gebhart/patrepeval huggingface dataset:
Bithiophenesulfonamide Building Block for π-Conjugated Donor–Acceptor Semiconductors (2016)

We report here π-conjugated small molecules and polymers based on the new π-acceptor building block, bithiophenesulfonamide (BTSA). Molecular orbital computations and optical, electrochemical, and crystal structure analyses illuminate the architecture and electronic structure of the BTSA unit versus other acceptor building blocks. Field-effect transistors and photovoltaic cells demonstrate that BTSA is a promising unit for the construction of π-conjugated semiconducting materials.
Investigating multi-touch gestures as a novel biometric modality (2012)

We propose a new behavioral biometric modality based on multi-touch gestures. We define a canonical set of multi-touch gestures based on the movement characteristics of the palm and fingertips being used to perform the gesture. We developed an algorithm to generate and verify multi-touch gesture templates. We tested our techniques on a set of 22 different gestures. Employing a matching algorithm for a multi-touch verification system with a k-NN classifier we achieved 1.28% Equal Error Rate (EER). With score-based classifiers where only the first five samples of a genuine subject were considered as templates, we achieved 4.46 % EER. Further, with the combination of three commonly used gestures: pinch, zoom, and rotate, using all five fingers, 1.58% EER was achieved using a score-based classifier. These results are encouraging and point to the possibility of touch based biometric systems in real world applications like user verification and active authentication.
A Simple Approach for Obtaining High Resolution, High Sensitivity ¹H NMR Metabolite Spectra of Biofluids with Limited Mass Supply (2006)

A simple approach is reported that yields high resolution, high sensitivity 1 H NMR spectra of intact biofluids with limited mass supply. This is achieved by spinning a capillary sample tube containing a biofluid at the magic angle and at a spinning rate of about 80Hz. A 2D pulse sequence called 1 H PASS is used to produce a high-resolution 1 H NMR spectrum that is free from magnetic susceptibility induced line broadening. Using this new approach a high resolution 1 H NMR spectrum of biofluids with a volume less than 1.0 μl can be achieved at a magnetic field strength as low as 7.05T. Furthermore, the methodology facilitates easy sample handling and is suitable for high throughput investigations. In this paper first results are shown obtained at a magnetic field of 7.05T on urine samples collected from mice using a modified commercial NMR probe. Key words: 1 H NMR, biofluid, metabolites, slow magic angle spinning, capillary sample tube. Metabolites are chemical compounds that are classified as reactants (substrates), intermediates, or byproducts in a cellular metabolic pathway, and include carbon compounds with a molecular weight typically in the range 100-1000. Metabolomics, the characterization of the metabolic composition of a biological specimen, and metabonomics, the quantitative study of the changes in the metabolic profiles of
A Very Simple, Highly Stereoselective and Modular Synthesis of Ferrocene‐Based P‐Chiral Phosphine Ligands. (2006)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Time—Intensity Profiles of Dipeptide Sweeteners (1991)

We have prepared a number of potently sweet L-aspartyl-D-phenyl and D-heteroaromatic glycine esters and amides. Many of these compounds display a slightly delayed onset of sweetness and a persistent sweet aftertaste. The time-intensity profiles (TIP) of these and other aspartic acid amides were determined using a crossmodal matching technique where sweetness intensity was correlated with sound intensity. The persistence of the sweet taste appears to be related to hydrophobicity.
Addition of K22 Converts Spider Venom Peptide Pme2a from an Activator to an Inhibitor of NaV1.7 (2020)

