gebhart/patrepeval huggingface dataset:
Direct dynamics study of<i>N</i>-protonated diglycine surface-induced dissociation. Influence of collision energy (2003)

A quantum mechanical and molecular mechanical (QM + MM) direct dynamics classical trajectory simulation is used to study energy transfer and fragmentation in the surface-induced dissociation (SID) of N-protonated diglycine, (gly)2H+. The peptide ion collides with the hydrogenated diamond [111] surface. The Austin Model 1 (AM1) semiempirical electronic structure theory is used for the (gly)2H+ intramolecular potential and molecular mechanical functions are used for the diamond surface potential and peptide/surface intermolecular potential. The simulations are performed at collision energies Ei of 30, 50, 70, and 100 eV and collision angle of 0 degrees (perpendicular to the surface). The percent energy transfer to the peptide ion is nearly independent of Ei, while energy transfer to the surface increases with increase in Ei. A smaller percent of the energy remains in peptide translation as Ei is increased. These trends in energy transfer are consistent with previous trajectory simulations of SID. At each Ei the most likely initial pathway leading to fragmentation is rupture of the +H3NCH2-CONHCH2COOH bond. Fragmentation occurs by two general mechanisms. One is the traditional Rice-Ramsperger-Kassel-Marcus (RRKM) model in which the peptide ion is activated by its collision with the surface, "bounces off", and then dissociates after undergoing intramolecular vibrational energy redistribution (IVR). The other mechanism is shattering in which the ion fragments as it collides with the surface. Shattering is the origin of the large increase in number of product channels with increase in Ei, i.e., 6 at 30 eV, but 59 at 100 eV. Shattering becomes the dominant dissociation mechanism at high Ei.
A new PSM system: SCAAM with Phase Phirst! (2002)

The Sidewall Chrome Alternating Aperture Mask (SCAAM), a next generation alternating Phase Shift Mask (alt-PSM) structure, has printed 70 nm semi-dense lines and offers the potential for low cost 100 nm imaging with 248 nm light. The SCAAM reticle production process etches the phase topography first and then forms transparent openings to define the image in a conformal chrome layer deposited afterwards. The Phase Phirst! system employs ready-to-write SCAAM blanks with regular pre-patterned surface topography, chrome and resist, eliminating the cost of writing a custom phase pattern on every plate. To use this type of mask, circuit designers would have to place every near-minimum-sized circuit feature (e.g.. gate) at a predefined phase-step location. Interconnections and larger features would be defined using the trim mask.
Quantifying the relation between the morphology and performance of polymer solar cells using Monte Carlo simulations (2008)

Morphology is a crucially important factor determining the efficiency of photocurrent generation in bulk heterojunction polymer solar cells. Morphology, which depends on the characteristics of the polymers as well as on the conditions of phase separation, affects the performance of solar cells by influencing the rate of exciton dissociation and the efficiency of charge carrier transport. Using Monte Carlo simulations, we investigate the effects of annealing time on the morphology of phase separation and charge transfer behavior inside the active layers of polymer solar cells. We find that a suitably defined correlation distance is an effective parameter that quantitatively characterizes different morphologies and can be used to establish a direct link with transmission electron microscopy images of real polymer solar cells. Optimal morphologies have been investigated, showing results that are consistent with experimental data.
Immunodominance of the <i>VH1–46</i> Antibody Gene Segment in the Primary Repertoire of Human Rotavirus-Specific B Cells Is Reduced in the Memory Compartment through Somatic Mutation of Nondominant Clones (2008)

