gebhart/patrepeval huggingface dataset:
CATALYST PRODUCT SEPARATION TECHNIQUES IN HECK REACTION (2001)

Abstract The Heck reaction finds several applications in industry because it is one of the effective tools for the formation of a new C─C bond. In addition to the catalytic activity and selectivity, catalyst–product separation strategies are very important for the industrial application. There are various methods of interest ranging from conventional heterogeneous catalysts to heterogenization of homogeneous catalysts. The heterogeneous catalysts are classified into supported metal catalysts, zeolite-encapsulated catalysts, colloids–nanoparticles, and intercalated metal compounds. The homogeneous metal complexes catalysts are heterogenized using modified silica catalysts, polymer-supported catalysts, biphasic catalysts, supported liquid-phase catalysts, nonionic liquids solvents, perfluorinated solvents, and reusable homogeneous complexes. In general, heterogeneous catalysts are effective and stable at higher temperatures, which may be important for the activation of less reactive but less expensive chloroaryls substrates. However, the heterogeneous catalysts have a major drawback of poor selectivity toward Heck coupling products. The heterogenized metal complexes catalysts operate under relatively mild conditions as compared with heterogeneous catalysts, and so they can be applied to the production of pharmaceuticals and fine chemicals. Catalysis using supercritical solvents with catalyst separation techniques is promising for the development of green chemistry processes. Although the concepts described in this article have been reviewed mainly for Heck reactions, they should be applicable to a wide range of other chemical transformations (hydrogenation, carbonylation, hydroformylation, and so on) that, currently, are homogeneously catalyzed reactions. Keywords: Heck reactionHeterogeneous catalysisHomogeneous catalysisSeparationVinylation ACKNOWLEDGMENT We wish to thank Ms. Y. Nakamura for her help during preparation of this work.
Reconstructing optical parameters from double-integrating-sphere measurements using a genetic algorithm (2013)

For the reconstruction of physiological changes in specific tissue layers detected by optical techniques, the exact knowledge of the optical parameters <i>&mu;<sub>a</sub></i>, <i>&mu;<sub>s</sub></i> and <i>g</i> of different tissue types is of paramount importance. One approach to accurately determine these parameters for biological tissue or phantom material is to use a double-integrating-sphere measurement system. It offers a flexible way to measure various kinds of tissues, liquids and artificial phantom materials. Accurate measurements can be achieved by technical adjustments and calibration of the spheres using commercially available reflection and transmission standards. The determination For the reconstruction of physiological changes in specific tissue layers detected by optical techniques, the exact knowledge of the optical parameters <i>&mu;<sub>a</sub></i>, <i>&mu;<sub>s</sub></i> and <i>g</i> of different tissue types is of paramount importance. One approach to accurately determine these parameters for biological tissue or phantom material is to use a double-integrating-sphere measurement system. It offers a flexible way to measure various kinds of tissues, liquids and artificial phantom materials. Accurate measurements can be achieved by technical adjustments and calibration of the spheres using commercially available reflection and transmission standards. The determination of the optical parameters of a material is based on two separate steps. Firstly, the reflectance <i>&rho;<sub>s</sub></i>, the total transmittance <i>T<sub>s</sub><sup>T</sup></i> and the unscattered transmittance <i>T<sub>s</sub><sup>C</sup></i> of the sample <i>s</i> are measured with the double-integrating-sphere setup. Secondly, the optical parameters <i>&mu;<sub>a</sub></i>, <i>&mu;<sub>s</sub></i> and <i>g</i> are reconstructed with an inverse search algorithm combined with an appropriate solver for the forward problem (calculating <i>&rho;<sub>s</sub></i>, <i>T<sub>s</sub><sup>T</sup></i> and <i>T<sub>s</sub><sup>C</sup></i> from <i>&mu;<sub>a</sub></i>, <i>&mu;<sub>s</sub></i> and <i>g</i>) has to be applied. In this study a Genetic Algorithm is applied as search heuristic, since it offers the most flexible and general approach without requiring any foreknowledge of the fitness-landscape. Given the challenging preparation of real tissue samples it comes as no surprise that these are subject to various uncertainties. In order to perform a robust parameter reconstruction samples of different thickness are used. This adds a further, strong restriction to the potential results from the heuristic reconstruction algorithm.
Rare FMR1 gene mutations causing fragile X syndrome: A review (2017)

