gebhart/patrepeval huggingface dataset:
Blue Light Emitting Ir(III) Compounds for OLEDs - New Insights into Ancillary Ligand Effects on the Emitting Triplet State (2009)

The sky-blue emitting phosphorescent compound Ir(4,6-dFppy)(2)(acac) (FIracac) doped into different matrices is studied under ambient conditions and at cryogenic temperatures on the basis of broadband and high-resolution emission spectra. The emitting triplet state is found to be largely of metal-to-ligand charge transfer (MLCT) character. It is observed that different polycrystalline and amorphous hosts distinctly affect the properties of the triplet. Moreover, a comparison of FIracac with the related Ir(4,6-dFppy)(2)(pic) (FIrpic), differing only by the ancillary ligand, reveals obvious changes of properties of the emitting state. These observations are explained by different effects of acac and pic on the Ir(III) d-orbitals. In particular, the occupied frontier orbitals, strongly involving the t(2g)-manifold, and their splitting patterns are modified differently. This influences spin-orbit coupling (SOC) of the emitting triplet state to higher-lying (1,3)MLCT states. As a consequence, zero-field splittings, radiative decay rates, and phosphorescence quantum yields are changed. The important effects of SOC are discussed qualitatively and are related to the emission properties of the individual triplet substates, as determined from highly resolved spectra. The results allow us to gain a better understanding of the impact of SOC on the emission properties with the aim to develop more efficient triplet emitters for OLEDs.
Catalytic, Asymmetric Mannich-type Reactions of <i>N</i>-Acylimino Esters:  Reactivity, Diastereo- and Enantioselectivity, and Application to Synthesis of N-Acylated Amino Acid Derivatives (2003)

In the presence of a catalytic amount of Cu(OTf)(2)-chiral diamine 3e complex, N-acylimino esters reacted with silyl enol ethers to afford the corresponding Mannich-type adducts in high yields with high enantioselectivities. A wide variety of silyl enol ethers derived from ketones, as well as esters and thioesters, reacted smoothly. In the reactions of alpha-substituted silyl enol ethers (alpha-methyl or benzyloxy), the desired syn-adducts were obtained in high yields with high diastereo- and enantioselectivities. Several intermediates for the synthesis of biologically important compounds were prepared using this novel catalytic asymmetric Mannich-type reaction, and at the same time, absolute and relative stereochemical assignments were made. In addition, it has been revealed that alkyl vinyl ethers reacted with N-acylimino esters in the presence of a catalytic amount of the Cu(II) catalyst to give the corresponding Mannich-type adducts in high yields with high enantioselectivities. This is the first example of catalytic asymmetric Mannich-type reactions with alkyl vinyl ethers. The reaction mechanism, structure of chiral catalyst-electrophile complexes, and transition states of these catalytic asymmetric reactions were assumed based on X-ray crystallographic analysis of the Cu(II)-chiral amine complex, PM3 calculations, and FT-IR analyses, etc. Finally, (1R,3R)-N-(3-hydroxy-1-hydroxymethyl-3-phenylpropyl)dodecanamide (HPA-12, 1), a new inhibitor of ceramide trafficking from endoplasmic reticulum to the site of sphingomyerin (SM) synthesis, has been synthesized efficiently using the present Mannich-type reaction as a key step. The synthesis involved three steps (two-pot), and total yield was 82.9%.
UAV-based urban structural damage assessment using object-based image analysis and semantic reasoning (2015)

