gebhart/patrepeval huggingface dataset:
Dissociation of proton-bound complexes reveals geometry and arrangement of double bonds in unsaturated lipids (2015)

Double bond position and stereochemistry in unsaturated lipids can have profound impact on biological properties and activities but the assignment of these features by mass spectrometry is frequently challenging. Conventional techniques for lipid identification rely on collision-induced dissociation (CID) and are most often unable to differentiate between lipid isomers, particularly those involving double bond position and geometry (i.e., cis and trans). In this study, CID performed on proton-bound complexes of fatty acid methyl esters and iodoaniline (and related reagents) reveals unusual fragmentation patterns. CID products are shown to result from proton transfer and are associated with specific structures of the unsaturated lipids. Notably, CID of these complexes can not only distinguish cis- and trans-fatty acid methyl esters, but also differentiate conjugated double bond arrangements from non-conjugated analogs. Herein, the mechanisms underpinning this unique CID behavior are investigated by stable isotope labeling and are proposed to involve both carbene and free radical intermediates.
Novel synthetic compounds enhance the attractiveness of host-plant volatiles: An opportunity to boost detection and monitoring of Asian citrus psyllid? (2014)

In the absence of pheromone attractants, host-plant volatiles offer the most likely means of improving capture levels of ACP with sticky cards and other types of visual traps.&nbsp; However, developing scent lures that can compete with the attractiveness of actual host-plants, especially those in flush, is challenging.&nbsp; We are developing a new class of synthetic scent lures that may enhance the attractiveness of naturally-occurring host-plant volatiles.&nbsp; These compounds are synthetic ligands that bind to chemosensory proteins (CSPs) found in the olfactory sensilla of target insects.&nbsp; These ligands may mimic naturally-occurring odorants and function as super-stimuli because of their strong affinity to CSPs. In our study, CSPs from ACP antennae were identified based on their reactivity to petitgrain oil (an essential oil extracted from sour orange leaves), an ACP attractant.&nbsp; Two behavioral assays were used to assess the biological activity of several candidate ligands.&nbsp; One assay measured ACP probing frequency into a line of emulsified wax (SPLAT®, ISCA Technologies) containing a test ligand, the other assay measured the retention time of psyllids in an airstream carrying the ligand.&nbsp; One ligand, nicknamed ‘Titan’, was more stimulatory than limonene, a common citrus volatile, while a mixture of Titan and limonene was significantly more stimulatory than either alone.&nbsp; Subsequent assays showed that Titan was as stimulatory to ACP as the odor emitted by flushing sprigs of orange jasmine, a favored host-plant. These results indicate that CSP ligands may synergize the attractiveness of naturally-occurring citrus volatiles and boost their effectiveness as scent lures for ACP.
Split cGAL, an intersectional strategy using a split intein for refined spatiotemporal transgene control in Caenorhabditis elegans (2018)

Bipartite expression systems, such as the GAL4-UAS system, allow fine manipulation of gene expression and are powerful tools for interrogating gene function. Recently, we established cGAL, a GAL4-based bipartite expression system for transgene control in <i>Caenorhabditis elegans</i>, where a single promoter dictates the expression pattern of a cGAL driver, which then binds target upstream activation sequences to drive expression of a downstream effector gene. Here, we report a split strategy for cGAL using the split intein gp41-1 for intersectional control of transgene expression. Split inteins are protein domains that associate, self-excise, and covalently ligate their flanking peptides together. We split the DNA binding domain and transcriptional activation domain of cGAL and fused them to the N terminal of gp41-1-N-intein and the C terminal of gp41-1-C-intein, respectively. In cells where both halves of cGAL are expressed, a functional cGAL driver is reconstituted via intein-mediated protein splicing. This reconstitution allows expression of the driver to be dictated by two promoters for refined spatial control or spatiotemporal control of transgene expression. We apply the split cGAL system to genetically access the single pair of MC neurons (previously inaccessible with a single promoter), and reveal an important role of protein kinase A in rhythmic pharyngeal pumping in <i>C. elegans</i> Thus, the split cGAL system gives researchers a greater degree of spatiotemporal control over transgene expression, and will be a valuable genetic tool in <i>C. elegans</i> for dissecting gene function with finer cell-specific resolution.
A computer technique for producing animated movies (1964)

