gebhart/patrepeval huggingface dataset:
Carboxylate-Substituted Alumoxanes as Processable Precursors to Transition Metal−Aluminum and Lanthanide−Aluminum Mixed-Metal Oxides:  Atomic Scale Mixing via a New Transmetalation Reaction (1996)

Carboxylate−alumoxanes, [Al(O)x(OH)y(O2CR)z]n, have been uniformly doped with a transition metal or lanthanide. Thermolysis of the doped alumoxanes yields homogeneous mixed-metal oxides. The carboxylate−alumoxanes were synthesized by the reaction of boehmite, [Al(O)(OH)]n, with either hexanoic, octanoic, methacrylic, or [(methoxyethoxy)ethoxy]acetic acids. Reaction of the carboxylate alumoxane with either a metal acetylacetonate complex, M(acac)3 (M = Mn, La, Er), V(O)(acac)2, or a salt, [NH4]2[Ce(NO3)6] and [NH4]4[Ce(SO4)4], results in transmetalation and the formation of a doped-alumoxane. Upon thermolysis these doped-alumoxanes result in homogeneous mixed-metal oxides. The formation of single-phase materials is similar to that of traditional sol−gel methodologies; however, the alumoxane precursors are indefinitely stable, in solid and solution. In addition, these precursors show no propensity to segregation or polymerization and are readily processed in aqueous or hydrocarbon medium. The stability of the doped alumoxanes and uniformity of the subsequent oxide is a consequence of the atomic level mixing produced by a unique substitution reaction. A transition-metal or lanthanide ion is exchanged for an aluminum ion within the alumoxane nanoclusters and the elimination of Al3+ as Al(acac)3 or [Al(H2O)6]3+. Evidence for this reaction is obtained from NMR and IR spectroscopy. The doped-alumoxane precursors have been characterized by IR and NMR spectroscopy and TG/DTA. The resulting mixed-metal oxide ceramics have been characterized by scanning electron and scanning electron microscopy (SEM), ESR, microprobe analysis, and X-ray diffraction.
Isolation and characterization of a tobacco mosaic virus-inducible <i>myb</i> oncogene homolog from tobacco (1996)

Salicylic acid (SA) plays an important role in signaling the activation of plant defense responses against pathogen attack including induction of pathogenesis-related (PR) proteins. To gain further insight into the SA-mediated signal transduction pathway, we have isolated and characterized a tobacco mosaic virus (TMV)-inducible myb oncogene homolog (myb1) from tobacco. The myb1 gene was induced upon TMV infection during both the hypersensitive response and development of systemic acquired resistance in the resistant tobacco cultivar following the rise of endogenous SA, but was not activated in the susceptible cultivar that fails to accumulate SA. The myb1 gene was also induced by incompatible bacterial pathogen Pseudomonas syringae pv. syringae during the hypersensitive response. Exogenous SA treatment rapidly (within 15 min) activated the expression of myb1 in both resistant and susceptible tobacco cultivars with the subsequent induction of PR genes occurring several hours later. Biologically active analogs of SA and 2,6-dichloroisonicotinic acid (a synthetic functional analog of SA), which induce PR genes and enhanced resistance, also activated the myb1 gene. In contrast, biologically inactive analogs were poor inducers of myb1 gene expression. Furthermore, the recombinant Myb1 protein was shown to specifically bind to a Myb-binding consensus sequence found in the promoter of the PR-1a gene. Taken together, these results suggest that the tobacco myb1 gene encodes a signaling component down-stream of SA that may participate in transcriptional activation of PR genes and plant disease resistance.
Multivalent Protein Polymer MRI Contrast Agents: Controlling Relaxivity via Modulation of Amino Acid Sequence (2010)