Abstract. Structural damage assessment is critical after disasters but remains a challenge. Many studies have explored the potential of remote sensing data, but limitations of vertical data persist. Oblique imagery has been identified as more useful, though the multi-angle imagery also adds a new dimension of complexity. This paper addresses damage assessment based on multi-perspective, overlapping, very high resolution oblique images obtained with unmanned aerial vehicles (UAVs). 3-D point-cloud assessment for the entire building is combined with detailed object-based image analysis (OBIA) of façades and roofs. This research focuses not on automatic damage assessment, but on creating a methodology that supports the often ambiguous classification of intermediate damage levels, aiming at producing comprehensive per-building damage scores. We identify completely damaged structures in the 3-D point cloud, and for all other cases provide the OBIA-based damage indicators to be used as auxiliary information by damage analysts. The results demonstrate the usability of the 3-D point-cloud data to identify major damage features. Also the UAV-derived and OBIA-processed oblique images are shown to be a suitable basis for the identification of detailed damage features on façades and roofs. Finally, we also demonstrate the possibility of aggregating the multi-perspective damage information at building level.
A cell nanoinjector based on carbon nanotubes - eScholarship (2008)

Classification: Physical Sciences (Chemistry) and Biological Sciences (Cell Biology) A cell nanoinjector based on carbon nanotubes Xing Chen *|| , Andras Kis †|| , A. Zettl †||** , and Carolyn R. Bertozzi *‡§¶||** Departments of * Chemistry, † Physics and ‡ Molecular and Cell Biology, and § Howard Hughes Medical Institute, University of California, Berkeley and ¶ Molecular Foundry and || Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 To whom correspondence should be addressed: Carolyn Bertozzi: crb@berkeley.edu or A. Zettl, e-mail: azettl@berkeley.edu Abbreviations: CNT, carbon nanotube; MWNT, multi-walled carbon nanotube; AFM, atomic force microscope; SEM, scanning electron microscope; TEM, transmission electron microscope;
Multidimensional cyclic convolution algorithms with minimal multiplicative complexity (1987)

This paper presents novel multidimensional cyclic convolution algorithms which achieve the theoretically minimum number of multiplications. The proposed algorithms are compared to the well-known and used polynomial transform and split nesting convolution algorithms.
Molecular cloning and identification of a rat serum carboxylesterase expressed in the liver. (1994)

We have cloned and sequenced a carboxylesterase from rat liver and purified the corresponding protein from rat blood. The cDNA encodes the entire mature serum esterase protein. It is apparently identical to cDNAs cloned from rat liver by several groups (Long, R. M., Satoh, H., Martin, B. M., Kimura, S., Gonzales, F. J., and Pohl, L. R. (1988) Biochem. Biophys. Res. Commun. 156, 866-873; Takagi, Y., Morohashi, K.-i., Kawabata, S.-i., Go, M., and Omura, T. (1988) J. Biochem. (Tokyo) 104, 801-806; and Robbi, M., and Beaufay, H. (1992) Biochem. Biophys. Res. Commun. 183, 836-841). However, the identification of the protein encoded by this cDNA has not been previously reported. The COOH-terminal -TEHT sequence found in the rat serum carboxylesterase does not possess retention properties and is therefore responsible for its secretion and presence in the circulation. The rat serum carboxylesterase was purified to apparent homogeneity by affinity chromatography on immobilized antibody to rat liver microsomal acyl-CoA thioesterase followed by ion exchange chromatography. The purified protein, with a M(r) of approximately 70,000, was cleaved in situ in a polyacrylamide gel with trypsin, and two peptides were isolated and sequenced. Sequence analysis showed that both peptides were identical only to the corresponding deduced amino acid sequence of the cloned cDNA. Antibodies raised to the COOH-terminal amino acid sequence deduced from the cDNA cross-reacted with the purified rat serum carboxylesterase. Changes in serum esterase activity levels followed changes in protein mass in rat serum and changes in liver mRNA levels in response to various nutritional conditions while total liver esterase activity was essentially unchanged. The above experiments confirm the identity of the protein isolated from rat sera with the cDNA cloned from rat liver and suggest a function for the serum esterase in lipid metabolism.
Five PSA methods compared by assaying samples with defined PSA ratios. (1997)

Prostate-specific antigen (PSA) has been established as a marker to aid in detection and monitoring of prostate cancer (1)(2). PSA in serum exists predominantly in three forms: free, uncomplexed PSA; PSA covalently complexed to α1-antichymotrypsin (PSA-ACT); and PSA covalently complexed to α2-macroglobulin (PSA-MG) (3). Immunoassays available today recognize free PSA and PSA-ACT but not PSA-MG, and their result for “total PSA” refers to the sum of the free and ACT-bound forms of PSA as measured by the immunoassay.

