gebhart/patrepeval huggingface dataset:
Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-<i>C</i>)- and hemilabile (κ<sup>2</sup>-<i>C</i>,<i>S</i>)-thioether-functionalised NHC ligands (2018)

Neutral nickel-N-heterocyclic carbene complexes, (κ<sup>1</sup>-C)-[NiCpBr{R-NHC-(CH<sub>2</sub>)<sub>2</sub>SR'}] [Cp = η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>; R-NHC-(CH<sub>2</sub>)<sub>2</sub>SR' = 1-mesityl-3-[2-(tert-butylthio)ethyl]- (1a), 1-mesityl-3-[2-(phenylthio)ethyl]- (1b), 1-benzyl-3-[2-(tert-butylthio)ethyl]- (1c), 1-benzyl-3-[2-(phenylthio)ethyl]-imidazol-2-ylidene (1d)], which bear a N-bound thioether side arm, were prepared by the reaction of nickelocene with the corresponding imidazolium bromides [R-NHC-(CH<sub>2</sub>)<sub>2</sub>SR'·HBr] (a-d), via conventional or microwave heating. The <sup>1</sup>H NMR spectra of the benzyl-substituted species 1c and 1d showed signals for diastereotopic NCH<sub>2</sub>CH<sub>2</sub>S protons at room temperature. However, structural studies established the absence of coordination of the sulphur atom in the solid state, and solvent DFT calculations showed that bromide displacement by sulphur is an unfavourable process (ΔG = +13.5 kcal mol<sup>-1</sup> for 1d), thereby suggesting that the observed disatereotopicity is more likely due to significant steric congestion rather than to a possible C,S-chelation in solution. Treatment of these complexes with KPF<sub>6</sub> in tetrahydrofuran (THF) led to bromide abstraction to afford the cationic complexes [NiCp{R-NHC-(CH<sub>2</sub>)<sub>2</sub>SR'}](PF<sub>6</sub>) (2a-c). Alternatively, 2a-c could also be prepared by the direct reaction of nickelocene with the corresponding imidazolium hexafluorophosphate salts [R-NHC-(CH<sub>2</sub>)<sub>2</sub>SR'·HPF<sub>6</sub>]. Inversely to the neutral species, whereas X-ray crystallography established C,S-chelation in the solid state, the <sup>1</sup>H NMR spectra (CDCl<sub>3</sub>, CD<sub>2</sub>Cl<sub>2</sub>, or thf-d<sub>8</sub>) at room temperature showed no diastereotopic NCH<sub>2</sub>CH<sub>2</sub>S protons, thus suggesting the possible displacement of the sulphur atom by the respective solvents and/or very fast sulphur inversion. DFT calculations established a low energy inversion process in all cases (+9 ≤ΔG<sup>‡</sup>≤ +13 kcal mol<sup>-1</sup>) as well as a favourable solvent coordination process (ΔG<sup>‡</sup>≈ +11 kcal mol<sup>-1</sup>; ΔG≈-7 kcal mol<sup>-1</sup>) with a solvent such as THF, thus suggesting that sulphur inversion and/or solvent coordination can both account for the absence of diastereotopy at room temperature, depending on the solvent. While all complexes catalysed the hydrosilylation of benzaldehyde in the absence of any additive, the cationic C,S-chelated complexes 2 proved more active than the sterically constrained neutral species 1. In particular, 2c proved to be the most active pre-catalyst and its catalytic charge could be lowered down to 2 mol% with PhSiH<sub>3</sub> as the hydrogen source.
Regioselective Synthesis of Tetraalkynylarenes by Consecutive Dual Sonogashira Coupling Reactions of the Bis(triflate) of 4,5‐Diiodobenzene‐1,2‐diol (2012)

Abstract The regioselective synthesis of nonsymmetric tetraalkynylarenes has been readily achieved through consecutive sets of Sonagashira cross‐coupling reactions of the bis(triflate) derivative of 4,5‐diiodobenzene‐1,2‐diol. The initial coupling reactions proceeded with nearly complete selectivity for the reaction at the Ar–I linkages. Subsequent coupling reactions at the Ar–OTf linkages were efficiently conducted. The tetraalkynylarene products are of interest as components of organic molecular materials.
Establishing a GMP manufacturing site for nanoparticles (2007)

