gebhart/patrepeval huggingface dataset:
Metal element multiply bonded group 6 complexes with 1,3-N,O-donor ligands (2019)

This thesis discusses the synthesis and characterization of group 6 complexes that have metal element multiple bonds and 1,3-N,O-donor ligands. Furthermore, the evaluation of the metal-ligand interactions, including hemilability and metal-ligand cooperativity in E-H bond activation processes (where E=C or N), of the 1,3-N,O-donor ligands that resulted in reactivity of the metal element multiple bonds is reported. The 1,3-N,O-donor ligands in this thesis include amidates and pyridonates. The 1,3-N,O-donor ligands were installed on group 6 metals directly from the 1,3-N,O-proligands or as deprotonated sodium salts of the 1,3-N,O-proligands, by protonolysis or salt metathesis reactions respectively. Complexes such as di(1,3-N,O-chelate)bis(t-butylimido)tungsten and di(1,3-N,O-chelate)bis(dimethylamido)molybdenum, were synthesized by protonolysis reactions in chapters 2 and 4 respectively. In chapter 3 di(1,3-N,O-ligated)(neopentylidene)(oxo)tungsten complexes were synthesized by both protonolysis and salt metathesis reactions. These group 6 complexes with 1,3-N,O-donor ligands were characterized by single crystal X-ray diffraction, and in solution by multinuclear NMR spectroscopies, among other analytical methods. The solid-state molecular structures showed κ²-N,O, κ¹-O and µ²-N,O bonding modes, highlighting the flexibility of the 1,3-N,O-donor ligands. Solution NMR spectroscopy showed fluxional 1,3-N,O-donor ligands in all complexes at elevated temperatures, further highlighting the hemilability of these ligands. Throughout this thesis, pyridonate ligands showed more dynamic hemilability relative to amidate ligands. In chapter 2 pyridonate ligands were observed to have κ²-N,O, κ¹-O and µ²-N,O bonding modes in the solid state, whereas amidate ligands where exclusively bound in a κ²-N,O in the solid state. Variable temperature ¹H-NMR spectroscopy demonstrated that pyridonate ligands were fluxional at temperatures above -40 °C, whereas amidate ligands were fluxional at elevated temperatures (&gt;60 °C). The steric parameters of 1,3-N,O-donor ligands influence how the ligands prefer to bond to the metal. Furthermore the steric demand also influences the hemilability of the 1,3-N,O-donor ligands. The differences in the electronic parameters between amidate and pyridonate ligands influences their hemilability, where pyridonates exhibit more dynamic hemilability in part due to the aryloxy imine motif. The metal-ligand cooperativity of the hemilabile 1,3-N,O-donor ligands towards E-H bond activations (where E=C or N) is reported in this thesis and applications of these processes are discussed.
Multiple deletions of mitochondrial DNA are associated with the decline of motility and fertility of human spermatozoa (1998)

Sperm motility is one of the major determinants of male fertility and is required for successful fertilization. In a previous study, we demonstrated that the occurrence and accumulation of the 4977 bp deletion of mitochondrial DNA (mtDNA) is associated with diminished fertility and motility of human spermatozoa. The possible relationship between multiple deletions of mtDNA and the decline of fertility and motility in human spermatozoa was further explored in 36 subjects including subfertile and infertile males in this study. Using long-range polymerase chain reaction (PCR), we confirmed the 4977 bp deletion and identified two novel deletions of 7345 and 7599 bp of mtDNA in the spermatozoa with poor motility. We used Percoll gradients to fractionate spermatozoa with differing motility, and then screened for two novel large-scale deletions of the mtDNA. The results showed that the ratio of the deleted mtDNA in the spermatozoa with poor motility and diminished fertility were significantly higher than those in the spermatozoa with good motility and fertility. In addition, we found that the frequencies of the three large-scale deletions in the spermatozoa from patients with primary infertility and oligoasthenozoospermia were higher than those of the fertile males. Our findings suggest that mtDNA deletions may play an important role in some pathophysiological conditions of human spermatozoa.
Ca2+ Influx, But Not Ca2+ Release From Internal Stores, Is Required for the PACAP-Induced Increase in Excitability in Guinea Pig Intracardiac Neurons (2005)