This paper describes a computer technique used for the production of animated diagram movies. This technique---as implemented with the IBM 7090 computer and the Stromberg-Carlson 4020 microfilm recorder---involves the basic steps of coding and checkout, production computer run, and optical printing from the master film thus produced.
Reverse shoulder arthroplasty for the treatment of three- and four-part fractures of the proximal humerus in the elderly (2007)

We used an inverted shoulder arthroplasty in 43 consecutive patients with a mean age of 78 years (65 to 97) who had sustained a three- or four-part fracture of the upper humerus. All except two were reviewed with a mean follow-up of 22 months (6 to 58). The clinical outcome was satisfactory with a mean active anterior elevation of 97 degrees (35 degrees to 160 degrees ) and a mean active external rotation in abduction of 30 degrees (0 degrees to 80 degrees ). The mean Constant and the mean modified Constant scores were respectively 44 (16 to 69) and 66% (25% to 97%). Complications included three patients with reflex sympathetic dystrophy, five with neurological complications, most of which resolved, and one with an anterior dislocation. Radiography showed peri-prosthetic calcification in 36 patients (90%), displacement of the tuberosities in 19 (53%) and a scapular notch in ten (25%). Compared with conventional hemiarthroplasty, satisfactory mobility was obtained despite frequent migration of the tuberosities. However, long-term results are required before reverse shoulder arthroplasty can be recommended as a routine procedure in complex fractures of the upper humerus in the elderly.
Clinical Significance of Upsloping ST Depression on Resting Electrocardiogram (2015)

Upsloping ST depression in resting electrocardiogram may indicate cardiac ischemia in the presence of active cardiac symptoms. In the absence of ongoing symptoms however, it may be secondary to conditions other than ischemia.
Failure analysis of coated galvanized steel panels (2017)

Purpose The purpose of this paper was to determine the mode and cause of failure of polyester-coated galvanized corrugated steel sheets that exhibited degradation of the coating after seven months into service. Design/methodology/approach Visual inspection and light microscopy revealed the extent of damage exhibited by the panels. Standard metallographic techniques were used to prepare samples obtained from both unused and failed sections. Light microscopy, scanning electron microscopy combined with energy dispersive x-ray spectroscopy and x-ray diffraction techniques were used to study the surface morphology, microstructural features, elemental composition and structure of the samples. Findings The failure occurred in the form of delamination and blistering of coated layer. Presence of solar radiation, humidity and water retention resulted in loss of adhesion, leading to coating delamination and flaking especially at the top surface. The coating at the bottom surface of the panels showed evidence of blistering caused by water vapor differential that existed between the environment and the coating because of prolonged (four months) wet conditions that existed at the manufacturer’s site during storage. Practical implications It is recommended that the coated panels are stored in covered area where direct exposure to atmospheric conditions can be prevented. If open storage is unavoidable, then the use of tarpaulin or plastic sheet as covering and vapor-phase inhibitors was recommended. Originality/value This paper provides an account of failure analysis of metal sheet panels. It identifies the mode and cause of failure and also provides recommendations to avoid such occurrences in the future. The information contained in this paper is useful for plant engineers and project managers working in the metal sheet industry.
Density Functional Study of Fe(CO)3 and Fe(CO)3(L) with H2 and C2H4, where L = H2 or C2H4:  Reactions Relevant to Olefin Hydrogenation (2005)