Detailed characterization of Ag-specific naive and memory B cell Ab repertoires elucidates the molecular basis for the generation of Ab diversity and the optimization of Ab structures that bind microbial Ags. In this study, we analyzed the immunophenotype and VH gene repertoire of rotavirus (RV) VP6-specific B cells in three circulating naive or memory B cell subsets (CD19+IgD+CD27-, CD19+IgD+CD27+, or CD19+IgD-CD27+) at the single-cell level. We aimed to investigate the influence of antigenic exposure on the molecular features of the two RV-specific memory B cell subsets. We found an increased frequency of CD19+IgD+CD27+ unclass-switched memory B cells and a low frequency of somatic mutations in CD19+IgD-CD27+ class-switched memory B cells in RV-specific memory B cells, suggesting a reduced frequency of isotype switching and somatic mutation in RV VP6-specific memory B cells compared with other memory B cells. Furthermore, we found that dominance of the VH1-46 gene segment was a prominent feature in the VH gene repertoire of RV VP6-specific naive B cells, but this dominance was reduced in memory B cells. Increased diversity in the VH gene repertoire of the two memory B cell groups derived from broader usage of VH gene segments, increased junctional diversity that was introduced by differential TdT activities, and somatic hypermutation.
Efficient route to phase selective synthesis of type II silicon clathrates with low sodium occupancy (2014)

Phase selective synthesis of type II silicon clathrates from thermal decomposition of NaSi has previously been limited to small quantities due to the simultaneous formation of competing phases. In this work we show that the local sodium vapor pressure during the NaSi precursor decomposition is a critical parameter for controlling phase selection. We demonstrate synthesis techniques that allow us to tune the local Na vapor pressure, yielding type I or II clathrate products that are ≥90 wt.% phase pure. The “cold plate” reactor design discussed in this work maintains low Na vapor pressure during thermal decomposition of NaSi, thus yielding large scale, phase selective synthesis of type II silicon clathrates. The low Na vapor pressure maintained in this reactor is also shown to efficiently produce low Na (x ~ 1; NaxSi136) Si clathrate through Na sublimation. To further reduce sodium occupancy (x < 1), we demonstrate etching of NaxSi136 in HF/HNO3 solutions, which rapidly yields a clathrate product with reduced x. 29Si NMR and electron spin resonance (ESR) characterization validate the low Na occupancy of Si clathrate synthesized. The acid etch also selectively dissolves the type I silicon clathrate impurity phase, thereby enabling the synthesis of large quantities of phase pure type II silicon clathrate with low Na content.
Use of a variable alpha region to create a functional T-cell receptor delta chain. (1988)

Two categories of T-cell antigen-specific receptor have been described. Most mature T lymphocytes have, on their membrane, an antigen receptor consisting of alpha and beta subunits, while early T cells and thymocytes possess a heterodimeric receptor termed gamma-delta. The DS6 clone, isolated from the peripheral blood of a patient with immunodeficiency, is a CD3+, CD4-, CD8- human T-cell line that expresses the disulfide-linked form of the gamma-delta antigen receptor. The nucleotide sequence analysis of DS6 cDNA makes clear that its variable region is a member of an alpha variable-region gene family. We have cloned and sequenced the germ-line joining and variable regions used to create the DS6 delta mRNA. Comparison of these sequences does not show evidence of extensive somatic mutations. The major difference between the germ-line and the T-cell antigen receptor delta cDNA sequence is an insertion of three consecutive nucleotides between the variable and joining segments and is evocative of somatic diversification rather than of the use of a germ-line-encoded diversity region.
The epidemiological analysis of patients in pre-hospital sudden cardiac death for our large and medium sized cities (2010)

Objective To investigate the epidemiological information of patients in pre-hospital sudden cardiac death for our large and medium-sized cities and probe the patients' characteristic. Methods The death data in 2008 were exported from the computer databases of 8 large and medium-sized cities' emergency medical centers in our country. The thorough records of death data were conducted to statistical analysis. Results ①The scheduling time, running time, rescue time, returning time, total time and service radius in the sudden cardiac death group were (2. 12 ± 1.02 ), ( 14. 10 ± 7. 05 ), (24. 79 ± 12.08 ), ( 13.79 ± 6.61 ), (54. 80 ± 25. 36 ) minutes and 7.90 ± 3.92 (km)respectively. ②The patients' amount of sudden cardiac death group was at most in first quarter, and the most time slice of patients' amount was 8:00 ～ 10:00, and the least time slice of patients' amount was 2:00 ～ 4:00. ③The sudden cardiac death amount of male patients was more than that of female patients, and its age was less than that of female patients. ④The percentage of witness' CPR was 4.48%, and the success rates of medical care personnel' CPR was 2. 26%. Conclusion ①The sudden cardiac death is the overriding reason of death in our large and medium-sized cities. ②It is very important to cut the death rate of the middle-old age patients by strengthening prevention and cure of cardiovascular diseases, discerning the critical illness early,improving the level of pre-hospital medical care and popularizing CPR to public.