An active clinical trial at MD Anderson Cancer Center uses DOTAP:Chol liposomes as a non-viral vector for gene therapy. This therapeutic product needs to be produced fresh for each administration. Originally, the manufacture of the liposomes, the purified plasmid Fus-1 DNA as well as the Liposome-DNA complex for this trial was completed at a collaborating institution. With the recent opening of MDACC’s state of the art GMP facility the manufacture of the DOTAP:Chol-Fus-1 complex was transferred to our facilities. This transfer took the collaborative efforts of regulatory groups, the original manufacturing site, the clinical team, the GMP technical laboratory, QC and QA groups, and various reference laboratories. During this technology transfer process it was discovered that the original liposomes had begun to degrade. Our GMP facility had to therefore validate the manufacturing of both the liposome and DNA-liposome complexes. The release specifications of the liposome and final DNA-liposome product were equivalent to lots previously produced at our collaborating institution. To date, 10 doses have been manufactured for the treatment of 4 patients.
Comparison of Permanent-Magnet-Type Magnetic-Geared Motors (2015)

We have proposed a variety of magnetic-geared motors. Among them, magnetic-geared motors with permanent magnets in the high-speed rotor and stator slots are superior to the others in terms of the transmission and excitation torques. In this paper, we compare 2 types of magnetic-geared motors which have permanent magnets in the stator slots. The characteristics are compared using finite element analysis coupled with vector control. Finally, the computed characteristics are verified by carrying out measurements on a prototype.
Abstract P198: Aberrant Activation of γ2-AMPK Causes Cardiac Hypertrophy Independent of Glycogen Storage (2011)

AMP-activated protein kinase (AMPK) is an energy sensor and a key regulator of cell metabolism, hence a promising drug target. The cardiac functions of AMPK have not been understood. Point mutations in the regulatory γ2-subunit (encoded by PRKAG2 gene) have been shown to cause a unique form of cardiomyopathy in humans characterized by cardiac hypertrophy, arrhythmias and glycogen storage. We have previously shown that PRKAG2 mutation caused aberrant activation of AMPK in the absence of energy deficit and subsequently triggered re-routing of excessive glucose into glycogen pool. In this study, we addressed two questions: 1) whether cardiac hypertrophy in PRKAG2 cardiomyopathy was secondary of glycogen storage; 2) which hypertrophic signaling pathways are involved. We sought to reduce glycogen storage in transgenic mice expressing a mutant PRKAG2 (N488I) in the heart (TGγ2 N488I ) by crossing them to knock-in mice harboring a mutation in the muscle form of glycogen synthase (GYS1 KI ) that greatly reduced GYS activity in response to glucose-6-phosphate. Compared to TGγ2 N488I , TGγ2 N488I -GYS1-KI (double mutant) hearts showed lower GYS activity (0.7 ± 0.07 vs. 6.9 ± 0.49 nmol/min/mg, p&lt;0.0001) and reduced glycogen content (35 ± 4.5 vs. 169 ± 40 umol/g, p&lt;0.0001). Nonetheless, cardiac hypertrophy remained in the double mutant. The heart weight to body weight ratios were 6.8 ± 0.7 mg/g for TGγ2 N488I , 6.7 ± 0.5 mg/g for the double mutant compared to 4.0 ± 0.2 mg/g in the wild type. Furthermore, we have observed significant changes in FOXO (forkhead-O transcription factor) and mTOR (mammalian target of rapamycin) pathways in the TGγ2 N488I hearts. Increased phosphorylation of FOXO3a (Ser321, Ser253) and FoxO1a (Ser256) led to nuclear exclusion and degradation of FOXO proteins. Increased mTOR activity was evidenced by enhanced phosphorylation of Ser2448 as well as its downstream targets S6 and 4E-BP. Taken together these data indicate that aberrant γ2-AMPK activation causes cardiac hypertrophy independent of excessive glycogen accumulation. We found that increased mTOR activity and decreased FOXO signaling contributes to cardiac hypertrophy in TGγ2 N488I mice, suggesting novel mechanisms underlying cardiac hypertrophy caused by abnormal γ2-AMPK activity.
The use of fixed point induction in verifying systolic array designs: an applicative approach (2002)

The paper presents our applicative approach of using fixed point induction principle to verify the correctness of systolic array designs. Fixed point induction exploits the repeatable, regular, and local attributes of systolic arrays in realizing recursive functions. The applicative language in denotational semantics improves proof efficiency by skipping the redundant search time and space that occurred in other techniques. Our approach, as well as an example of applying it to prove a systolic array for matrix inversion, are provided in the paper.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Association study between the -62A/T NFKBIL1 polymorphism and obsessive-compulsive disorder (2009)