Spider venom is a novel source of disulfide-rich peptides with potent and selective activity at voltage-gated sodium channels (Na<sub>V</sub>). Here, we describe the discovery of μ-theraphotoxin-Pme1a and μ/<i>δ</i>-theraphotoxin-Pme2a, two novel peptides from the venom of the Gooty Ornamental tarantula <i>Poecilotheria</i> <i>metallica</i> that modulate Na<sub>V</sub> channels. Pme1a is a 35 residue peptide that inhibits Na<sub>V</sub>1.7 peak current (IC<sub>50</sub> 334 ± 114 nM) and shifts the voltage dependence of activation to more depolarised membrane potentials (V<sub>1/2</sub> activation: Δ = +11.6 mV). Pme2a is a 33 residue peptide that delays fast inactivation and inhibits Na<sub>V</sub>1.7 peak current (EC<sub>50</sub> > 10 μM). Synthesis of a [+22K]Pme2a analogue increased potency at Na<sub>V</sub>1.7 (IC<sub>50</sub> 5.6 ± 1.1 μM) and removed the effect of the native peptide on fast inactivation, indicating that a lysine at position 22 (Pme2a numbering) is important for inhibitory activity. Results from this study may be used to guide the rational design of spider venom-derived peptides with improved potency and selectivity at Na<sub>V</sub> channels in the future.
Microgravity validation of a novel system for RNA isolation and multiplex quantitative real time PCR analysis of gene expression on the International Space Station (2017)

The International Space Station (ISS) National Laboratory is dedicated to studying the effects of space on life and physical systems, and to developing new science and technologies for space exploration. A key aspect of achieving these goals is to operate the ISS National Lab more like an Earth-based laboratory, conducting complex end-to-end experimentation, not limited to simple microgravity exposure. Towards that end NASA developed a novel suite of molecular biology laboratory tools, reagents, and methods, named WetLab-2, uniquely designed to operate in microgravity, and to process biological samples for real-time gene expression analysis on-orbit. This includes a novel fluidic RNA Sample Preparation Module and fluid transfer devices, all-in-one lyophilized PCR assays, centrifuge, and a real-time PCR thermal cycler. Here we describe the results from the WetLab-2 validation experiments conducted in microgravity during ISS increment 47/SPX-8. Specifically, quantitative PCR was performed on a concentration series of DNA calibration standards, and Reverse Transcriptase-quantitative PCR was conducted on RNA extracted and purified on-orbit from frozen Escherichia coli and mouse liver tissue. Cycle threshold (Ct) values and PCR efficiencies obtained on-orbit from DNA standards were similar to Earth (1 g) controls. Also, on-orbit multiplex analysis of gene expression from bacterial cells and mammalian tissue RNA samples was successfully conducted in about 3 h, with data transmitted within 2 h of experiment completion. Thermal cycling in microgravity resulted in the trapping of gas bubbles inside septa cap assay tubes, causing small but measurable increases in Ct curve noise and variability. Bubble formation was successfully suppressed in a rapid follow-up on-orbit experiment using standard caps to pressurize PCR tubes and reduce gas release during heating cycles. The WetLab-2 facility now provides a novel operational on-orbit research capability for molecular biology and demonstrates the feasibility of more complex wet bench experiments in the ISS National Lab environment.
Interrupted PROGRAM and ERASE Operations for Characterizing Radiation Effects in Commercial NAND Flash Memories (2015)

A technique of interrupting PROGRAM and ERASE operations is used to extract information about the analog characteristics of commercial NAND Flash memory cells. The number of interrupted PROGRAM or ERASE operations required to cause a bit to change state is shown to be modified by program/erase stress, total ionizing dose, and heavy ion exposure. These modifications allow for the detection of stresses far below the thresholds for memory cell failure.
DNA Sequence of the Common Nodulation Genes of<i>Bradyrhizobium elkanii and</i>Their Phylogenetic Relationship to Those of Other Nodulating Bacteria (1994)

A 6.6-kb BamHI fragment containing the common nodulation genes of Bradyrhizobium elkanii USDA94 was identified by southern hybridization using the common nod genes of B. japonicum as a probe. This fragment was cloned and sequenced. Analysis of the sequence showed open reading frames highly homologous to nolA, nodD2, nodD1, and nodKABC from other bradyrhizobial sources. The sequence showed higher homology to the common nod genes of Bradyrhizobium sp. (Parasponia) than to those from B. japonicum. The open reading frame identified between nodD1 and nodA in the B. elkanii sequence was far more similar to nodK from Bradyrhizobium sp. (Parasponia) than to nodY from B. japonicum. The molecular phylogeny of nodD and nodAB from many sources was analyzed. The genetic distance between the nod genes is far greater than the distance between the 16S rRNA and nifH genes. The differences between the nod genes among the species of Rhizobium is as great as that between Bradyrhizobium and Rhizobium. The host range of the microsymbiont was found to be a better predictor of the similarities of the common nod genes than the 16S rRNA or nifH genes. We propose two groups of nod genes among the rhizobia and bradyrhizobia, based on molecular phylogenetic analysis: those which nodulate legumes of temperate origin in the tribes Vicieae or Trifolieae and those which nodulate legumes of tropical origin in the tribe Phaseoleae.
Electron Diffraction Structure Solution of a Nanocrystalline Zeolite at Atomic Resolution (1999)