In general, the proportion of free PSA relative to PSA-ACT is lower in prostate cancer patients than in normal subjects or in patients with noncancerous prostatic disease (4). The percentage of free PSA ranges from 5% to 50% when total serum PSA is 4–10 μg/L (5)(6). However, increased serum concentrations of PSA do not necessarily indicate prostate cancer because such values can also occur in cases of benign prostate hyperplasia or prostatitis (7)(8)(9).

Assays of total serum PSA differ from one another in an important respect: They do not recognize the free and ACT-bound species of PSA equivalently (10)(11). “Equimolar-response assays” measure equal molar concentrations of free PSA and PSA-ACT equivalently; “skewed-response assays” measure these PSA forms differently (12)(13)(14).

The total PSA concentration measured by an equimolar assay depends on only the total concentration of free PSA plus PSA-ACT and is independent of their relative proportions. The interpretation of results reported by skewed-response assays, however, may be misleading because (a) the proportion of free PSA is generally higher in noncancer patients, and (b) the molar response of skewed-response assays …
Clinical Utility of Contrast-Enhanced Ultrasound in Neurosonology (2008)

Extracranial and transcranial colour-coded duplex sonography (TCCD) are used routinely in clinical practice to assess physiologic and pathologic arterial blood flow to the brain. Such investigations are straightforward, safe, and cost effective, and can be repeated frequently for patient follow-up. In addition, the portability of extracranial colour-coded duplex sonography and TCCD provides the option of bedside investigations, particularly useful for evaluation of the critically ill patient. However, duplex ultrasound can be hampered by insufficient acoustic penetration, an unfavourable insonation angle, or by conditions of low or no flow. Echocontrast agents capable of surviving pulmonary and capillary transit have been developed, and such agents increase the Doppler signal and, therefore, the success rate of neurosonographic investigations. Approximately 20% of TCCD studies involve poor insonation conditions and, therefore, the use of echocontrast agents is of particular interest for this application. Levovist and SonoVue are the two agents currently approved for use in neurosonography. Such agents have a relatively long-lasting effect (up to 7 min), and can be administered as a single injection or, alternatively, a fractionated injection protocol can be used, depending on the quality of the window.
Electrical Control of the Direction of Spin Accumulation (2007)

We are able to continuously change the direction of polarization of spin accumulation in a nonmagnetic metal by varying the currents injected by two ferromagnetic spin injectors. From measurements made at a distance from the injection area, we find a cosvarphi variation of the spin signal. This confirms that the angle of polarization of the nonlocal spin polarization with respect to the magnetization of the fixed spin detector is continuously varied as we change the injection currents. We give an explanation for the origin of this simple cosvarphi variation of the spin signal.
Aromatization of hydrocarbons by oxidative dehydrogenation catalyzed by the mixed addenda heteropoly acid H5PMo10V2O40 (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAromatization of hydrocarbons by oxidative dehydrogenation catalyzed by the mixed addenda heteropoly acid H5PMo10V2O40Ronny Neumann and Manfred LisselCite this: J. Org. Chem. 1989, 54, 19, 4607–4610Publication Date (Print):September 1, 1989Publication History Published online1 May 2002Published inissue 1 September 1989https://pubs.acs.org/doi/10.1021/jo00280a029https://doi.org/10.1021/jo00280a029research-articleACS PublicationsRequest reuse permissionsArticle Views1067Altmetric-Citations97LEARN 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
Conjugated polyelectrolyte hole transport layer for inverted-type perovskite solar cells (2015)

PSS, this work is the first report on the use of an organic hole transport material that enables the formation of uniform perovskite films with complete surface coverage and the demonstration of efficient, stable perovskite/fullerene planar heterojunction solar cells.
Peptide secondary structure modulates single-walled carbon nanotube fluorescence as a chaperone sensor for nitroaromatics (2011)