The results of the present investigation do not provide evidence for the association between the -62A/T NFKBIL1 polymorphism and obsessive-compulsive disorder in this Brazilian sample.
IL-15 transpresentation promotes both human T-cell reconstitution and T-cell–dependent antibody responses in vivo (2011)

Cytokine immunotherapies targeting T lymphocytes are attractive clinical interventions against viruses and tumors. In the mouse, the homeostasis of memory α/β CD8(+) T cells and natural killer (NK) cells is significantly improved with increased IL-15 bioavailability. In contrast, the role of "transpresented" IL-15 on human T-cell development and homeostasis in vivo is unknown. We found that both CD8 and CD4 T cells in human immune system (HIS) mice are highly sensitive to transpresented IL-15 in vivo, with both naïve (CD62L(+)CD45RA(+)) and memory phenotype (CD62L(-)CD45RO(+)) subsets being significantly increased following IL-15 "boosting." The unexpected global improvement in human T-cell homeostasis involved enhanced proliferation and survival of both naïve and memory phenotype peripheral T cells, which potentiated B-cell responses by increasing the frequency of antigen-specific responses following immunization. Transpresented IL-15 did not modify T-cell activation patterns or alter the global T-cell receptor (TCR) repertoire diversity. Our results indicate an unexpected effect of IL-15 on human T cells in vivo, in particular on CD4(+) T cells. As IL-15 promotes human peripheral T-cell homeostasis and increases the frequency of neutralizing antibody responses in HIS mice, IL-15 immunotherapy could be envisaged as a unique approach to improve vaccine responses in the clinical setting.
Effects of semicircular canal electrode implantation on hearing in chinchillas (2008)

Four implanted ears suffered severe hearing loss, with thresholds ranging from 5 to 11 SD above the mean threshold of sham surgery control ears across all tested stimuli. Two implanted ears had preserved hearing, with thresholds remaining within 1 SD of the mean threshold of sham surgery control ears across nearly all stimulus frequencies.
Interference techniques for determining large scale, three-dimensional structure of mixed fluid water column. (2010)

Propagation of acoustic waves can be used to map the 3-D structure of the water column with the horizontal scale about a few tens of kilometers. If the water column has oil, because of the vast contrast between the sound properties of the oil versus water (sound speed in oil is about 1300–1350 m/s), the index of refraction in the water column is changed. This change can be captured by acoustical sounding using source and vertical and/or horizontal hydrophone arrays and a 3-D structure of the water column can be constructed. To map the contours of oil patches and layers inside the water column in horizontal plane and its behavior in space and time, a variation of interference pattern in horizontal plane can be utilized. These interference patterns can be produced in an area of multipath propagation of sound rays due to horizontal refraction. In this paper, we provide theoretical estimation of position and velocity of boundary of a 3-D structure with sound speed distinct from surrounding (temperature front, internal waves, oil spill), using measurement of horizontal interference structure. It is shown that sound signals of different frequencies (from 50 Hz to a few kilohertz) can provide enough accuracy for mapping of similar inclusions.
Design and analysis for interferometric measurements of the GMT primary mirror segments (2006)

The Giant Magellan Telescope (GMT) uses seven 8.4-m diameter segments to create a giant primary mirror, 25 meters across with focal ratio <i>f</i> /0.7. The off-axis segments will be difficult to measure accurately, as they have 14.5 mm departure from the nearest fitting sphere! The test configuration adopted uses a large 3.75-m powered mirror to fold the light path and provide most of the aspheric correction, with a smaller mirror and computer generated hologram (CGH) providing the additional correction. These optics will be aligned to a vibration-insensitive interferometer using a combination of optical references created by the CGH and metrology with a laser tracker. Some key challenges for this system are presented here including, the system alignment, the large fold mirror, and the mechanical structure. Analysis of the optical test shows that it will meet GMT specifications, including the difficult requirement that the separate segments have matching radius of curvature. Additional corroborative testing will be performed to assure that the mirror segments are correctly figured.
Construction and Characterization of an Infectious Molecular Clone Derived from the CRF01_AE Primary Isolate of HIV Type 1 (2002)