Fragile X syndrome (FXS) is the most common inherited form of intellectual disability, typically due to CGG-repeat expansions in the FMR1 gene leading to lack of expression. We identified a rare FMR1 gene mutation (c.413G>A), previously reported in a single patient and reviewed the literature for other rare FMR1 mutations. Our patient at 10 years of age presented with the classical findings of FXS including intellectual disability, autism, craniofacial findings, hyperextensibility, fleshy hands, flat feet, unsteady gait, and seizures but without the typical CGG-repeat expansion. He had more features of FXS than the previously reported patient with the same mutation. Twenty individuals reported previously with rare missense or nonsense mutations or other coding disturbances of the FMR1 gene ranged in age from infancy to 50 years; most were verbal with limited speech, had autism and hyperactivity, and all had intellectual disability. Four of the 20 individuals had a mutation within exon 15, three within exon 5, and two within exon 2. The FMR1 missense mutation (c.413G>A) is the same as in a previously reported male where it was shown that there was preservation of the post-synaptic function of the fragile X mental retardation protein (FMRP), the encoded protein of the FMR1 gene was preserved. Both patients with this missense mutation had physical, cognitive, and behavioral features similarly seen in FXS.
Stable Chronic Disease: A Behavioral Model (1977)

A three-year study was undertaken in the general medical clinic of a private community hospital, to assess the health behavior, health status, and profile of function of stable chronic disease was developed and tested. It was shown that these patients used a disproportionate amount of health care services. Half of the group was treated by a nurse practitioner/physician team and half by a house officer/preceptor team. Patients in both groups behaved similarly. These patients: 1) made frequent demands for outpatient services but did not need more than average hospital care; 2) tended to have problems of socio-economic indigency; 3) were likely to have hypertension, obesity, arthritis, and functional disease; 4) were chiefly women; 5) required special visits 9 percent of the time, usually for exacerbations of illness or intercurrent health problems; 6) made greater demands if they had functional complaints as a primary or secondary health problem; and 7) viewed their health more positively and functioned at a higher level if they were over 65 years of age. It was also found that the nurse practitioner, working in consultation with a physician, was able to provide high-quality health care.
In vitro degradation and erosion of degradable, segmented polyurethanes containing an amino acid-based chain extender (2001)

In vitro degradation and erosion of novel, degradable segmented polyurethanes containing a phenylalanine diester chain extender were investigated by exposing the polymers to buffer. chymotrypsin, and trypsin solutions for up to 28 days. Polyurethane degradation and erosion were monitored by gravimetry, scanning electron microscopy (SEM), and gel permeation chromatography (GPC) and compared to a control polyurethane. Polyurethanes were synthesized using two different soft segments (polycaprolactone diol and polyethylene oxide) of variable molecular weight. Inclusion of the phenylalanine-based chain extender resulted in an increased susceptibility to enzyme-mediated, but not buffer-mediated, erosion in comparison to the control polyurethane. SEM analysis indicated that enzyme-mediated erosion proceeded via a surface-limited mechanism resulting in a progressive removal of material from the surface inwards with time. The magnitude of degradation and erosion was highly variable and was dependent on soft segment type and molecular weight. The range of degradation rates, as well as physicochemical properties, makes these polyurethanes potentially useful for a wide range of biomedical applications.
Site-Directed Spin Labeling Electron Paramagnetic Resonance Study of the Calcium-Induced Structural Transition in the N-Domain of Human Cardiac Troponin C Complexed with Troponin I (2004)