Key words: 
Pre-hospital medical care; Sudden cardiac death; Epidemiological analysis
Effects of Dynamic Chip-Breaking Upon Surface Microgeometry and Free Chip Dimension (1968)

A process called dynamic chip-breaking introduces a controlled low frequency vibration in the direction of the feed travel of a lathe tool. This superimposed vibration is given an amplitude such that continuous ductile chips are broken prematurely by the action of the tool. The dynamic chip-breaking process can be adjusted to give optimum values for the quality of the surface topography and free chip length. This exploratory study investigates the prospects of breaking chips from ductile materials by methods other than the conventional chip-curling type of breaker. Rational and empirical results are given which provide encouragement for additional development.
A MOLECULAR DYNAMICS SIMULATION OF HEAT CONDUCTION OF A FINITE LENGTH SINGLE-WALLED CARBON NANOTUBE (2003)

Heat conduction of finite-length single-walled carbon nanotubes (SWNTs) was simulated by the molecular dynamics method with Tersoff-Brenner bond order potential. Temperature at each end of an SWNT was controlled by the phantom technique, and the thermal conductivity was calculated with Fourier’s law from the measured temperature gradient and the energy budgets in phantom molecules. The measured thermal conductivity did not converge to a finite value with increase in tube length up to 404 nm, but an interesting power law relation was observed. The phonon density of states and photon dispersion relations were directly extracted from simulation results for further analysis of heat conduction mechanism based on the phonon concept.
Design of minimum-phase FIR digital filter through cepstrum (1986)

A method to design an equiripple minimum-phase FIR filter using the cepstrum is described. This method avoids the complicated polynomial root-finding algorithm of Herrman and Schuessler (1970), or the phase-unwrapping algorithm associated with the complex cepstrum of Mian and Nainar (1982). The differential cepstrum method proposed by Pei and Lu (1986) has aliasing problems and requires the computation of three FFTs. The proposed method requires only two FFT computations and avoids the processing of phase.
Dopant Segregated Schottky (DSS) Source/Drain for Germanium p-MOSFETs with Metal Gate/High-k Dielectric Stack (2009)

Dopant Segregated Schottky (DSS) Source/Drain (S/D) for Germanium p-MOSFETs with Metal Gate/High-k Dielectric Stack are demonstrated for the first time. The MOSFETs were fabricated using a CMOS-compatible process flow and 200 mm Ge-on-Si substrates. Dopant segregation induced by nickel germanide formation in the S/D was achieved using low process temperatures up to 400 degree celcius.
R2: Over-the-air reprogramming on computational RFIDs (2016)

In recent years, Computational RFID tags (CRFIDs) have emerged as viable software-defined platform for academic research and experimentation. In addition to EPC protocol, these tags perform sensing and computation through power scavenging. However, existing CRFIDs are pre-programmed to execute a specific firmware whereas programming tools comprising wired interface and PC-based software are required to erase, modify or reprogram the tag. Such limitation demands an over-the-air (OTA) scheme which can wirelessly upgrade or reprogram the CRFID tags while following the EPC protocol. We present the design, implementation and evaluation of R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> - the first OTA reprogramming scheme for CRFID tags without requiring any modification to EPC protocol, or an upgrade to RFID reader or CRFID tag. We develop a User Interface and realize our scheme on three platforms which include both software-defined as well as chip-based CRFIDs, i.e., WISP5.1 and Optimized WISP (Opt-WISP), and Spider tag. It also includes both the FLASH and FRAM based micro-controller memories. We evaluate our scheme from three aspects: time and energy overhead for reprogramming operation itself; overall system delay to verify the compatibility of R <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> with EPC protocol; success rate in line with interrogation range. We foresee our endeavour to offer viability of OTA reprogramming and upgrade for CRFID systems.
Analysis of Whole Bacterial Cells by Flow Field-Flow Fractionation and Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry (2003)

