gebhart/patrepeval huggingface dataset:
Introduction to the IAAI Articles in This Issue: Emerging Innovative Applications of Artificial Intelligence 2012 (2012)

This issue of AI Magazine contains the Robert S. Engelmore Memorial Lecture paper and expanded versions of articles that discuss emerging applications from IAAI‐12 .
Enantioselective Synthesis of (S)‐α‐Arylpropionic Acids via Pd‐Catalyzed Kinetic Resolution of Benzylic Alcohols. (2005)

Abstract For Abstract see ChemInform Abstract in Full Text.
Direct Palladium-Catalyzed C-2 and C-3 Arylation of Indoles:  A Mechanistic Rationale for Regioselectivity (2005)

We have recently developed palladium-catalyzed methods for direct arylation of indoles (and other azoles) wherein high C-2 selectivity was observed for both free (NH)-indole and (NR)-indole. To provide a rationale for the observed selectivity ("nonelectrophilic" regioselectivity), mechanistic studies were conducted, using the phenylation of 1-methylindole as a model system. The reaction order was determined for iodobenzene (zero order), indole (first order), and the catalyst (first order). These kinetic studies, together with the Hammett plot, provided a strong support for the electrophilic palladation pathway. In addition, the kinetic isotope effect (KIE(H/D)) was determined for both C-2 and C-3 positions. A surprisingly large value of 1.6 was found for the C-3 position where the substitution does not occur (secondary KIE), while a smaller value of 1.2 was found at C-2 (apparent primary KIE). On the basis of these findings, a mechanistic interpretation is presented that features an electrophilic palladation of indole, accompanied by a 1,2-migration of an intermediate palladium species. This paradigm was used to design new catalytic conditions for the C-3 arylation of indole. In case of free (NH)-indole, regioselectivity of the arylation reaction (C-2 versus C-3) was achieved by the choice of magnesium base.
Direct observation of microbubble oscillations (1996)

A direct imaging system is introduced to study the oscillations of microbubbles acoustically levitated in water. The bubble is illuminated with a light emitting diode (LED) which is strobed at a frequency different from the driving sound field. This technique slows the moving image of the bubble, allowing one to observe the shape of a bubble oscillating between 5 to 100 μm in diameter. The bubble shapes are recorded on video tape and then analyzed by an automatic image analysis system which gives the variations of bubble diameter versus time. Experiments were performed with and without the bubbles sonoluminescing. Asymmetric shapes of the bubbles were observed in some cases.
Nanoporous S-Layer Protein Lattices. A Biological Ion Gate with Calcium Selectivity (2007)

S-layer protein lattice fragments isolated from the bacterium Deinococcus radiodurans were adsorbed onto chemically modified silicon substrates to produce nanoporous membranes containing uniformly sized pores with dimensions between 2 and 7 nm. The gating characteristics of the nanoporous membranes toward various ionic species were evaluated using electrochemical impedance spectroscopy. Our results reveal that the immobilized S-layers undergo a strong interaction with cations, especially Ca2+ ions. We observed for the first time ionic currents flowing through the nanoporous regions of the protein, pointing to an ion transport mechanism of gating. Our observations suggest that ion transport is mainly due to the presence of an electrical gradient inside the pores. The origin of the observed selectivity is discussed.
Compact Nano-Antenna Emitters for Optical Phased Array Applications (2012)

We propose and experimentally demonstrate nano-antenna emitters coupled to a dielectric waveguide. Initial measured emitter efficiencies are 4.9 – 13% with simulations predicting &gt; 50% efficiencies with bandwidths exceeding 300nm in more advanced and ideally fabricated geometries.
Simulation of the Magnetization Dynamics of a Single-Domain BiFeO₃ Nanoisland (2020)