An infectious molecular clone (named p95TNIH022) was constructed using long-range polymerase chain reaction products derived from a clinical isolate (95TNIH022) of HIV-1 CRF01_AE obtained from an asymptomatic Thai carrier in 1995. The virus in the supernatant from p95TNIH022-transfected 293T cells showed infectivity in peripheral blood mononuclear cells (PBMCs) as well as in MAGIC5 cells, which express CD4 and CCR5, but not in the original MAGI cells, indicating that p95TNIH022 is an infectious molecular clone with CCR5 tropism. Interestingly, p95TNIH022-derived virus induced profound cell killing in infected PBMCs, as in cells infected with the parental isolate.
Tanshinone I enhances learning and memory, and ameliorates memory impairment in mice via the extracellular signal‐regulated kinase signalling pathway (2009)

Tanshinone I ameliorates the learning and memory impairments induced by diazepam and MK-801 through activation of ERK signalling.
Paediatric Burkitt lymphoma patient‐derived xenografts capture disease characteristics over time and are a model for therapy (2020)

Burkitt lymphoma (BL) accounts for almost two-thirds of all B-cell non-Hodgkin lymphoma (B-NHL) in children and adolescents and is characterised by a MYC translocation and rapid cell turnover. Intensive chemotherapeutic regimens have been developed in recent decades, including the lymphomes malins B (LMB) protocol, which have resulted in a survival rate in excess of 90%. Recent clinical trials have focused on immunochemotherapy, with the addition of rituximab to chemotherapeutic backbones, showing encouraging results. Despite these advances, relapse and refractory disease occurs in up to 10% of patients and salvage options for these carry a dismal prognosis. Efforts to better understand the molecular and functional characteristics driving relapse and refractory disease may help improve this prognosis. This study has established a paediatric BL patient-derived xenograft (PDX) resource which captures and maintains tumour heterogeneity, may be used to better characterise tumours and identify cell populations responsible for therapy resistance.
Regulation of polyamine biosynthesis in rat hepatoma (HTC) cells by a bisbenzyl polyamine analogue (1989)

A bisbenzyl polyamine analogue, MDL 27695, rapidly repressed ornithine decarboxylase (ODC) and S-adenosyl-L-methionine decarboxylase (AdoMet DC) activity and depleted polyamines in rat hepatoma (HTC) cells. The suppression of ODC and AdoMet DC activity was temporally related to metabolism of MDL 27695 by intracellular polyamine oxidase to a free-amine analogue, MDL 26752, which, when added directly to HTC cells, suppressed ODC activity and polyamine biosynthesis more rapidly and to a greater extent than did the bisbenzyl analogue. The ODC suppression caused by MDL 27695 was completely blocked by the addition of a polyamine oxidase inhibitor to the HTC-cell cultures along with MDL 27695. These data suggested that MDL 27695 acted as a prodrug, with metabolism to an active analogue being necessary for ODC repression to occur. MDL 27695 and MDL 26752 completely abolished division of HTC cells when added to cultures at 1 microM. This established them as being among the most potent antiproliferative polyamine analogues yet described. MDL 27695 has also been shown to possess significant antimalarial effects both in vitro and in vivo, and it is possible that the marked suppression of polyamine biosynthesis described herein may contribute to its anti-malarial effects as well as its antiproliferative effects in mammalian cells.
One-pot synthesis of β-amido ketones using Brønsted acidic ionic liquid as an efficient and reusable catalyst (2009)

An efficient protocol was developed for one-pot condensation of an aldehyde, ketone, acetyl chloride, and nitriles catalyzed by a stable and reusable 1-methyl-imidazolium hydrogen sulfate ([Hmim][HSO 4 ]) as a Brønsted acidic ionic liquid. The system tolerated a variety of functional groups affording the corresponding β-amido ketones in moderate to good yields under milder operating conditions.
B Virus (Macacine Herpesvirus 1) Divergence: Variations in Glycoprotein D from Clinical and Laboratory Isolates Diversify Virus Entry Strategies (2016)

B virus causes brainstem destruction in infected humans in the absence of timely diagnosis and intervention. Nectins are cell adhesion molecules that are widely expressed in human tissues, including neurons and neuronal synapses. Here we report that human nectin-2 is a target receptor for B virus entry, in addition to the reported receptor human nectin-1. Similar to a B virus lab strain, B virus clinical strains can effectively use both nectin-1 and nectin-2 as cellular receptors for entry into human cells, but unlike HSV-1 and HSV-2, none of the clinical strains uses an HVEM-mediated entry pathway. Ultimately, these differences between B virus and HSV-1 and -2 may provide insight into the neuropathogenicity of B virus during zoonotic infections.
Current-Base Sensorless Vibration Monitoring f Small Synchronous Machines (1998)