Electron diffraction data are used to obtain the structure solution of a large-pore, high-silica zeolite, SSZ-48 that contains an occluded organic structure directing agent. The structure is determined by electron diffraction refinement and is confirmed by high-resolution transmission electron microscopy and Rietveld refinement of powder synchrotron X-ray data. The structure is found to contain a one-dimensional pore system circumscribed by 12 tetrahedral atoms (12 MR). SSZ-48 is the most complex three-dimensional material to be solved at atomic resolution using electron diffraction methods and illustrates the power of electron diffraction data for resolving the structures of materials that form crystals too small for standard single-crystal X-ray analysis.
Monoallelic maternal expression of STAT5A affects embryonic survival in cattle (2009)

Our results imply that STAT5A affects embryonic survival in a manner influenced by developmental stage and allele parent of origin.
Telomere-telomere recombination is an efficient bypass pathway for telomere maintenance in Saccharomyces cerevisiae (1999)

Many Saccharomyces telomeres bear one or more copies of the repetitive Yâ² element followed by â¼350 bp of telomerase-generated C1â3A/TG1â3 repeats. Although most cells lacking a gene required for the telomerase pathway die after 50 to 100 cell divisions, survivors arise spontaneously in such cultures. These survivors have one of two distinct patterns of telomeric DNA (V. Lundblad and E. H. Blackburn, Cell 73:347â360, 1993). The more common of the two patterns, seen in type I survivors, is tandem amplification of Yâ² followed by very short tracts of C1â3A/TG1â3 DNA. By determining the structure of singly tagged telomeres, chromosomes in type II survivors were shown to end in very long and heterogeneous-length tracts of C1â3A/TG1â3 DNA, with some telomeres having 12 kb or more of C1â3A/TG1â3 repeats. Maintenance of these long telomeres required the continuous presence of Rad52p. Whereas type I survivors often converted to the type II structure of telomeric DNA, the type II pattern was maintained for at least 250 cell divisions. However, during outgrowth, the structure of type II telomeres was dynamic, displaying gradual shortening as well as other structural changes that could be explained by continuous gene conversion events with other telomeres. Although most type II survivors had a growth rate similar to that of telomerase-proficient cells, their telomeres slowly returned to wild-type lengths when telomerase was reintroduced. The very long and heterogeneous-length telomeres characteristic of type II survivors in Saccharomyces are reminiscent of the telomeres in immortal human cell lines and tumors that maintain telomeric DNA in the absence of telomerase.
A unique optical arrangement for obtaining spectrally resolved confocal images (1999)

The design for a confocal beam-scanning microscope with a unique optical configuration for the rapid acquisition of spectrally resolved images is presented. The novel aspect of the optical configuration is the location of the detection device, which is placed in an intermediate position between fully descanned detection and nondescanned detection (direct projection). This placement allows for the practical implementation of spectrally resolved confocal imaging. The device is demonstrated by the spectral resolution of a sample of fluorescently labeled microbeads.
Real-time object tracking from a moving video camera: a software approach on a PC (2002)

We demonstrate a real time system for image registration and moving object detection. The algorithm is based on describing the displacement of a point as a probability distribution over a matrix of possible displacements. A small set of randomly selected points is used to compute the registration parameters. Moving object detection is based on the consistency of the probabilistic displacement of image points with the global image motion.
ChemInform Abstract: Synthesis and Structure‐Activity Relationships of Pyrazolo(4,3‐d)pyrimidin‐7‐ones as Adenosine Receptor Antagonists. (1987)

Abstract Nitration of the pyrazoles (I) produces the nitro derivatives (II) which are transformed to the pyrazolo(4,3‐d)pyrimidinones (VII).
Activity of <i>N</i> -Acetylcysteine Alone and in Combination with Colistin against Pseudomonas aeruginosa Biofilms and Transcriptomic Response to <i>N</i> -Acetylcysteine Exposure (2022)