The switching dynamics of a single-domain BiFeO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> nanoscale nanoisland is investigated by studying the dynamics of polarization and Neel vector. We use the Landau-Khalatnikov (LK) equation to describe the evolution of the ferroelectric polarization, and we implement the Landau-Lifshitz-Gilbert (LLG) equations to model the dynamics of spins in two sublattices and the time evolution of the antiferromagnetic order (Neel vector) in a G-type antiferromagnet. Our model can calculate the weak magnetization more accurately compared to previous works on the antiferromagnet using the Neel vector as the order parameter and weak magnetization are often neglected. This work also theoretically demonstrates that the rotation of the magnetic hard-axis, which follows the polarization reversal, can reverse the Neel vector while the weak magnetization remains unchanged. The simulation results are consistent with the ab initio calculations, where the Neel vector rotates during polarization rotation, and also match our calculation of the dynamics of the order parameter using Landau-Ginzburg theory. We also find that the switching time of the Neel vector is a strong function of the polarization switching time and can be as short as 30ps if the polarization can switch faster. However, the Neel vector does not reverse if the polarization switches in less than 30ps.
REVIEW ARTICLE; ANTICANCER ACTIVITIES OF SOME FUSED HETEROCYCLIC MOIETIES CONTAINING NITROGEN AND/OR SULFUR HETEROATOMS (2020)

Cancer cells often have a high demand for antiapoptotic proteins in order to resist programmed cell death. Heterocyclic compounds present themselves as a fundamental division of organic chemistry. Most clinically effective antitumor agents are inhibitors of DNA, RNA or protein synthesis, enzyme inhibition and/or interfere with the metabolism of other cell components, frequently lacking or displaying poor selective antitumor activity. The majority of heterocycle compounds and typically common heterocycle fragments present in most pharmaceuticals currently marketed, alongside with their intrinsic versatility and unique physicochemical properties have poised them as true cornerstones of medicinal chemistry. The S-heterocyclic core (Thiophene) has been reported to possess significant importance in various fields from medicinal chemistry. Many diverse biologically active products were prepared, several of which exhibited antimicrobial, analgesic, anti-inflammatory, antioxidant, antitumor, local anesthetic, anticoagulant and antithrombotic activities. Many N-heterocyclic compounds that are broadly distributed in Nature, possess physiological and pharmacological properties and are constituents of many biologically important molecules, including many vitamins, nucleic acids, pharmaceuticals, antibiotics, dyes and agrochemicals, amongst many others. The base pairs of DNA and RNA (Guanine, cytosine, adenine, and thymine) are also made up of N-heterocyclic compounds, namely purines, pyrimidines, etc. These nitrogen-containing heterocyclic molecules with distinct characteristics and applications have gained prominence in the rapidly expanding fields of organic and medicinal chemistry and the pharmaceutical industry. Finally, many of these compounds have higher activity against cancer cells using the standard MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)assay.
Osimertinib-tolerant lung cancer cells are susceptible to ferroptosis (2022)

Tyrosine kinase inhibitors of epidermal growth factor receptor (EGFR-TKIs), such as osimertinib, show great success in non-small-cell lung cancer patients with EGFR mutated tumors. However, almost all patients develop resistance to EGFR-TKIs owing to secondary EGFR mutations. Although genetic and irreversible resistance mechanisms have been proposed, little is known about non-genetic and reversible resistance mechanisms. From this perspective, a recent study revealed that acute drug exposure generates drug-tolerant persister cells (DTPs) as a form of non-genetic resistance. However, the biological characteristics of DTPs remain unclear. As lipid peroxidation is related to cancer progression and drug resistance, we focused on ferroptosis, namely programmed cell death induced by the accumulation of lipid peroxides, in DTPs. We examined the biological characteristics of ferroptosis in osimertinib-mediated DTPs derived from PC9 lung adenocarcinoma cells. Unlike PC9 cells, established PC9 DTPs were highly sensitive to the ferroptosis inducer RSL3. Accordingly, PC9 DTPs had increased levels of lipid reactive oxygen species and ferrous ion accumulation. Moreover, RSL3-mediated cell death in PC9 DTPs was completely rescued by treatment with the iron chelator deferoxamine. These results suggest that PC9 DTPs showed increased intracellular ferrous ion accumulation and were susceptible to ferroptosis.
Temporal fine structure in cochlear implants: Preliminary speech perception results in Cantonese-speaking implant users (2010)

Mean tone identification scores in 12 subjects were 59.2% with CIS and 59.2% with fine structure stimulation using 4 TFS channels, mean scores of CHINT sentences in 8 subjects were 54.2% with CIS and 55.9% with TFS stimulation. Differences between the two strategies were not significant for any speech test. Two additional versions of TFS strategy and pulse rates were tested in six subjects. No significant differences between strategies were found.
Fabrication and characterization of an L3 nanocavity designed by an iterative machine-learning method (2021)