Mechanisms modulating the pituitary adenylate cyclase activating polypeptide (PACAP)-induced increase in excitability have been studied using dissociated guinea pig intrinsic cardiac neurons and intact ganglion preparations. Measurements of intracellular calcium (Ca2+) with the fluorescent Ca2+ indicator dye fluo-3 indicated that neither PACAP nor vasoactive intestinal polypeptide (VIP) at either 100 nM or 1 microM produced a discernible elevation of intracellular Ca2+ in dissociated intracardiac neurons. For neurons in ganglion whole mount preparations kept in control bath solution, local application of PACAP significantly increased excitability, as indicated by the number of action potentials generated by long depolarizing current pulses. However, in a Ca2+ -deficient solution in which external Ca2+ was replaced by Mg2+ or when cells were bathed in control solution containing 200 microM Cd2+, PACAP did not enhance action potential firing. In contrast, in a Ca2+ -deficient solution with Ca2+ replaced by strontium (Sr2+), PACAP increased excitability. PACAP increased excitability in cells treated with a combination of 20 microM ryanodine and 10 mM caffeine to interrupt release of Ca2+ from internal stores. Experiments using fluo-3 showed that ryanodine/caffeine pretreatment eliminated subsequent caffeine-induced Ca2+ release from intracellular stores, whereas exposure to the Ca2+ -deficient solution did not. In dissociated intracardiac neurons voltage clamped with the perforated patch recording technique, 100 nM PACAP decreased the voltage-dependent barium current (IBa). These results show that, in the guinea pig intracardiac neurons, the PACAP-induced increase in excitability apparently requires Ca2+ influx through Cd2+ -sensitive calcium permeable channels other than voltage-dependent Ca2+ channels, but not Ca2+ release from internal stores.
Genetic Variation of the Bloom-Forming CyanobacteriumMicrocystis aeruginosawithin and among Lakes: Implications for Harmful Algal Blooms (2005)

To measure genetic variation within and among populations of the bloom-forming cyanobacterium Microcystis aeruginosa, we surveyed a suite of lakes in the southern peninsula of Michigan that vary in productivity (total phosphorus concentrations of approximately 10 to 100 microg liter(-1)). Survival of M. aeruginosa isolates from lakes was relatively low (i.e., mean of 7% and maximum of 30%) and positively related to lake total phosphorus concentration (P = 0.014, r2 = 0.407, n = 14). In another study (D. F. Raikow, O. Sarnelle, A. E. Wilson, and S. K. Hamilton, Limnol. Oceanogr. 49:482-487, 2004), survival rates of M. aeruginosa isolates collected from an oligotrophic lake (total phosphorus of approximately 10 mug liter(-1) and dissolved inorganic nitrogen:total phosphorus ratio of 12.75) differed among five different medium types (G test, P of <0.001), with higher survival (P = 0.003) in low-nutrient media (28 to 37% survival) than in high-nutrient media. Even with the relatively low isolate survivorship that could select against detecting the full range of genetic variation, populations of M. aeruginosa were genetically diverse within and among lakes (by analysis of molecular variance, Phi(sc) = 0.412 [Phi(sc) is an F-statistic derivative which evaluates the correlation of haplotypic diversity within populations relative to the haplotypic diversity among all sampled populations], P = 0.001), with most clones being distantly related to clones collected from lakes directly attached to Lake Michigan (a Laurentian Great Lake) and culture collection strains collected from Canada, Scotland, and South Africa. Ninety-one percent of the 53 genetically unique M. aeruginosa clones contained the microcystin toxin gene (mcyA). Genotypes with the toxin gene were found in all lakes, while four lakes harbored both genotypes possessing and genotypes lacking the toxin gene.
A Study of Adherent Oxide Scales, (1985)