Magnetic resonance imaging is a noninvasive imaging modality with high spatial and temporal resolution. Contrast agents (CAs) are frequently used to increase the contrast between tissues of interest. To increase the effectiveness of MR agents, small molecule CAs have been attached to macromolecules. We have created a family of biodegradable, macromolecular CAs based on protein polymers, allowing control over the CA properties. The protein polymers are monodisperse, random coil, and contain evenly spaced lysines that serve as reactive sites for Gd(III) chelates. The exact sequence and length of the protein can be specified, enabling controlled variation in lysine spacing and molecular weight. Relaxivity could be modulated by changing protein polymer length and lysine spacing. Relaxivities of up to approximately 14 mM(-1) s(-1) per Gd(III) and approximately 461 mM(-1) s(-1) per conjugate were observed. These CAs are biodegradable by incubation with plasmin, such that they can be easily excreted after use. They do not reduce cell viability, a prerequisite for future in vivo studies. The protein polymer CAs can be customized for different clinical diagnostic applications, including biomaterial tracking, as a balanced agent with high relaxivity and appropriate molar mass.
Optimization of the pulsed electron avalanche knife for anterior segment surgery (2003)

Precise and tractionless tools are needed for cutting and ablation of ocular tissue in such operations as vitreoretinal surgery, capsulotomy, non-penetrating trabeculectomy and many others. Previously we reported about the Pulsed Electron Avalanche Knife capable of tractionless dissection of soft tissue in liquid media using the 100 ns-long plasma-mediated electric discharges applied via a 25 um inlaid disk electrode. In this work we present a next step in the development of this technique, which dramatically improves its precision, the cutting rate and the scope of applicability. (1) Due to spherical geometry of the discharge with the disk-like microelectrode the width of the cut was equal to its depth. To overcome this limitation we apply now a thin cylindrical electrode where the width and the depth of the cut are controlled independently. (2) Cavitation accompanying the sub-microsecond explosive evaporation was a major limiting factor in precision of this technique. In a new modality we apply bursts of pulses, which allow for much higher energy deposition without increase in the size of the transient vapor cavity. (3) Coagulation regime for blood vessels larger than 25 microns in diameter was not possible in the initial approach. It is now available due to extension of the electrode in one dimension. (4) Increase in pulse duration up to several tens of microseconds allows for reduction in voltage and, consequently, in width of the insulator. This, in turn, enables development of the ultra-thin electrodes that can be applied via an intraocular endoscope or 25 G needles. The new device was found capable of rapidly and precisely dissecting virtually all types of ocular tissue: from soft membranes to cornea and sclera. In addition to vitreoretinal surgery it applications can now expand into anterior chamber surgery including capsulotomy and trabeculectomy.
45.3: Efficient Phosphorescent OLEDs for Warm White And Cool White Lighting Applications (2012)

Abstract We present an all‐phosphorescent warm white OLED pixel with a high efficacy of 63 lm/W and an extended lifetime to LT70=10,000 hours at 3000 cd/m 2 . This device has an Energy Star white color with CIE 1931 (x, y) = (0.469, 0.428), CCT=2703K and a high CRI=89. We also present a PHOLED pixel for potential cooler white lighting applications with CIE 1931 (x, y)=(0.352, 0.369), and CCT=4809K. At 1000 cd/m 2 the power efficacy=57 lm/W.
P2‐009: F‐18 labeled Bis‐dialkylamino‐curcuminoid as a potential amyloid‐beta imaging agent (2011)

Our previous data indicates that CRANAD-5, an analog of curcumin, is able to label amyloid plaques in brain tissues and bind to Abeta aggregates, dimers and monomers in solution. To investigate its in vivo PET imaging potential, we have replaced a N-methyl with a N-(2-[18F]fluoroethyl) group. The curcuminoid N-2-ethane mesylate was radiofluorinated using dry K18F/Kryptofix in DMSO at 120°C for 5 min. Once cooled, the mixture was diluted with water and was passed through a C-18 SepPak. Polar materials were eluted with water and the F-18 curcuminoid was eluted with methylene chloride. The F-18 curcuminoid was purified by normal phase HPLC. Biodistribution was performed in normal mice at 5, 30 and 60 min after intravenously injection of the F-18 probe. PET imaging was performed with APP-PS1 transgenic AD mice and age-matched wild type mice. [18F]Fluoroethylamino curcuminoid can be prepared by this method although dimerization under basic conditions remains a concern. Biodistribution in normal mice showed brain accumulation (DPG): 0.94%, 0.94% and 1.0% at 5, 30, and 60 min, respectively. PET imaging results indicated that transgenic mice had higher probe retention in brain than the control wild type mice. The bis-dialkylamino group enhances brain uptake and stability for this class of compounds. Furthermore, the uptake and retention of F-18 labeled CRANAD-5 in transgenic AD mice indicates that this type of bis-dialkylamino curcuminoid could be a potential PET imaging probe for Alzheimer's disease. Further improvements are underway to study clearance rate and brain uptake.
Efficient and accurate testing of analog-to-digital converters using oscillation-test method (2002)