Calcium-induced structural transition in the amino-terminal domain of troponin C (TnC) triggers skeletal and cardiac muscle contraction. The salient feature of this structural transition is the movement of the B and C helices, which is termed the "opening" of the N-domain. This movement exposes a hydrophobic region, allowing interaction with the regulatory domain of troponin I (TnI) as can be seen in the crystal structure of the troponin ternary complex [Takeda, S., Yamashita, A., Maeda, K., and Maeda, Y. (2003) Nature 424, 35-41]. In contrast to skeletal TnC, Ca(2+)-binding site I (an EF-hand motif that consists of an A helix-loop-B helix motif) is inactive in cardiac TnC. The question arising from comparisons with skeletal TnC is how both helices move according to Ca(2+) binding or interact with TnI in cardiac TnC. In this study, we examined the Ca(2+)-induced movement of the B and C helices relative to the D helix in a cardiac TnC monomer state and TnC-TnI binary complex by means of site-directed spin labeling electron paramagnetic resonance (EPR). Doubly spin-labeled TnC mutants were prepared, and the spin-spin distances were estimated by analyzing dipolar interactions with the Fourier deconvolution method. An interspin distance of 18.4 A was estimated for mutants spin labeled at G42C on the B helix and C84 on the D helix in a Mg(2+)-saturated monomer state. The interspin distance between Q58C on the C helix and C84 on the D helix was estimated to be 18.3 A under the same conditions. Distance changes were observed by the addition of Ca(2+) ions and the formation of a complex with TnI. Our data indicated that the C helix moved away from the D helix in a distinct Ca(2+)-dependent manner, while the B helix did not. A movement of the B helix by interaction with TnI was observed. Both Ca(2+) and TnI were also shown to be essential for the full opening of the N-domain in cardiac TnC.
The GCN4 motif in a rice glutelin gene is essential for endosperm‐specific gene expression and is activated by Opaque‐2 in transgenic rice plants (1998)

The GCN4 motif is conserved in a number of seed storage protein genes, and promoter fragments containing this motif have been shown to be involved in controlling seed-specific expression of the genes studied. All genes encoding the rice seed storage protein glutelin contain the GCN4 motif at similar sites in their 5' flanking regions. Using a stable homologous transgenic system, we have analysed the promoter of the rice glutelin gene GluB-1 and demonstrated that the GCN4 motif functions as an essential cis-element for endosperm-specific gene expression. Moreover, a 21 bp GluB-1 promoter fragment spanning the GCN4 motif, as a multimer, directed GUS gene expression in endosperm of transgenic rice plants, when fused directly to the core promoter (-46) of CaMV 35S. In transiently transfected rice protoplasts, over a hundred-fold transactivation was observed from the 21 bp sequence by the bZIP type transcriptional activator Opaque-2 (O2) co-expressed under a CaMV 35S promoter. The transactivation was also evident in transgenic plants containing both O2 and the 21 bp sequence/GUS fusion. The O2-mediated activation requires binding of O2 to an intact GCN4 motif. Our results suggest that a bZIP protein functionally similar to O2 may exist in rice and participate in controlling the endosperm-specific expression of GluB-1 through the GCN4 motif.
Recurrent Atrial Electrode Displacement Complicating a Single Lead VDD Pacing System (1999)

We describe an unusual complication of single-lead VDD pacing: recurrent advancement of the atrial bipole into the right ventricle. As a consequence, the patient experienced symptomatic pacemaker-mediated tachycardia and underwent two revision operations to achieve adequate fixation of the lead.
Down to 2 nm Ultra Shallow Junctions : Fabrication by IBS Plasma Immersion Ion Implantation Prototype PULSION® (2006)

Classical beam line implantation is limited in low energies and cannot achieve P+/N junctions requirements for <45nm node. Compared to conventional beam line ion implantation, limited to a minimum of about 200 eV, the efficiency of Plasma Immersion Ion Implantation (PIII) is no more to prove for the realization of Ultra Shallow Junctions (USJ) in semiconductor applications: this technique allows to get ultimate shallow profiles (as implanted) thanks to no lower limitation of energy and offers high dose rate. In the field of the European consortium NANOCMOS, Ultra Shallow Junctions implanted on a semi‐industrial PIII prototype (PULSION®) designed by the French company IBS, have been studied. Ultra shallow junctions implanted with BF3 at acceleration voltages down to 20V were realized. Contamination level, homogeneity and depth profile are studied. The SIMS profiles obtained show the capability to make ultra shallow profiles (as implanted) down to 2nm.
The dynamics of changing dynamic memory allocation in a large-scale C++ application (2006)