Sulfur is an indigenous impurity present at tramp levels within nickel base alloys. Precipitated sulfides are identified within NiCrA1 and NiCra1Y alloys. Auger studies show that sulfur segregates to free surfaces. Sulfur is identified at the critical oxide scale metal interface. The addition of sulfur as ferric sulfide to NiCrA1+Y causes the alloy to form non-protective oxide scales which readily spall. The addition of sulfur as Yteabium sulfide to NiCrA1+Y causes the normally protective oxide scale to spall. Sulfur causes the oxide scale to spall. Sulfur is present at the scale-metal interface in compounds and elemental form. Based upon the ESCA studies, the approximate steady state composition of the overall sulfur peak is 20 a/o elemental sulfur and 80 a/o sulfide. In summary, a new and different mechanism is proposed. It is proposed that the alumina scale that forms on NiCrA1 alloys are quite adherent. Sulfur in the alloy segregates to and weakens the bonds at the oxide scale-metal interface. The role of the reactive materials which promote oxide scale adherence is to interact with and form stable compounds thereby decrease the migration and concentration of sulfur to the critical oxide scale-metal interface.
Effect of Electronic Properties of Catalysts for the Oxidative Coupling of Methane on Their Selectivity and Activity (1994)

Abstract The oxidative coupling of methane (OCM) to higher hydrocarbons may eventually become an interesting alternative for the chemical utilization of natural gas. Extensive studies have been conducted since the works of Keller and Bhasin [l] and of Hinsen and Baerns [2].
Theory, Guidance, and Flight Control for High Maneuverability Projectiles (2014)

Abstract : This report examines the problem of enhancing maneuverability of gun-launched munitions using low-cost technologies. The fundamental theory underpinning guided-projectile flight systems, including nonlinear equations of motion for projectile flight, aerodynamic modeling, actuator dynamics, and measurement modeling, is outlined. Manipulation of these nonlinear models into linear system models enables airframe stability investigation and flight control design. A basic framework for low-cost guidance, navigation, and control of high-maneuverability projectiles is proposed. High-fidelity modeling of system dynamics is critical to accommodating low-cost technologies in flight control. Theory was implemented in simulation and exercised for a guided-projectile system. Results demonstrate essential features of this multidisciplinary design problem and identify critical trade study parameters. Monte Carlo analysis indicated that the cost associated with measurements of a threshold accuracy rather than actuation technologies prescribes guided-system performance.
Impact of surgical excision of lesions on pain in a rat model of endometriosis (2014)

In this preclinical model, we demonstrate that endometriosis pain is alleviated by surgical excision of the ectopic lesion or drainage of its cysts, providing support for the clinical observation that endometriosis pain is dependent upon the ongoing presence of the lesions.
Development of a Scale Inhibitor for Zr-Crosslinked Seawater Systems: A Case History of Successful Testing to Failure and Field Applications (2016)

Abstract The development of deepwater, high temperature fracturing fluids for continued operations in the most challenging offshore environments in the world led to the need for high performance scale inhibitor additives to be developed. Many conventional scale inhibitors were either not compatible with the fluid (typically due to chelation of the zirconium cross-linker) or were not thermally stable at 350°F or above. The requirement was to have a scale inhibitor that could inhibit both carbonate and sulfate scales, even at the elevated pH found in the frac fluid system. The scale inhibitor also needed to be suitable for deployment into both sandstone and carbonate reservoirs and be able to protect the near wellbore from formation damage caused by the injected fluids. Furthermore, the scale inhibitor was required to provide ongoing protections to the formation after fracture fluid flowback by exhibiting favorable adsorption / desorption behavior. This unique combination of requirements meant a back to basics approach needed to be taken and structure performance relationships developed for the main types of classic scale inhibitor chemistry functional groups. The test methods employed and chemistry of products tested are reported in this paper. Details of the hydraulic fracturing fluid compatibility testing highlight the significant effect the wrong choice of chemical can have on rheology over a range of temperatures. Performance testing shows the effect that even small concentrations of zirconium can have on scale formation and inhibition at elevated pH. Very enlightening SEM images and EDX analysis of the solids formed show a complex interaction between the scale inhibitor, zirconium concentration and pH. The lessons learned from this development and case history will provide invaluable insights into the development of future fracture fluid packages, which are needing higher amounts of scale inhibitor as fracturing is occurring in more saline, higher temperature and pressure shale plays.
Cleaving direct-laser-written microstructures on demand (2017)