This paper describes a practical test approach for analog-to-digital converters (ADCs) based on the oscillation-test strategy. The oscillation-test is applied to convert the ADC under test to an oscillator. The oscillation frequencies are able to monitor the ADC conversion rate, differential nonlinearity (DNL) and integral nonlinearity (INL) at each quantization band edge (QBE). Using this method, no analog stimulus should be supplied and therefore the need for a costly precision signal generator is eliminated. Besides, as the oscillation frequency is evaluated using pure digital circuitry, test accuracy is increased. This test approach is not limited to a special kind of ADC. Simulations and practical implementation prove the efficiency of the proposed test approach for ADCs.
Synthesis and Structure—Activity Studies of Antibacterial Oxazolidinones Containing Dihydrothiopyran or Dihydrothiazine C‐Rings. (2006)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Deployment Issues in Scalable Island Multicast for Peer-to-Peer Streaming (2009)

The scalable island multicast protocol integrates Internet protocol multicast and overlay delivery for media streaming.
High-Gradient Magnetic Separation of Magnetic Nanoclusters (2005)

The capture of magnetic nanoclusters in high-gradient magnetic separation (HGMS) operations, the rate-limiting step in magnetic nanoparticle-based separations and chemical processing, was studied experimentally, and a new model for HGMS capture that extends current single-wire models to column behavior was developed. Clusters >50 nm were captured very efficiently (>99.9%) at high flow rates. When a sufficiently long column was used, the lost particles were almost entirely single nanoparticles that were significantly smaller (<30 nm) than the average cluster size. When these small nanoparticles are removed, capture can be improved significantly. The column model allows quantitative prediction of HGMS capture over a wide range of conditions, whereas analysis of the limiting condition of an infinite number of stages yields new parameters that can be calculated much more simply than with the full-column model. These parameters can be used for quantitative estimates of the maximum capture efficiency and capacity of the HGMS column and can be calculated as simply as previous models that provided only qualitative information.
A Bimetallic Aluminium(Salphen) Complex for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide (2016)

A bimetallic aluminium(salphen) complex is reported as a sustainable, efficient and inexpensive catalyst for the synthesis of cyclic carbonates from epoxides and carbon dioxide. In the presence of this complex and tetrabutylammonium bromide, terminal and internal epoxides reacted at 50 °C and 10 bar carbon dioxide pressure to afford their corresponding cyclic carbonates in yields of 50-94 % and 30-71 % for terminal and internal cyclic carbonates, respectively. Mechanistic studies using deuterated epoxides and an analogous monometallic aluminium(salphen) chloride complex support a mechanism for catalysis by the bimetallic complex, which involves intramolecular cooperative catalysis between the two aluminium centres.
Novel LRRK2 GTP-binding inhibitors reduced degeneration in Parkinson's disease cell and mouse models (2014)

Mutations in the leucine-rich repeat kinase-2 (LRRK2) gene cause autosomal-dominant Parkinson's disease (PD) and contribute to sporadic PD. LRRK2 contains Guanosine-5'-triphosphate (GTP) binding, GTPase and kinase activities that have been implicated in the neuronal degeneration of PD pathogenesis, making LRRK2, a potential drug target. To date, there is no disease-modifying drug to slow the neuronal degeneration of PD and no published LRRK2 GTP domain inhibitor. Here, the biological functions of two novel GTP-binding inhibitors of LRRK2 were examined in PD cell and mouse models. Through a combination of computer-aided drug design (CADD) and LRRK2 bio-functional screens, two novel compounds, 68: and 70: , were shown to reduce LRRK2 GTP binding and to inhibit LRRK2 kinase activity in vitro and in cultured cell assays. Moreover, these two compounds attenuated neuronal degeneration in human SH-SY5Y neuroblastoma cells and mouse primary neurons expressing mutant LRRK2 variants. Although both compounds inhibited LRRK2 kinase activity and reduced neuronal degeneration, solubility problems with 70: prevented further testing in mice. Thus, only 68: was tested in a LRRK2-based lipopolysaccharide (LPS)-induced pre-inflammatory mouse model. 68: reduced LRRK2 GTP-binding activity and kinase activity in brains of LRRK2 transgenic mice after intraperitoneal injection. Moreover, LPS induced LRRK2 upregulation and microglia activation in mouse brains. These findings suggest that disruption of GTP binding to LRRK2 represents a potential novel therapeutic approach for PD intervention and that these novel GTP-binding inhibitors provide both tools and lead compounds for future drug development.
Analysis of Vocal Tract Characteristics for Near-term Suicidal Risk Assessment (2004)