Changing the approach to dynamic memory allocation in a large legacy application is challenging. In order to improve the robustness of memory allocation, we fundamentally changed it. We replaced standard heap allocation with class-specific heaps. We were able to do it with almost no changes to the existing class code by overriding the C++ new() and delete() operators, and using templates creatively to insert the changes into class hierarchies.The results have been very positive. Misuse of dynamic memory has been detected and errors caused by memory misuse have been avoided. Performance of the new memory management code has been as good or better as the previous code. Additional capabilities such as audits have been added to further increase the robustness of dynamic memory usage.
Modelling the implementation process of blown rigid tannin-based foams (2016)

International audience
Use of BiMOSFETs in modern radar transmitters (2005)

Many applications today require reliable and efficient switches that operate efficiently at high voltages. It is rare to find MOSFETS above 1000 VDC and their high R/sub DS/(on) make their operation at high voltages unattractive. BiMOSFETs are devices, which have combined strengths of MOSFETs and IGBTs. Nonepitaxial construction and new fabrication processes involved in making BiMOSFETs are described. Many characteristics such as forward voltage drop, gate charge and switching times are shown with the help of curves. Taking into consideration their many advantages, some designs of power supplies for radar transmitters and pulse modulators using BiMOSFETs are presented here. Judicious selection of resonant mode ZVS/ZCS techniques, combined with current fed mode, yields power supplies with many attractive features and benefits for powering TWTs, klystrons and magnetrons. The same approach can be used for building high voltage power supplies for innumerable other applications.
The cost implications of obesity for health care and society. (1998)

The prevalence of obesity (body mass index (BMI) > 30 kg/m2) has been rising consistently in recent decades. Obesity is among the key promoters of a number of other highly prevalent and often fatal diseases. These characteristics make obesity one of the major cost drivers in Western health-care systems. For Germany, the direct costs of obesity itself are estimated to be about 850 million DM. Taking into account all attributable co-morbidities, the direct costs are estimated to be between 8.6-11.5 billion DM. If the indirect costs are also included in the calculations, these costs will multiply still further. There is a need for clinical trials in a primary care setting, in order to determine the impact of drug treatment (for example, sibutramine) on the treatment of obesity, the quality of life and the benefits of this treatment by means of a cost-benefit analysis (CBA) and cost-utility analysis (CUA).
Turnover functionality versus turnover frequency: A note on work attitudes and organizational effectiveness. (1986)

Tested whether work attitudes, widely praised as predictors of turnover frequency (i.e., the number of separations), are also useful predictors of turnover functionality (i.e., the nature of separations). Measures on job satisfaction, organizational commitment, job involvement, motivation to turnover, and turnover frequency and functionality were obtained from 112 retail salespersons. Results indicate that (a) the traditional measure of turnover frequency overstates the detrimental effects of turnover on organizational effectiveness, in that 53% of the turnover was functional and (b) turnover functionality, which emphasizes the performance levels of stayers and leavers, is unrelated to work attitudes. Findings suggest that organizations should not devote resources to programs designed to improve employee attitudes, based solely on the expectation that decreasing turnover frequency will result in beneficial consequences.
Effect of annealing temperature on thermo‐diffusional boron doping of silicon nanowire arrays probed by Raman spectroscopy (2020)

Abstract Arrays of silicon nanowires (SiNWs) with characteristic transverse nanowire size of the order of 100 nm were fabricated by metal‐assisted chemical etching of monocrystalline silicon wafers followed by thermo‐diffusional doping with boron and studied by means of Raman spectroscopy considering the Fano effect related to the free charge carriers (holes) in SiNWs. The hole concentration of the order of 10 20 cm −3 was shown to be achieved for SiNWs annealed at 950 – 1000°C and the peak intensity of Raman scattering of SiNWs dropped exponentially with the increasing free‐hole concentration. The obtained results can be used for the express diagnostics of the electrical properties of silicon nanostructures for applications in optoelectronics, sensorics, and thermoelectric devices.
Staphylococcus singaporensis sp. nov., a new member of the Staphylococcus aureus complex, isolated from human clinical specimens (2021)