The purpose of this study is to develop a novel bacterial analysis method by coupling the flow field-flow fractionation (flow FFF) separation technique with detection by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. The composition of carrier liquid used for flow FFF was selected based on retention of bacterial cells and compatibility with the MALDI process. The coupling of flow FFF and MALDI-TOF MS was demonstrated for P. putida and E. coli. Fractions of the whole cells were collected after separation by FFF and further analyzed by MALDI-MS. Each fraction, collected over different time intervals, corresponded to different sizes and possibly different growth stages of bacteria. The bacterial analysis by flow FFF/MALDI-TOF MS was completed within 1 h with only preliminary optimization of the process.
An approximate analytical solution of nonlinear fractional diffusion equation by homotopy analysis method (2011)

In the present paper, the approximate analytical solution of a nonlinear diffusion equation with fractional time derivative  () and with the diffusion term as () are obtained with the help of analytical method of nonlinear problem called the Homotopy Analysis Method (HAM). By using initial value, the explicit solution of the equation for different particular cases have been derived which demonstrate the effectiveness, validity, potentiality and reliability of the method in reality. Numerical results of the fast and slow diffusion for different particular cases are presented graphically. The numerical solutions show that only a few iterations are needed to obtain accurate approximate solutions.

	 

	Key words: Partial differential equation, nonlinear fractional diffusion equation, Brownian motion, homotopy analysis method.
Rydberg atoms in hollow-core photonic crystal fibres (2014)

The exceptionally large polarizability of highly excited Rydberg atoms-six orders of magnitude higher than ground-state atoms--makes them of great interest in fields such as quantum optics, quantum computing, quantum simulation and metrology. However, if they are to be used routinely in applications, a major requirement is their integration into technically feasible, miniaturized devices. Here we show that a Rydberg medium based on room temperature caesium vapour can be confined in broadband-guiding kagome-style hollow-core photonic crystal fibres. Three-photon spectroscopy performed on a caesium-filled fibre detects Rydberg states up to a principal quantum number of n=40. Besides small energy-level shifts we observe narrow lines confirming the coherence of the Rydberg excitation. Using different Rydberg states and core diameters we study the influence of confinement within the fibre core after different exposure times. Understanding these effects is essential for the successful future development of novel applications based on integrated room temperature Rydberg systems.
Polymyxin-dextran antiendotoxin pretreatment in an ovine model of normotensive sepsis (1997)

Pretreatment of sheep in a polymicrobial, peritonitis model of sepsis with polymyxin B-dextran resulted in a significant amelioration of sepsis-induced ultrastructural damage. In placebo-treated control animals, these ultrastructural lesions were associated with a greater severity of sepsis, as measured by the presence of pyrexia, increased lactate concentrations, and less stable blood pressures. These findings justify the investigation of the effects of polymyxin B-dextran in a post onset model of sepsis.
Spaltungsreaktionen an perfluorierten Anhydriden (1970)

Die Darstellung von aus CH 3 N(Si(CH 3 ) 3 ) 2 und P 2 O 3 F 4 wird be-schrieben. Durch Spaltung von F 2 S 2 O 5 mit CH 3 N(Si(CH 3 ) 3 ) 2 und (CH 3 ) 3 SiN=C=NSi(CH 3 ) 3 entstehen FSO 2 - NCH 3 -Si(CH 3 ) 3 und FSO 2 N = C = NSi(CH 3 ) 3 . CF 3 SO 2 OSO 2 CF 3 reagiert mit (CH 3 ) 3 SiN = C = NSi(CH 3 ) 3 , (CH 3 ) 3 SiOSi(CH 3 ) 3 und zum CF 3 SO 2 N= C = NSi(CH 3 ) 3 , CF 3 SO 2 OSi (CH 3 ) 3 und . CF 3 SO 2 NH 2 setzt sich mit (CH 3 ) 3 SiCl in Gegenwart von (C 2 H 5 ) 3 N zum um. Mit dem Salz NaOCNC (CF 3 ) 2 reagiert CF 3 SO 2 OSO 2 CF 3 zum CF 3 SO 2 OCNC (CF 3 ) 2. Bei sämtlichen Reaktionen wird die S - O - S- oder P - O - P-Bindung sehr leicht gespalten. Die neuen Verbindungen sind farblose Flüssigkeiten oder Festkörper. Die IR-, 1 H- und 19 F-KMR-Spektren werden mitgeteilt.
Development of carborane synthons: synthesis and chemistry of (aminoalkyl)carboranes (1992)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDevelopment of carborane synthons: synthesis and chemistry of (aminoalkyl)carboranesJ. Gerald Wilson, A. K. M. Anisuzzaman, F. Alam, and A. H. SolowayCite this: Inorg. Chem. 1992, 31, 10, 1955–1958Publication Date (Print):May 1, 1992Publication History Published online1 May 2002Published inissue 1 May 1992https://pubs.acs.org/doi/10.1021/ic00036a043https://doi.org/10.1021/ic00036a043research-articleACS PublicationsRequest reuse permissionsArticle Views725Altmetric-Citations58LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Effect of the calcination temperature of self-ordered mesoporous silicate on its adsorption characteristics for aromatic hydrocarbons (2005)