Optical nanocavities formed by defects in a two-dimensional photonic crystal (PC) slab can simultaneously realize a very small modal volume and an ultrahigh quality factor (Q). Therefore, such nanocavities are expected to be useful for the enhancement of light–matter interaction and slowdown of light in devices. In the past, it was difficult to design a PC hole pattern that makes sufficient use of the high degree of structural freedom of this type of optical nanocavity, but very recently, an iterative optimization method based on machine learning was proposed that efficiently explores a wide parameter space. Here, we fabricate and characterize an L3 nanocavity that was designed by using this method and has a theoretical Q value of 29 × 106 and a modal volume of 0.7 cubic wavelength in the material. The highest unloaded Q value of the fabricated cavities is 4.3 × 106; this value significantly exceeds those reported previously for an L3 cavity, i.e., ≈2.1 × 106. The experimental result shows that the iterative optimization method based on machine learning is effective in improving cavity Q values.
ChemInform Abstract: Palladium‐Catalyzed Amination of Aryl Triflates. (1997)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
<title>Optical system for high-throughput EUV lithography</title> (1996)

The designed optical system, which included an illumination optics and an imaging optics, consists of only one grazing-incidence mirror and a two-aspheric-mirror optics with a synchrotron radiation (SR) as a light-source. The illumination optics provides uniform illumination and high-collection efficiency of radiation from the SR. Since there are only four bounces in this system, including the reflective-mask bounce, this optical system has higher throughput. A throughput of 20-30 wafers/hour is predicted with the designed optics. A one- quarter-size prototype of the designed imaging optics was constructed with the numerical aperture of 0.1 and the magnification of 1/5. The efficiency of 60 percent (obtaining dose per estimated one) was obtained with AZ-PN 100 resist in the experiment. A minimum pattern of 0.12-micrometers lines and spaces was printed on a 0.15-micrometers -thick layer of AZ-PN 100 resist.
MicroRNA Changes Occur in Multiple Myeloma Cells in the Context of Bone Marrow Milieu. (2009)

Abstract Abstract 1785 Poster Board I-811 Background We and Others have previously demonstrated that primary multiple myeloma (MM) cells are characterized by a specific microRNA (miRNA) signature compared to the related normal plasmacell counterpart; and that miRNAs play a crucial role in regulating MM pathogenesis. Nevertheless, miRNA changes that occur in MM cells in the context of the bone marrow microenvironment have not been previously examined. Therefore, characterization of miRNA profiling of MM cells in conjunction with bone marrow stromal cells (BMSCs) is important to better understand the underlying molecular changes that lead to initiation and progression of this disease. Methods We performed miRNA-expression-profiling of MM cell lines (MM.1S; RPMI8226) that were co-cultured with primary BMSCs obtained from 5 MM patients, using liquid phase Luminex microbead miRNA profiling (Luminex, Austin, TX). The expression patterns of unfiltered data were performed using unsupervised hierarchical clustering of samples, based on centroid linkage and 1-correlation distance metric, using dChip (www.dchip.org). To further define those miRNAs differentially expressed between groups (patients vs normal), the data were filtered on significance of differences using ANOVA test, (P &lt; 0.05). Microbead-miRNA profiling data were validated data by stem-loop qRT-PCR. To identify specific predicted miRNA-targeted mRNAs, TargetScan, PicTar, and miRanda algorithms were used. Results miRNA profiling of MM cells cultured with primary BMSCs (MM+BMSC system) differs from MM cells which were not grown in contact with primary BMSCs (MM cells alone). Specifically, we observed increased expression of miRNA-450, -432*, -299-5p, -409-3p, -29b, -542-5p, -184, -517*, -218, 128b, -142-5p and -211 (P&lt;0.05) in MM cells obtained from the MM+BMSC system, compared to MM cells alone. Stem-loop qRT-PCR was performed on matched samples and showed expression patterns similar to those observed in miRNA analysis. Using algorithms commonly used to predict human miRNA gene targets (miRanda; TargetScan; PicTar), predicted targets of the increased miRNAs included negative regulators of NFkB, PI3K/Akt/mTOR, and MAPK/ERK signaling pathways, such as PTEN, KSR2, TWEAK, and DUSP; as well as tumor suppressors (MCC, TSSC1, TUSC1, FBW7, RHOBTB), pro-apoptotic factors and cyclin-dependent kinases inhibitors. These data demonstrate that bone marrow stromal cells exert a modulatory effect on miRNA profiling in MM cells, which results in promoting MM cell growth and reducing MM cell survival. Disclosures Ghobrial: Millennium : Honoraria, Research Funding, Speakers Bureau; Celgene: Consultancy, Honoraria, Speakers Bureau; Novartis: Honoraria, Speakers Bureau.
Polar Dynamics at a Functional Group Level: Infrared‐Visible Sum‐Frequency Generation Study on Polar Columnar Liquid Crystals (2017)