<i>Staphylococcus argenteus</i> and <i>Staphylococcus schweitzeri</i> are the newest members of the <i>Staphylococcus aureus</i> complex. The number of clinical reports attributed to these new <i>S. aureus</i> complex members is limited. In a retrospective clinical laboratory study conducted over a 4-month period investigating the prevalence of <i>S. argenteus</i> and <i>S. schweitzeri</i>, a total of 43 isolates were selected. Phylogeny based on core-gene multilocus sequence typing (MLST) analysis confirmed that 37 were <i>S. argenteus</i> but a genetically distinct clade of six isolates was identified. Digital DNA-DNA hybridization (dDDH) and average nucleotide identity (ANI) analyses further supported the classification of these six isolates as a separate species. When compared to <i>S. aureus</i> complex reference genomes, the ANI values were ≤94 % and the dDDH values were <53 %. Based on the seven-gene <i>S. aureus</i> MLST scheme, the six isolates belong to five novel allelic profiles (ST6105, ST6106, ST6107, ST6108 and ST109). Their clinical infection features were similar to <i>S. aureus</i>. Skin and soft tissue infections presented in four out of the six cases. Routine clinical diagnostic identification using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and biochemical profiling does not differentiate these new members from the rest of the complex. Genotypic analysis suggests that the six isolates belong to a novel species, <i>Staphylococcus singaporensis</i> sp. nov. with isolate SS21<sup>T</sup> (=DSM 111408<sup>T</sup>=NCTC14419<sup>T</sup>) designated as the type strain.
Ion-pairing HPLC methods to determine EDTA and DTPA in small molecule and biological pharmaceutical formulations (2016)

Ion-pairing high-performance liquid chromatography–ultraviolet（HPLC–UV） methods were developed to determine two commonly used chelating agents,ethylenediaminetetraacetic acid（EDTA） in Abilifys（a small molecule drug with aripiprazole as the active pharmaceutical ingredient） oral solution and diethylenetriaminepentaacetic acid（DTPA） in Yervoys（a monoclonal antibody drug with ipilimumab as the active pharmaceutical ingredient） intravenous formulation.Since the analytes,EDTA and DTPA,do not contain chromophores,transition metal ions(Cu2+ t,Fe3+ t) which generate highly stable metallocomplexes with the chelating agents were added into the sample preparation to enhance UV detection.The use of metallocomplexes with ion-pairing chromatography provides the ability to achieve the desired sensitivity and selectivity in the development of the method.Specifically,the sample preparation involving metallocomplex formation allowed sensitive UV detection.Copper was utilized for the determination of EDTA and iron was utilized for the determination of DTPA.In the case of EDTA,a gradient mobile phase separated the components of the formulation from the analyte.In the method for DTPA,the active drug substance,ipilimumab,was eluted in the void.In addition,the optimization of the concentration of the ion-pairing reagent was discussed as a means of enhancing the retention of the aminopolycarboxylic acids（APCAs） including EDTA and DTPA and the specificity of the method.The analytical method development was designed based on the chromatographic properties of the analytes,the nature of the sample matrix and the intended purpose of the method.Validation data were presented for the two methods.Finally,both methods were successfully utilized in determining the fate of the chelates.
Architectural improvements and technological enhancements for the APEnet+ interconnect system (2015)

The APEnet+ board delivers a point-to-point, low-latency, 3D torus network interface card. In this paper we describe the latest generation of APEnet NIC, APEnet v5, integrated in a PCIe Gen3 board based on a state-of-the-art, 28 nm Altera Stratix V FPGA. The NIC features a network architecture designed following the Remote DMA paradigm and tailored to tightly bind the computing power of modern GPUs to the communication fabric. For the APEnet v5 board we show characterizing figures as achieved bandwidth and BER obtained by exploiting new high performance ALTERA transceivers and PCIe Gen3 compliancy.
Intramyocellular lipids (IMCL) and tissue ordering effects observed by 1H-MRSI at 3 Tesla (2007)

1H-MR spectroscopy of intramyocellular lipids (IMCL) became an important tool in diabetes research and physiology, since there is a complex relation between IMCL and insulin sensitivity. Single voxel techniques at 1.5T often suffer from substantial overlapping of the IMCL resonances by the signals from bulk fat (extramyocellular lipids, EMCL), particularly in obese patients. We present here MR spectroscopic imaging (MRSI) studies in human calf muscles on a 3T MR scanner (Siemens, TRIO), (A) to compare the separation of IMCL and EMCL with 1.5T, (B) to investigate residual coupling in muscles with different fiber orientations, (C) to determine the impact of different sampling strategies (low vs. high resolution).