The bonding and geometries of H2Fe(CO)3, H2Fe(CO)3(C2H4), and HFe(CO)3(C2H5), which are species relevant to iron carbonyl-catalyzed olefin hydrogenation, are analyzed using density functional theory (DFT). These calculations indicate that H2Fe(CO)3 and H2Fe(CO)3(C2H4) are respectively triplet and singlet dihydrogen complexes with H2Fe(CO)3(C2H4) lower in energy than HFe(CO)3(C2H5) by a modest amount (10.2 kcal/mol with BP86/LACV3P**). Further, it is likely that when H2Fe(CO)3(C2H4) forms, it can rearrange to form the HFe(CO)3(C2H5) complex. The reductive elimination of C2H6 from HFe(CO)3(C2H5) is exothermic, whether it is accompanied by or precedes ethylene addition.
The Contribution of Storage Medium and Membranes in the Microwave Dielectric Response of Packed Red Blood Cells Suspension (2020)

During cold storage, packed red blood cells (PRBCs) undergo slow detrimental changes that are collectively termed storage lesion. The aging of the cells causes alterations in the composition of the storage-medium in the PRBC unit. In this paper, we present the comparison of the dielectric response of water in the primary (fresh) storage medium (citrate phosphate dextrose adenine solution, CPDA-1) versus the storage medium from three expired units of PRBCs. Dielectric response of the water molecules has been characterized by dielectric spectroscopy technique in the microwave frequency band (0.5–40 GHz). The dominant phenomenon is the significant increase of the dielectric strength and decrease the relaxation time τ for the samples of the stored medium in comparison with the fresh medium CPDA-1. Furthermore, we demonstrated that removing the ghosts from PRBC hemolysate did not cause the alteration of the dielectric spectrum of water. Thus, the contribution associated with water located near the cell membrane can be neglected in microwave dielectric measurements.
Controlling factor for maximum tensile stress and elongation of aluminum alloy during partial solidification (2019)

To predict hot tearing of direct chill casting ingot, both the tensile constitutive behavior and elongation of alloy are inevitable during partial solidification. For predicting both the maximum true stress σss and the elongation εelong regardless of alloy systems, their dominant factor was examined in terms of the solidification microstructure. For an Al–Mg and an Al–Cu alloys, (i) temperature T dependences of the maximum true stress and elongation (σss=f(T) and εelong=f(T)) and (ii) dihedral angle θ of liquid phase formed at grain boundary were measured experimentally. Then, fraction of solid cohesion C was determined by the Campbell’s model using the angle. Firstly, the solid fraction dependence of the tensile properties (σss=f(fs) and εelong=f(fs)) were compared between the two alloys. The two dependences differ with each other. Secondly, the fraction of solid cohesion dependences of the tensile properties (σss=f(C) and εelong=f(C)) were compared and the result shows that the two dependences were consistent with each other. The fraction of solid cohesion enables to explain the difference in solid fraction dependence of the tensile properties for the two alloys. The result demonstrates that the dihedral angle should be essential to predict the two tensile properties of alloy during partial solidification.
Kinetics and Mechanism of the Ammonia Pressure Leaching of Laterite Ore Containing Nickel (1974)

In the presence of oxygen more than an atmospheric pressure, laterite ore containing nickel which is previously reduced dissolves in a NH3–(NH4)2SO4 solution by the following reaction: Ni·Fe+O2+(n+m−4)NH3+4NH4+→Ni(NH3)n2++Fe(NH3)m2++2H2O where n and m are the integral numbers between 1 and 6, respectively. In the current investigation, the kinetics of this reaction has been examined by changing the concentrations of NH3 and NH4+ ion, partial pressure of oxygen, stirring velocity, temperature, and surface area. The leaching reaction of laterite ore in a solution containing both ammonia and ammonium sulfate is shown to be the zero-th order, because of the linearity found in the leaching time curve. The leaching reaction is accelerated by increasing temperature and stirring the leaching solution. The apparent activation energy calculated from the Arrhenius plots is 4690 cal/mol. The leaching rate is also proportional to the surface area and the partial pressure of oxygen. Therefore, the transport process of the dissolved oxygen in the leaching solution is assumed to be the rate-determining step of the leaching reaction and the chemical process may be much faster than the diffusion rate of oxygen. In addition, the leaching reaction of laterite ore is well explained by an electrochemical mechanism, and the cathodic reaction of oxygen is found to be the rate-determining step of the leaching reaction.According to the experimental results obtained, the leaching rate equation for laterite ore containing nickel in a NH3–(NH4)2SO4 solution under the presence of pressurized oxygen is as follows:Leachingrate=K·S·Po2·V(x)·e−4690⁄RTwhere K is the rate constant, S the surface area of the laterite ore reduced, Po2 the partial pressure of oxygen, kg/cm2, V(x) the stirring velocity, rev/min (x is unknown because the sample is in the pulverized state), R the gas constant, and T the absolute temperature.
Changes in Pyruvate Dehydrogenase Complex Activity during and following Severe Insulin-Induced Hypoglycemia (1991)