As a result of two-sample ML classification analyses, first four mel-cepstral coefficients yielded exceptional classification performance with correct classification scores of 80% between near-term suicidal patients and non-depressed controls, 75% between depressed patients and non-depressed controls, and 80% between near-term suicidal patients and depressed patients.
Targeting multidrug resistant <i>Staphylococcus</i> infections with bacterial histidine kinase inhibitors (2023)

The emergence of drug-resistant bacteria, such as methicillin-resistant <i>Staphylococcus aureus</i> (MRSA), which are not susceptible to current antibiotics has necessitated the development of novel approaches and targets to tackle this growing challenge. Bacterial two-component systems (TCSs) play a central role in the adaptative response of bacteria to their ever-changing environment. They are linked to antibiotic resistance and bacterial virulence making the proteins of the TCSs, histidine kinases and response regulators, attractive for the development of novel antibacterial drugs. Here, we developed a suite of maleimide-based compounds that we evaluated against a model histidine kinase, HK853, <i>in vitro</i> and <i>in silico</i>. The most potent leads were then assessed for their ability to decrease the pathogenicity and virulence of MRSA, resulting in the identification of a molecule that decreased the lesion size caused by a methicillin-resistant <i>S. aureus</i> skin infection by 65% in a murine model.
Cooling Crystallization of Paracetamol in Hollow Fiber Devices (2006)

We examine here cooling crystallization of aqueous paracetamol solutions in hollow fiber devices. It is shown that a solid hollow fiber crystallizer (SHFC)−static mixer assembly can be operated successfully up to 30−40°C below the metastable zone limit. Such a capability is not existent in industrial cooling crystallizers; it allows the decoupling of nucleation and growth, an opportunity offered currently only by impinging jet mixers for antisolvent crystallization. In addition, it leads to the achievement of very high nucleation rates and hence small crystal sizes. The former were 2−4 orders of magnitude higher than values previously obtained in solid hollow fiber crystallizers for potassium nitrate and salicylic acid and reached values encountered only in impinging jet crystallization. A qualitative comparison with existing literature data showed that the SHFC−static mixer combination confined the crystal size distribution (CSD) to smaller sizes and a narrower range. Finally, a linear relationship between the mean crystal size and the cooling medium temperature was observed. This relationship is indicative of the simplicity available in SHFCs vis-à-vis CSD control.
Isolation and Chimerization of a Highly Neutralizing Antibody Conferring Passive Protection against Lethal Bacillus anthracis Infection (2009)

Several studies have demonstrated that the passive transfer of protective antigen (PA)-neutralizing antibodies can protect animals against Bacillus anthracis infection. The standard protocol for the isolation of PA-neutralizing monoclonal antibodies is based upon a primary selection of the highest PA-binders by ELISA, and usually yields only few candidates antibodies. We demonstrated that by applying a PA-neutralization functionality-based screen as the primary criterion for positive clones, it was possible to isolate more than 100 PA-neutralizing antibodies, some of which exhibited no measurable anti-PA titers in ELISA. Among the large panel of neutralizing antibodies identified, mAb 29 demonstrated the most potent activity, and was therefore chimerized. The variable region genes of the mAb 29 were fused to human constant region genes, to form the chimeric 29 antibody (cAb 29). Guinea pigs were fully protected against infection by 40LD(50)B. anthracis spores following two separate administrations with 10 mg/kg of cAb 29: the first administration was given before the challenge, and a second dose was administered on day 4 following exposure. Moreover, animals that survived the challenge and developed endogenous PA-neutralizing antibodies with neutralizing titers above 100 were fully protected against repeat challenges with 40LD(50) of B. anthracis spores. The data presented here emphasize the importance of toxin neutralization-based screens for the efficient isolation of protective antibodies that were probably overlooked in the standard screening protocol. The protective activity of the chimeric cAb 29 demonstrated in this study suggest that it may serve as an effective immunotherapeutic agent against anthrax.
THE ROLE OF IMMUNOLOGY IN COMBATING TRYPANOSOMA CRUZI INFECTION AND CHAGAS DISEASE (2013)