Using an advanced functional photoresist we introduce direct-laser-written (DLW) 3D microstructures capable of complete degradation on demand. The networks consist exclusively of reversible bonds, formed by irradiation of a phenacyl sulfide linker, giving disulfide bonds in a radical-free step-growth polymerization via a reactive thioaldehyde. The bond formation was verified in solution by ESI-MS. To induce cleavage, dithiothreitol causes a thiol–disulfide exchange, erasing the written structure. The mild cleavage of the disulfide network is highly orthogonal to other, for example, acrylate-based DLW structures. To emphasize this aspect, DLW structures were prepared incorporating reversible structural elements into a non-reversible acrylate-based standard scaffold, confirming subsequent selective cleavage. The high lateral resolution achievable was verified by the preparation of well-defined line gratings with line separations of down to 300 nm.
A Randomized, Double-Blind, Active-Control, Noninferiority, Multicenter, Phase 4 Study to Evaluate the Efficacy and Safety of Esomeprazole/Sodium Bicarbonate 20/800 mg in Patients with Nonerosive Gastroesophageal Reflux Disease (2022)

Esoduo<sup>Ⓡ</sup> is as effective and safe as Nexium<sup>Ⓡ</sup> for managing typical symptoms in patients with NERD (ClinicalTrial.gov identifier: NCT03928470).
Effect of Styrene−Maleic Anhydride Copolymers on Adhesion between Amorphous Polyamide and Polystyrene (1998)

This work was supported by the Korea Science and Engineering Foundation (KOSEF) under Grant 94-0520-02-3.
Valorization of Lignin Waste: Carbons from Hydrothermal Carbonization of Renewable Lignin as Superior Sorbents for CO2 and Hydrogen Storage (2015)

This report presents the preparation of renewable carbons from hydrothermally carbonized lignin waste. The hydrothermally carbonized mineral-free lignin-derived hydrochar was activated with KOH to yield carbons with surface area of 1157–3235 m2 g–1 and pore volume of 0.59–1.77 cm3 g–1. Activation at KOH/carbon = 2, generates highly microporous carbons (≥97% micropore surface area and 93% micropore volume), which exhibit excellent CO2 uptake capacity; up to 4.6 mmol g–1 at 1 bar and 25 °C, and 17.3 mmol g–1 at 20 bar and 25 °C, whereas at 0 °C and 1 bar, they store up to 7.4 mmol g–1. Activation at KOH/carbon = 4 can generate carbons with surface area and pore volume of up to 3235 m2 g–1 and 1.77 cm3 g–1, respectively, which have hydrogen uptake of up to 6.2 wt % at −196 °C and 20 bar. The simplicity of hydrothermal carbonization in generating hydrochars suitable for activation from readily available lignin waste, without the need for a demineralization step, makes these carbons attractive as gas storage materials for energy related applications. Furthermore, the lignin-derived carbons offer advantages with respect to attainable porosity and gas storage capacity compared to other forms of biomass (e.g., cellulose)-derived carbons.
Compact resonant integrated microfluidic refractometer (2006)

We introduce a class of highly compact refractometers integrated onto a planar microfluidic geometry that demonstrates high resolution refractive index measurements in 50μm fluid channels utilizing a Fabry–Perot cavity formed between resonant Bragg grating reflectors. This cavity forms a resonant peak in the transmission spectrum which is dependent upon the refractive index of the fluid in the microfluidic channel. We demonstrate this class of refractometer using optical fiber Bragg gratings; to provide high resolution, intracavity losses are minimized using integrated collimating optics. The refractometer can resolve refractive index changes of 0.2% and is simulated using coupled mode theory.
Expression of HOXB2, a Retinoic Acid Signaling Target in Pancreatic Cancer and Pancreatic Intraepithelial Neoplasia (2005)

We identified aberrant expression of RA signaling components in pancreatic cancer, including HOXB2, which was expressed in a proportion of PanIN lesions. Ectopic expression of HOXB2 was associated with a poor prognosis for all patients with pancreatic cancer and was an independent predictor of survival in patients who underwent resection.
Poster abstract: a harmony of sensors: achieving determinism in multi-application sensor networks (2014)

Several concurrent applications running on a sensor network may cause a node to transmit packets at distinct periods, which increases the radio-switching rate and has significant impact in terms of the overall energy consumption. We propose to batch the transmissions together by defining a harmonizing period to align the transmissions from multiple applications at periodic boundaries. This harmonizing period is then leveraged to design a distributed protocol called Network-Harmonized Scheduling (NHS) that coordinates transmissions across nodes and provides real-time guarantees in a multi-hop network.
Controlled-Release Technology (1987)