We have studied the changes in the adsorption characteristics of mesoporous silicate (SBA-15) for benzene and toluene that are caused by using different calcination temperatures (Tc = 773 to 1173 K) in the synthesis process. We found that SBA-15 calcined at 773 K shows an extremely high benzene selectivity, especially in the low pressure region, while SBA-15 treated at higher Tc shows lower selectivity. In order to analyze the benzene selective mechanism, we studied the structures of the SBA-15 series, including their meso- and microporosity in detail. We found that the BET surface area (SBET) and the peak position of the mesopore diameter (2Rp) decreased, the peak position of the micropore diameter (2rp) increased, and the 2rp distribution became broader with increasing Tc. Among above factors, we conclude that the size and the distribution of 2rp are the most important to achieve a high benzene selectivity.
New ventricular catheter for hydrocephalic shunts (1971)

✓ A new ventricular catheter is described for ventriculoatrial (or peritoneal) shunts. Soft silicone rubber flanges fold back on insertion to protect the holes at the tip from debris. After entering the ventricle, the flanges expand to prevent the catheter from impinging on the ventricular wall. The number of revisions for occluded ventricular catheters has dramatically decreased with its use.
Simulation of bandwidth enhancement on the quarter-wave shorted patch by adding a shorting pin (2002)

Microstrip antennas have the attractive features of low profile and light weight. They can be made conformal to mounting structures. For microstrip antennas which operate in the lower microwave frequency range, however, their size may be too large for practical applications. Several techniques have been proposed to reduce the size of the conventional half-wave patch. However, these approaches would lead to narrow bandwidth. We apply the shorting pin approach on the shorting edge quarter-wave patch. All the simulation results are demonstrated by the simulation software package, IE3D 7.0. The impedance bandwidth obtained is as much as 16.3% for SWR <2, where the thickness of the patch is only 0.053/spl lambda//sub O/, If only a shorting edge quarter-wave patch has the same thickness and without the shorting pin, the impedance bandwidth is only 9.2%.
The Potential Impacts of Climate Change on Water Resources Management of the Coliban Supply System (2003)

There is now strong evidence that global warming is occurring and will continue in the foreseeable future. This will lead to changes in precipitation patterns and other climate variables. Changes in precipitation are usually amplified in runoff. Higher temperatures increase potential evapotranspiration, which may lead to a reduction in runoff and soil moisture levels. These changes are likely to require a significant planning response to land and water resources design and management. This paper outlines the process undertaken to assess the potential impacts of climate change on the security of the Coliban Water Supply System in north central Victoria and discusses the implications on management of the system. A REALM network model of the system was used to compare security of supply in 30 years time under existing climate conditions and predicted climate change conditions. Two climate change scenarios were analysed - the upper limit increase in streamflow and the upper limit decrease in streamflow, based on data published by the CSIRO. The results indicate the potential for significant reduction in security of supply. The implications for management of the Coliban Water Supply System are still being developed as part of the strategic planning process. Discussion focuses on mitigation strategies that could be considered by water authorities in response to climate change information.