"Chagas disease is a solvable problem and ifitis to be solved, applying what we already know about immunity to T. cruzi will be crucial. But currently too many people get infected, few of tho se who are infected get diagnosed, especially before i rrevocable damage is done, and an insufficient number of those diagnosed get effective treatment. To alter this state of affairs, setting appropria te priorities and demanding more of the rese arch that is on going and of the funders of tha tresear chis an absolute necessi ty. We are fortunate to be in a per iod of sig nif i cant interest in C hagas disease by the pharma ceutical industr y. This inter est is unlikely t o last fo r long, so it is especi a lly critic al now to translate what we know a nd can learn into more effective interventions."
Octane-On-Demand: Onboard Separation of Oxygenates from Gasoline (2019)

Increasing numbers of standards for emissions and fuel economy drive the need to downsize spark ignition internal combustion engines. To accommodate this change while reducing engine knock, fuels with higher octane numbers are needed. However, studies have shown that octane requirements are not uniform across the vehicle drive cycle, leading to inefficient use of the high-octane fuel components. One approach shown to substantially increase fuel economy through the efficient use of high-octane fuel components is a dual-fuel solution called octane-on-demand. Octane-on-demand supplies fuel that has the required octane rating, as dictated by the engine torque demands, by delivering the proper ratio of high- and low-octane fuels. Barriers associated with introducing two fuels in the marketplace for an octane-on-demand approach can be overcome using an onboard separation system to separate a single fuel, such as a market E10 gasoline, into a high-octane oxygenate, such as ethanol, and a lower-octane base fuel. Onboard separation systems currently under evaluation rely on pervaporation membranes, which lose efficiency as the oxygenate is removed, leading to inefficient use of this valuable fuel component. Here, we present liquid–solid and liquid–liquid chemical separation strategies that may provide advantages over membrane separation. This paper introduces applications of tailored chemical reactions, solid sorbent materials, and ionic liquids that are shown to have a high oxygenate recovery and utility beyond ethanol to potential future oxygenate additives, such as isomers of butanol.
Fast Discrete Distribution Clustering Using Wasserstein Barycenter With Sparse Support (2017)

In a variety of research areas, the weighted bag of vectors and the histogram are widely used descriptors for complex objects. Both can be expressed as discrete distributions. D2-clustering pursues the minimum total within-cluster variation for a set of discrete distributions subject to the Kantorovich-Wasserstein metric. D2-clustering has a severe scalability issue, the bottleneck being the computation of a centroid distribution, called Wasserstein barycenter, that minimizes its sum of squared distances to the cluster members. In this paper, we develop a modified Bregman ADMM approach for computing the approximate discrete Wasserstein barycenter of large clusters. In the case when the support points of the barycenters are unknown and have low cardinality, our method achieves high accuracy empirically at a much reduced computational cost. The strengths and weaknesses of our method and its alternatives are examined through experiments, and we recommend scenarios for their respective usage. Moreover, we develop both serial and parallelized versions of the algorithm. By experimenting with large-scale data, we demonstrate the computational efficiency of the new methods and investigate their convergence properties and numerical stability. The clustering results obtained on several datasets in different domains are highly competitive in comparison with some widely used methods in the corresponding areas.
Vapor Phase Chelate Delivery Technique for Fabrication of Rare Earth Doped Optical Fiber (2012)

Presenting an optimized process to deliver rare-earth compounds in vapor phase for fabrication of large-core Yb-doped fibers with uniform dopant distribution and good reproducibility. Fibers exhibit good optical properties, suitable for high power laser applications.