Chronic colonization by Pseudomonas aeruginosa is critical in cystic fibrosis (CF) and other chronic lung diseases, contributing to disease progression. Biofilm growth and a propensity to evolve multidrug resistance phenotypes drastically limit the available therapeutic options. In this perspective, there has been growing interest in evaluating combination therapies, especially for drugs that can be administered by nebulization, which allows high drug concentrations to be reached at the site of infections while limiting systemic toxicity. Here, we investigated the potential antibiofilm activity of <i>N</i>-acetylcysteine (NAC) alone and in combination with colistin against a panel of P. aeruginosa strains (most of which are from CF patients) and the transcriptomic response of a P. aeruginosa CF strain to NAC exposure. NAC alone (8,000 mg/L) showed a limited and strain-dependent antibiofilm activity. Nonetheless, a relevant antibiofilm synergism of NAC-colistin combinations (NAC at 8,000 mg/L plus colistin at 2 to 32 mg/L) was observed with all strains. Synergism was also confirmed with the artificial sputum medium model. RNA sequencing of NAC-exposed planktonic cultures revealed that NAC (8,000 mg/L) mainly induced (i) a Zn<sup>2+</sup> starvation response (known to induce attenuation of P. aeruginosa virulence), (ii) downregulation of genes of the denitrification apparatus, and (iii) downregulation of flagellar biosynthesis pathway. NAC-mediated inhibition of P. aeruginosa denitrification pathway and flagellum-mediated motility were confirmed experimentally. These findings suggested that NAC-colistin combinations might contribute to the management of biofilm-associated P. aeruginosa lung infections. NAC might also have a role in reducing P. aeruginosa virulence, which could be relevant in the very early stages of lung colonization. <b>IMPORTANCE</b> Pseudomonas aeruginosa biofilm-related chronic lung colonization contributes to cystic fibrosis (CF) disease progression. Colistin is often a last-resort antibiotic for the treatment of such P. aeruginosa infections, and it has been increasingly used in CF, especially by nebulization. <i>N</i>-acetylcysteine (NAC) is a mucolytic agent with antioxidant activity, commonly administered with antibiotics for the treatment of lower respiratory tract infections. Here, we show that NAC potentiated colistin activity against <i>in vitro</i> biofilms models of P. aeruginosa strains, with both drugs tested at the high concentrations achievable after nebulization. In addition, we report the first transcriptomic data on the P. aeruginosa response to NAC exposure.
Sound Zones As An Optimal Filtering Problem (2018)

The design of so-called sound zones is a fairly old idea which has recently gained some research attention. The idea is to control a loudspeaker array to reproduce a desired sound field in certain regions. In this paper, we show how the sound zone control problem can be solved using techniques from speech enhancement. Specifically, we first describe in detail the recently introduced variable span linear filtering (VSLF) framework which unifies the popular optimal filtering and subspace-based approaches to speech enhancement. We then show how the sound zone control problem can be solved using the VSLF framework and how a number of well-known sound zone control methods can be viewed as special cases of this solution. We also discuss in detail the differences between the speech enhancement problem and the sound zone control problem and argue that the VSLF framework is actually even better suited for controlling sound zones than for enhancing speech.
Neutron imaging detector based on multiple layers of boron-coated straws (2016)

In previous projects funded by the DOE, Proportional Technologies, Inc. developed the basic design of a neutron imaging detector, based on the boron-coated straw technology, aimed to replace <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sup> He tubes in large-scale neutron science instruments. Recent efforts have focused on automated production methods, including a critical <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">10</sup> B <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sub> C high volume sputter coating system, and automated in-line straw tube production system, in order to dramatically increase production capacity and reduce cost. A limited-scale prototype developed during Phase I of the project was operated successfully in the Cold Neutron Chopper Spectrometer (CNCS) at the SNS (ORNL) over a period of 6 months, for more than 2500 hours logging more than 200 million events. The prototype demonstrated longitudinal spatial resolution of 5.5 mm (FWHM), and good image uniformity (2%). A 5-layer deep, fully operational, imaging panel has been completed recently. The panel was installed in the CNCS instrument, and tested in real neutron scattering experiments. Results of detection efficiency over a range of neutron wavelengths, image uniformity, and time-of-flight distribution are reported.
A hot-pressed PLZT under DC bias for field-stabilized pyroelectric detector applications (1997)