Organic ferroelectrics (OFEs) are an attractive topic in material science because of their usefulness in modern technologies. There are a variety of OFEs that have been developed through various approaches using various materials. To further design and understand OFEs, it is essentially important to evaluate the dynamical behaviors of individual molecules during polarization switching. Although recent developments in theoretical calculations offer powerful tools to predict how molecules assemble into complex structures at the molecular level, it is still too difficult to determine the dynamics in response to external stimuli at the functional group level. Here, this study adopts infrared‐visible sum‐frequency generation (IV‐SFG) to probe the electric‐field‐induced dynamics at the functional group level and reports on the switching mechanism of the bulk ferroelectricity and paraelectricity in an organic system for the first time. This paper demonstrates an IV‐SFG study on a recently‐discovered polar columnar liquid crystal system of tapered‐paraffinic‐wedge molecules, whose favorable wet‐processability may provide a suitable design for “paintable” organic ferroelectrics. Dynamic motions of dipoles, such as of phthalonitriles and amides, are successfully probed. In ferroelectric compounds, the phthalonitriles are responsible both for the ferroelectric and paraelectric switching, whereas the amides only for the ferroelectric switching.
GRE-in-UDP Encapsulation (2017)

This document specifies a method of encapsulating network protocol
packets within GRE and UDP headers. This GRE-in-UDP encapsulation
allows the UDP source port field to be used as an entropy field. This
may be used for load-balancing of GRE traffic in transit networks
using existing Equal-Cost Multipath (ECMP) mechanisms. There are two
applicability scenarios for GRE-in-UDP with different requirements:
(1) general Internet and (2) a traffic-managed controlled environment.
The controlled environment has less restrictive requirements than the
general Internet.
A method to evaluate dynamic cerebral pressure-flow relationships in the conscious rat (2021)

The classic dogma of cerebral autoregulation is that cerebral blood flow is steadily maintained across a wide range of perfusion pressures. This has been challenged by recent studies suggesting little to no "autoregulatory plateau" in the relationship between cerebral blood flow and blood pressure (BP). Therefore, the mechanisms underlying the cerebral pressure-flow relationship still require further understanding. Here, we present a novel approach to examine dynamic cerebral autoregulation in conscious Wistar rats (<i>n</i> = 16) instrumented to measure BP and internal carotid blood flow (iCBF), as an indicator of cerebral blood flow. Transient reductions in BP were induced by occluding the vena cava via inflation of a chronically implanted intravascular silicone balloon. Falls in BP were paralleled by progressive decreases in iCBF, with no evidence of a steady-state plateau. No significant changes in internal carotid vascular resistance (iCVR) were observed. In contrast, intravenous infusions of the vasoactive drug sodium nitroprusside (SNP) produced a similar fall in BP but increases in iCBF and decreases in iCVR were observed. These data suggest a considerable confounding influence of vasodilatory drugs such as SNP on cerebrovascular tone in the rat, making them unsuitable to investigate cerebral autoregulation. We demonstrate that our technique of transient vena cava occlusion produced reliable and repeatable depressor responses, highlighting the potential for our approach to permit assessment of the dynamic cerebral pressure-flow relationship over time in conscious rats.<b>NEW & NOTEWORTHY</b> We present a novel technique to overcome the use of vasoactive agents when studying cerebrovascular dynamics in the conscious rat. Our method of vena cava occlusion to reduce BP was associated with decreased iCBF and no change in iCVR. In contrast, comparable BP falls with intravenous SNP increased iCBF and reduced iCVR. Thus, the dynamic cerebral pressure-flow relationship shows a narrower, less level autoregulatory plateau than conventionally thought. We confirm our method allows repeatable assessment of cerebrovascular dynamics in conscious rats.
Adsorption interaction of astatine species with quartz and gold surfaces (2011)