During the past two decades, significant advances have been made in the area of controlled release as evidenced by an increasing number of patents, publications, as well as commercial controlled-release products for the delivery of a variety of bioactive agents ranging from pharmaceutical to agricultural and veterinary compounds. This proliferation of interest is a reflection of the growing awareness that by achieving predictable and reproducible release rates of bioactive agents, particularly pharmaceuticals, to the target environment for a desired duration, optimum biological responses, prolonged efficacy, decreased toxicity as well as reduction of required dose level as compared to the conventional mode of delivery can be effectively achieved.
Dynamics in Rhinoplasty (2000)

Nasal dynamics were studied on 87 patients undergoing rhinoplasty of one zone or two distant nasal zones. Statistical analysis of the results revealed that reduction of the nasion area, besides setting the soft tissue back, gave the appearance of increased intercanthal distance and lengthened the nose. Reduction of the nasal bridge resulted in a wider appearance on frontal view and a cephalically rotated tip on profile. Augmentation of the bridge affected the nose reversely. Tip cephalad rotation was achieved by resecting one of the three areas: the cephalad portion of the lower lateral cartilages (affecting the rims more), the caudal septum (affecting the central portion more), and the caudal portion of the medial crura of the lower lateral cartilages (affecting the central portion only). Resection of the alar base not only narrowed the nostrils but also moved the alar rim caudally. Furthermore, it reduced tip projection when a large alar base reduction was done. Reduction of the nasal spine increased the upper lip length on profile and reduced tip projection when a large reduction took place. Significant reduction in caudal nose projection resulted in widening of the alar base.
Greater Sensitivity to Drought Accompanies Maize Yield Increase in the U.S. Midwest (2014)

A key question for climate change adaptation is whether existing cropping systems can become less sensitive to climate variations. We use a field-level data set on maize and soybean yields in the central United States for 1995 through 2012 to examine changes in drought sensitivity. Although yields have increased in absolute value under all levels of stress for both crops, the sensitivity of maize yields to drought stress associated with high vapor pressure deficits has increased. The greater sensitivity has occurred despite cultivar improvements and increased carbon dioxide and reflects the agronomic trend toward higher sowing densities. The results suggest that agronomic changes tend to translate improved drought tolerance of plants to higher average yields but not to decreasing drought sensitivity of yields at the field scale.
[Effect of a combination of vitamin and amino acid on the hair growth]. (1977)

&lt;p&gt;In this paper, an efficient ghost-cell based immersed boundary method is introduced to perform direct numerical simulation (DNS) of mass transfer problems in particulate flows. The fluid-solid coupling is achieved by implicit incorporation of the boundary conditions into the discretized momentum and species conservation equations of the fluid phase. Taking the advantage of a second order quadratic interpolation scheme utilized in the reconstruction procedures, the unique feature of this ghost-cell based immersed boundary method is its capability to handle mixed boundary conditions at the exact position of the particle surface as encountered in systems with interplay between surface reactions and diffusion. A fixed Eulerian grid is used to solve the conservation equations for the entire computational domain. Following a detailed verification of the method in the limiting case of unsteady molecular diffusion without convection, we apply our method to study fluid-particle mass transfer for flow around a single sphere and a dense stationary array consisting of hundreds of spheres over a range of Damköhler numbers.&lt;/p&gt;
Improved electrode material for deep brain stimulation (2016)

Deep brain stimulation (DBS) devices have been implanted for treatment of basic tremor, Parkinson's disease and dystonia. These devices use electrodes in contact with tissue to deliver electrical pulses to targeted cells, to elicit specific therapeutic responses. In general, the neuromodulation industry has been evolving towards smaller, less invasive electrodes. However, current electrode materials do not support small sizes without severely restricting the stimulus output. Hence, an improved electrode material will benefit present and future DBS systems. In this study, five DBS leads were modified using a cost-effective and materials-efficient process for applying an ultra-low impedance platinum-iridium alloy coating. One DBS lead was used for insertion test and four DBS leads were chronically pulsed for 12 weeks. The platinum-iridium alloy significantly improved the electrical properties of the DBS electrodes and was robust to insertion into brain and to 12 weeks of chronic pulsing.