This paper presents an initial study into the relationship between mechanical vibrations and their effect on the airgap and the resultant stator and field current harmonics in low and medium voltage synchronous machines. Experimental results show that the modulation of the airgap by mechanical vibrations can be detected in the stator and field current spectra and are monotonically related for a given vibratiodcurrent harmonic set. This paper presents experimental results for a 4 kW, 240 V, 4 pole wound-field synchronous motor tested at two different load conditions for five levels of rotor imbalance.
Direct Measurement of Transverse Mode Correlation and Fiber-Enhanced RIN through MMF using 850nm VCSELs (2016)

Cross-correlations between VCSEL transverse modes are synchronously observed and used to predict kmpn and dispersion dependent RIN. Experiments with MMF of different dispersion slope confirm importance of reach-dependent RIN currently neglected in the IEEE model.
A New Trans-Tympanic Microphone Approach for Fully Implantable Hearing Devices (2015)

Fully implantable hearing devices (FIHDs) have been developed as a new technology to overcome the disadvantages of conventional acoustic hearing aids. The implantable microphones currently used in FIHDs, however, have difficulty achieving high sensitivity to environmental sounds, low sensitivity to body noise, and ease of implantation. In general, implantable microphones may be placed under the skin in the temporal bone region of the skull. In this situation, body noise picked up during mastication and touching can be significant, and the layer of skin and hair can both attenuate and distort sounds. The new approach presently proposed is a microphone implanted at the tympanic membrane. This method increases the microphone's sensitivity by utilizing the pinna's directionally dependent sound collection capabilities and the natural resonances of the ear canal. The sensitivity and insertion loss of this microphone were measured in human cadaveric specimens in the 0.1 to 16 kHz frequency range. In addition, the maximum stable gain due to feedback between the trans-tympanic microphone and a round-window-drive transducer, was measured. The results confirmed in situ high-performance capabilities of the proposed trans-tympanic microphone.
Drug-drug interaction data source survey and linking. (2014)

As an initial step towards the goal of a common data model for potential drug-drug interactions, we surveyed the data elements provided by the publicly available sources. Our analysis found that there is very little overlap between or across publicly available resources and that the information provided is very heterogeneous.
Handbook of Cryo-Preparation Methods for Electron Microscopy (2008)

Cryo-Fixation Methods. Macromolecular Assemblies. Cryo-ultramicrotomy. Low-Temperature Embedding. Freeze-Fracture and Metal Shadowing. Immunolabeling, Electron Tomography.
Titanium dioxide nanoparticles: the importance of shape and exposed facets in surface-molecule interactions (2016)

Slides of the oral contribution presented at the XLIV National Congress of Physical Chemistry, Naples, Italy, September 20-23, 2016This presentation was uploaded during the Open Access Week (24-30 october 2016). This year's theme was 'Open in Action':so, this a little contribution to the global initiative of sharing open data.<br>Note: some of the references are related to a non-openaccess paper.However, a non-technical explanation of the research is publicly available at the following links: https://goo.gl/4PZ7vxhttps://yourmoleculardreams.wordpress.com/2016/07/25/tio2_co_bond/
[mandibular reconstruction by free bone flaps with micro-anastomosis. Our current indications]. (1992)

The frequency with which difficulties were encountered in the reconstruction of the continuity of the mandible led us to attempt to systematize our indications. Although grafts, composite pedicle flaps and prosthetic guides still have their appropriate applications. Local conditions are more and more frequently amenable to free flaps. The factors guiding our choice are presented in detail: physical conditions, etiology and anatomy of the defect. In addition, the reason for choosing the type of free flap--iliac crest, fibula or external brachial--is discussed.
Hot Spot Formation and Steady State Multiplicities (2007)

This chapter contains sections titled: Introduction Models Nonlinear Analysis Spatially Distributed Model Lumped Model Analysis of the Lumped FC Model Analysis of the Spatially Distributed FC Model Analysis of a More General High Temperature Fuel Cell Model Conclusions Appendix: Model Equations for Nonlinear Analysis Equations of the Spatially Distributed Model Equations of the Lumped Model Model Parameters Bibliography