Abstract The adsorption interaction of various astatine species with quartz and gold surfaces was investigated by gas chromatography methods. Due to variations of the redox potential of the carrier gas elemental astatine, astatine oxide and hypo-astatic acid have been produced. The identification of the astatine compounds is based on the analogy assumption to the gas phase chemistry of the closest homologues in group 17 of the periodic table, iodine and bromine. The deposition temperatures as well as enthalpies of adsorption have been determined for the astatine species. The enhancement of the metallic character within group 17 towards higher Z is clearly confirmed. Macroscopic properties (sublimation enthalpy) of previously unstudied AtO 2 and HAtO were estimated. The determined data for elemental astatine were compared to available literature data. Based on the obtained experimental results possible designs of experiments for studying of chemical properties of the recently discovered element 117 can be suggested.
Faculty Opinions recommendation of Pertussis toxin inhibits neutrophil recruitment to delay antibody-mediated clearance of Bordetella pertussis. (2005)

Whooping cough is considered a childhood disease, although there is growing evidence that children are infected by adult carriers. Additionally, increasing numbers of vaccinated adults are being diagnosed with Bordetella pertussis disease. Thus it is critical to understand how B. pertussis remains endemic even in highly vaccinated or immune populations. Here we used the mouse model to examine the nature of sterilizing immunity to B. pertussis. Antibodies were necessary to control infection but did not rapidly clear B. pertussis from the lungs. However, antibodies affected B. pertussis after a delay of at least a week by a mechanism that involved neutrophils and Fc receptors, suggesting that neutrophils phagocytose and clear antibody-opsonized bacteria via Fc receptors. B. pertussis blocked migration of neutrophils and inhibited their recruitment to the lungs during the first week of infection by a pertussis toxin-dependent (PTx-dependent) mechanism; a PTx mutant of B. pertussis induced rapid neutrophil recruitment and was rapidly cleared from the lungs by adoptively transferred antibodies. Depletion of neutrophils abrogated the defects of the PTx mutant. Together these results indicate that PTx inhibits neutrophil recruitment, which consequently allows B. pertussis to avoid rapid antibody-mediated clearance and therefore successfully infect immune hosts. PMID: 16294220 Funding information This work was supported by: NIAID NIH HHS, United States Grant ID: R01 AI053075-05 NIAID NIH HHS, United States Grant ID: R01 AI053075-04S1 NIAID NIH HHS, United States Grant ID: R01 AI053075-04 NIAID NIH HHS, United States Grant ID: R01 AI053075-03 NIAID NIH HHS, United States Grant ID: R01 AI053075-02 NIAID NIH HHS, United States Grant ID: R01 AI053075-01A1 NIAID NIH HHS, United States Grant ID: R01 AI053075 NIAID NIH HHS, United States Grant ID: 5-R01-AI053075-02 More Less keyboard_arrow_down
A Broadband Absorber With a Resistive Pattern Made of Ink With Graphene Nano-Platelets (2014)

A novel type of a broadband flexible electromagnetic absorbing panel made of a resistive pattern printed on a dielectric spacer backed by a conducting surface is investigated in this paper. It is shown that an appropriate choice of the shape and sheet resistance of the pattern allows extending an absorption spectrum up to an octave and beyond, which is very competitive over alternative solutions. The pattern is made of ink with graphene nano-platelets, which allows achieving expected sheet resistance with decent repeatability, what is confirmed with measurements undertaken with the DC point probe and microwave dielectric resonator techniques. An exemplary sample of the proposed absorber is manufactured and characterized, indicating a very good agreement between theoretical study and experiments.
Numerical analysis and IR scan test for thermal resistance of GaAs MMIC in a communications satellite (2006)

Thermal resistance of a 3GHz power amplifier MMIC has been calculated with finite element (FE) analyses. Through comparative FE analyses it has been found that a carrier for infrared (IR) scan test should have high thermal conductivity if it is for measuring thermal resistance of an MMIC only. IR scan results showed that the FE analysis provided temperature distribution quite close to the real and, also, that IR scans could not measure the maximum channel temperature because of not enough resolution. Consequently it has been proved that the FE method can provide more realistic thermal resistance of an MMIC than IR scan test when the gate length is smaller than IR scanner’s resolution as well as when the gate is screened by an airbridge.