The effect of severe insulin-induced hypoglycemia on the activity of the pyruvate dehydrogenase enzyme complex (PDHC) was investigated in homogenates of frozen rat cerebral cortex during burst suppression EEG, after 10, 30, and 60 min of isoelectric EEG, and after 30 and 180 min and 24 h of recovery following 30 min of hypoglycemic coma. Changes in PDHC activity were correlated to levels of labile organic phosphates and glycolytic metabolites. In cortex from control animals, the rate of [1-14C]pyruvate decarboxylation was 7.1 +/- 1.3 U/mg of protein, or 35% of the total PDHC activity. The activity was unchanged during burst suppression EEG whereas the active fraction increased to 81-87% during hypoglycemic coma. Thirty minutes after glucose-induced recovery, the PDHC activity had decreased by 33% compared to control levels, and remained significantly depressed after 3 h of recovery. This decrease in activity was not due to a decrease in the total PDHC activity. At 24 h of recovery, PDHC activity had returned to control levels. We conclude that the activation of PDHC during hypoglycemic coma is probably the result of an increased PDH phosphatase activity following depolarization and calcium influx, and allosteric inhibition of PDH kinase due to increased ADP/ATP ratio. The depression of PDHC activity following hypoglycemic coma is probably due to an increased phosphorylation of the enzyme, as a consequence of an imbalance between PDH phosphatase and kinase activities. Since some reduction of the ATP/ADP ratio persisted and since the lactate/pyruvate ratio had normalized by 3 h of recovery, the depression of PDHC most likely reflects a decrease in PDH phosphatase activity, probably due to a decrease in intramitochondrial Ca2+.
Commitment-based interoperation for e-commerce (2002)

Successful e-commerce presupposes techniques by which autonomous trading entities can interoperate. Although much progress has been made on data exchange and payment protocols, interoperation in the face of autonomy is still inadequately understood. Current techniques, designed for closed environments, support only the simplest interactions. We develop a multiagent approach for interoperation in e-commerce. This approach consists of: (1) a behavioral model to specify autonomous, heterogeneous agents representing different trading entities (businesses, consumers, brokers), (2) a metamodel that provides a language (based on XML) for specifying a variety of service agreements and accommodating exceptions and revisions, and (3) an execution architecture that supports persistent and dynamic (re)execution.
ChemInform Abstract: Chemical Destruction of PCBs. (1993)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Electrical Resistivity of Additively Manufactured Silicon Steel for Electrical Machine Fabrication (2019)

Additive manufacturing, commonly labeled as 3D printing is an essential component of the next industrial revolution, enabling both unprecedented fabrication freedom and streamlined production and logistics. Traditionally, the electrical machine cores are stacked from varnished soft magnetic laminations, which deliver reduced eddy and hysteresis losses during machine operation. Presently, dedicated metal printing platforms can produce industrial grade homo-material metal components, promoting the fabrication of machines with highly complex topologies, but also increasing the eddy current induced in these components, due to lack of laminated structure. In this paper, we present experimental resistivity measurement results of 3% and 6.5% silicon content steel fabricated with selective laser melting.
Flow Chemistry, Continuous Processing, and Continuous Manufacturing: A Pharmaceutical Perspective (2017)