The temperature dependence of the pyroelectric response of a hot-pressed PLZT (lead lanthanide zirconate titanate) (9.5/65/35) under a modest dc electric bias field has been investigated in an assessment of the performance of this material for applications in small-area pyroelectric devices. A strong pyroelectric response has been induced in the material at and above its transition temperature by the application of an electric field. The electrical resistivity, relative dielectic constant, loss tangent, ferroelectic hysteresis, and pyroelectric coefficients are reported. The material shows a very high figure of merit for a dielectric bolometer application that is competitive with existing relaxor ferroelectric materials such as Pb(Mg1/3Nb2/3)O3 (PMN) and Pb(Sc1/2Ta1/3)O3 (PST).
Ultrafast, sensitive, and inexpensive 3 dimensional MMW/THz imaging system using Glow Discharge Detector Array and CCD camera based on upconversion to visual band (2018)

A 3 dimensional MMW/THz imaging system using the upconversion mechanism of glow discharge detectors is demonstrated. The MMW/THz radiation is converted to the visual band using an inexpensive glow discharge detector array and basic optical CCD camera to yield the MMW/THz image.
15.5: <i>Invited Paper</i> : High Performance Autostereoscopic 2D/3D Switchable Display Using Liquid Crystal Lens (2013)

Abstract We investigated an autostereoscopic 3D display using a Liquid Crystal Gradient Refractive Index (LC GRIN) lens, called LCL (Liquid Crystal Lens) 3D display. The characteristics of the LCL 3D display are high luminance and switchable 2D and 3D images by switching between the states of lens and non‐lens. The LCL 3D display does not influence the 2D image quality. However, the crosstalk of the LCL 3D display is relatively high compared with other methods used in autostereoscopic 3D displays, such as barrier type, lenticular type, and so on. Therefore, we have investigated the reduction of crosstalk for the LCL 3D display.
Peripheral modifications of [Ψ[CH <sub>2</sub> NH]Tpg <sup>4</sup> ]vancomycin with added synergistic mechanisms of action provide durable and potent antibiotics (2017)

Subsequent to binding pocket modifications designed to provide dual d-Ala-d-Ala/d-Ala-d-Lac binding that directly overcome the molecular basis of vancomycin resistance, peripheral structural changes have been explored to improve antimicrobial potency and provide additional synergistic mechanisms of action. A C-terminal peripheral modification, introducing a quaternary ammonium salt, is reported and was found to provide a binding pocket-modified vancomycin analog with a second mechanism of action that is independent of d-Ala-d-Ala/d-Ala-d-Lac binding. This modification, which induces cell wall permeability and is complementary to the glycopeptide inhibition of cell wall synthesis, was found to provide improvements in antimicrobial potency (200-fold) against vancomycin-resistant Enterococci (VRE). Furthermore, it is shown that this type of C-terminal modification may be combined with a second peripheral (4-chlorobiphenyl)methyl (CBP) addition to the vancomycin disaccharide to provide even more potent antimicrobial agents [VRE minimum inhibitory concentration (MIC) = 0.01-0.005 μg/mL] with activity that can be attributed to three independent and synergistic mechanisms of action, only one of which requires d-Ala-d-Ala/d-Ala-d-Lac binding. Finally, it is shown that such peripherally and binding pocket-modified vancomycin analogs display little propensity for acquired resistance by VRE and that their durability against such challenges as well as their antimicrobial potency follow now predictable trends (three > two > one mechanisms of action). Such antibiotics are expected to display durable antimicrobial activity not prone to rapidly acquired clinical resistance.
Monoclonal Antibodies to Meningococcal Factor H Binding Protein with Overlapping Epitopes and Discordant Functional Activity (2012)

The lack of human complement-mediated bactericidal activity by anti-fHbp mAb502 appeared to result from an inability to inhibit binding of fH. These results underscore the importance of inhibition of fH binding for anti-fHbp mAb bactericidal activity.