA productivity and yield, while reducing downstream processing stages assisting the recovery of VFA. In this regard, the effect of parameters such as pH and organic loading rates (OLR) on the overall bioconversion and filtration performance was investigated. Thermal-shocked CM was applied both as inoculum and substrate. A very high VFA yield (0.90 g-VFA/g-VS) was obtained in the treatment with no pH control (~8.2) at an OLR of 2 g-VS/(L·d), presenting 24% higher yield compared to that of the controlled pH. Batch assays further demonstrated the enhanced hydrolysis and acidogenesis activities at weak alkaline conditions. A long-term (78 days) fermentation and filtration was successfully performed, where stable membrane filtration performance was experienced for about 50 days under high-solid (suspended solid of 37-45 g/L) and high flux (20 L/(m<sup>2</sup>·h)) conditions. Results suggest that AnMBR of CM is a feasible and promising process for VFA production and recovery.
Improvements in the continuous seismic profiler (1965)

Abstract The continuous seismic profiling system used at the Woods Hole Oceanographic Institution now has (1) an electrical spark sound source which has a maximum stored energy of 100,000 joules and can produce a variety of acoustic pulses with peak pressures of up to 134 db above 1 dyne/cm 2 , at a repetition period of 10 sec, and which has a conversion efficiency (stored electrical energy to sound energy radiated) of 10 percent, (2) a streamlined and uniformly neutrally buoyant line-hydrophone array with a band-pass of 20 to 1,000 cps, and (3) a matched-filter detector that measures the correlation between the reflected signal and the waveform incident on the sea floor in the same frequency range as the reflection.A source whose sonic output can be varied readily makes possible tailoring the resolution of the system for the best display of features of the oceanic crust of varying vertical size. A large reduction in the self-noise of the detector is achieved through the use of streamlined, stable-towing, line-hydrophone arrays which also discriminate against the noises of the towing vessel. A matched-filter detector gives the maximum signal-to-noise ratio obtainable from a linear filter, and an eight-fold improvement over the rectified amplitude presentation formerly used has been obtained. Reflections from 0.8 sec beneath the sea floor in continental shelf areas have been obtained at ship speeds of eleven knots and from 1.8 sec beneath the sea floor in the deep sea at six knots.
Tip-surface forces, amplitude, and energy dissipation in amplitude-modulation (tapping mode) force microscopy (2001)

Amplitude-modulation (tapping mode) atomic force microscopy is a technique for high resolution imaging of a wide variety of surfaces in air and liquid environments. Here by using the virial theorem and energy conservation principles we have derived analytical relationships between the oscillation amplitude, phase shift, and average tip-surface forces. We find that the average value of the interaction force and oscillation and the average power dissipated by the tip-surface interaction are the quantities that control the amplitude reduction. The agreement obtained between analytical and numerical results supports the analytical method.
Modulation of Relaxivity, Suspension Stability, and Biodistribution of Dendronized Iron Oxide Nanoparticles as a Function of the Organic Shell Design (2014)

Nanoparticles (NPs) with a mean diameter of 10 nm are functionalized with three dendrons: D1 a PEGylated PAMAM dendron of generation 0.5, D2 a hydrophilic oligoethyleneglycol‐derivatized dendron (D2) displaying a phosphonic acid at the focal point, and D2–2P the same dendron than D2 but with two phosphonic acid anchoring agents. Their grafting is confirmed by IR spectroscopy and elemental analysis. All dendronized NPs are stable over a long period of time in suspensions in water and in different physiological media and display a mean hydrodynamic diameter smaller than 50 nm whatever the molecule architecture. NMRD profiles and relaxivity measurements highlight the influence of the molecule architecture on the water diffusion close to the magnetic core thus influencing the relaxation properties at low magnetic field. The high hydrophilic architecture of the dendron D2 by contrast to dendron D1 allows maintaining the colloidal stability in different conditions while ensuring a very good accessibility of water molecule close to the magnetic core. Coupling of a fluorescent dye on dendrons have allowed investigating the biodistribution of dendronized NPs, which are found to be quickly eliminated through urinary and hepatobiliary pathways within 4 h. Furthermore, no enhanced permeation and retention effect in tumors can be observed.
Room-temperature coupling of methane with singlet oxygen (2022)

A singlet oxygen involving radical-pathway is reported for room-temperature conversion of methane to ethane with a yield of 647 μmol g −1 h −1 under solar light irradiation.
Using bond graphs in nonlinear simulation problems (1981)

A unique feature of bond-graph techniques is that they provide the modeler with a graphical representa tion of the causality (i.e., the input-output rela tionships) in the underlying system. An understand ing of causality makes the modeler aware of algebraic loops and implicit differential equations at an early stage in the solution process. It also clarifies the effects of adding or deleting features of the model. The modeler can use causal information to create simulation programs for nonlinear systems even when some variables cannot readily be expressed in equation form. The resulting program is equivalent to a set of state equations but contains subroutines instead of algebraic expressions. For many complex systems, using vector bond graphs to represent causal interactions among large subsystems can help the modeler write programs using sets of variables rather than individual variables.