Abstract Flow chemistry has become a vibrant area for research over the past decade. This perspective is intended to capture insights on how these advances have and will continue to impact the development and commercialization of active pharmaceutical ingredients. A series of chemistry examples from a number of pharmaceutical companies will highlight the influence of flow chemistry on this industry.
A Fluorescence Light-Up Ag Nanocluster Probe That Discriminates Single-Nucleotide Variants by Emission Color (2012)

Rapid and precise screening of small genetic variations, such as single-nucleotide polymorphisms (SNPs), among an individual's genome is still an unmet challenge at point-of-care settings. One crucial step toward this goal is the development of discrimination probes that require no enzymatic reaction and are easy to use. Here we report a new type of fluorescent molecular probe, termed a chameleon NanoCluster Beacon (cNCB), that lights up into different colors upon binding SNP targets. NanoCluster Beacons (NCBs) are collections of a small number of Ag atoms templated on single-stranded DNA that fluoresce strongly when placed in proximity to particular DNA sequences, termed enhancers. Here we show the fluorescence emission color of a NCB can change substantially (a shift of 60-70 nm in the emission maximum) depending upon the alignment between the silver nanocluster and the DNA enhancer sequence. Chameleon NCBs exploit this color shift to directly detect SNPs, based on the fact that different SNPs produce a different alignment between the Ag nanocluster and the enhancer. This SNP detection method has been validated on all single-nucleotide substitution scenarios in three synthetic DNA targets, in six disease-related SNP targets, and in two clinical samples taken from patients with ovarian serous borderline tumors. Samples with single-nucleotide variations can be easily identified by the naked eye under UV excitation, making this method a reliable and low-cost assay with a simple readout format.
Utility-guided Clustering-based Transaction Data Anonymization (2012)

Transaction data about individuals are increasingly collected to support a plethora of applications, spanning from marketing to biomedical studies. Publishing these data is required by many organizations, but may result in privacy breaches, if an attacker exploits potentially identifying information to link individuals to their records in the published data. Algorithms that prevent this threat by transforming transaction data prior to their release have been proposed recently, but they may incur significant utility loss due to their inability to: (i) accommodate a range of different privacy requirements that data owners often have, and (ii) guarantee that the produced data will satisfy data owners’ utility requirements. To address this issue, we propose a novel clustering-based framework to anonymizing transaction data, which provides the basis for designing algorithms that better preserve data utility. Based on this framework, we develop two anonymization algorithms which explore a larger solution space than existing methods and can satisfy a wide range of privacy requirements. Additionally, the second algorithm allows the specification and enforcement of utility requirements, thereby ensuring that the anonymized data remain useful in intended tasks. Experiments with both benchmark and real medical datasets verify that our algorithms significantly outperform the current state-of-the-art algorithms in terms of data utility, while being comparable in terms of efficiency.
ROTATIONAL AND HYPERFINE STRUCTURE IN THE $\bar{B}- \bar{X}$ TRANSITION OF NIOBIUM METHYLIDYNE, NbCH (1999)

Author Institution: Department of Chemistry, University of Kentucky; Department of Chemistry, University of British Columbia
Measuring television transposer intermodulation distortion (1988)

The authors examine the behavior of the intermodulation (IM) level during one line period and propose a measuring method allowing the use of a standard or a modified color-bar test signal. The latter enables the nonlinearity of the transposer to be minimized in the line synchronization region, and this is shown to minimize vision/sound crossmodulation. Differential gain and phase can also be optimized. Measurements indicate that minimization of the IM level with the three-tone method often causes unacceptable IM limits at other colors. The measurement technique is based on sampling the demodulated color-bar signal for short intervals corresponding to a selected color. This allows the simultaneous measurement of IM level at seven different points on the transposer's characteristic.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>