A class of peptides from the bombolitin family, not previously identified for nitroaromatic recognition, allows near-infrared fluorescent single-walled carbon nanotubes to transduce specific changes in their conformation. In response to the binding of specific nitroaromatic species, such peptide-nanotube complexes form a virtual "chaperone sensor," which reports modulation of the peptide secondary structure via changes in single-walled carbon nanotubes, near-infrared photoluminescence. A split-channel microscope constructed to image quantized spectral wavelength shifts in real time, in response to nitroaromatic adsorption, results in the first single-nanotube imaging of solvatochromic events. The described indirect detection mechanism, as well as an additional exciton quenching-based optical nitroaromatic detection method, illustrate that functionalization of the carbon nanotube surface can result in completely unique sites for recognition, resolvable at the single-molecule level.
&lt;title&gt;Linear programming approach to unmixing hyperspectral image pixels&lt;/title&gt; (1998)

Hyperspectral imagery, i.e., imagery with more than a hundred spectral bands, is particularly useful for material identification. Since each pixel is a spectral signature, comparing that signature with a library of signatures for known materials allows each pixel's material to be identified as the one with the closest match. The word 'match', of course, must be defined since many measures of matching are used. This material identification process becomes considerably less straightforward, however, when the pixel on the ground includes multiple materials; then the pixel is 'mixed' and no one library signature will match. Rather, a sum of library signatures, with appropriate coefficients of proportionality, that matches the pixel's signature must be determined. The determination of these coefficients of proportionality is termed 'unmixing'. A variety of unmixing methods have been developed and are reported in the literature. This paper addresses a new algorithm based on linear programing (LP), an optimization method borrowed from operations research. Sophisticated LP software is currently available for virtually every computer. The paper is said to be an approach, since the method has not been evaluated to date on real hyperspectral imagery and no claims may yet be made for its performance, although such test and evaluation activities are planned using AVIRIS data from the Jet Propulsion Laboratory.
Evolutionary Dynamics of the wnt Gene Family: A Lophotrochozoan Perspective (2010)

The wnt gene family encodes a set of secreted glycoproteins involved in key developmental processes, including cell fate specification and regulation of posterior growth (Cadigan KM, Nusse R. 1997. Wnt signaling: a common theme in animal development. Genes Dev. 11:3286-3305.; Martin BL, Kimelman D. 2009. Wnt signaling and the evolution of embryonic posterior development. Curr Biol. 19:R215-R219.). As for many other gene families, evidence for expansion and/or contraction of the wnt family is available from deuterostomes (e.g., echinoderms and vertebrates [Nusse R, Varmus HE. 1992. Wnt genes. Cell. 69:1073-1087.; Schubert M, Holland LZ, Holland ND, Jacobs DK. 2000. A phylogenetic tree of the Wnt genes based on all available full-length sequences, including five from the cephalochordate amphioxus. Mol Biol Evol. 17:1896-1903.; Croce JC, Wu SY, Byrum C, Xu R, Duloquin L, Wikramanayake AH, Gache C, McClay DR. 2006. A genome-wide survey of the evolutionarily conserved Wnt pathways in the sea urchin Strongylocentrotus purpuratus. Dev Biol. 300:121-131.]) and ecdysozoans (e.g., arthropods and nematodes [Eisenmann DM. 2005. Wnt signaling. WormBook. 1-17.; Bolognesi R, Farzana L, Fischer TD, Brown SJ. 2008. Multiple Wnt genes are required for segmentation in the short-germ embryo of Tribolium castaneum. Curr Biol. 18:1624-1629.]), but little is known from the third major bilaterian group, the lophotrochozoans (e.g., mollusks and annelids [Prud'homme B, Lartillot N, Balavoine G, Adoutte A, Vervoort M. 2002. Phylogenetic analysis of the Wnt gene family. Insights from lophotrochozoan members. Curr Biol. 12:1395.]). To obtain a more comprehensive scenario of the evolutionary dynamics of this gene family, we exhaustively mined wnt gene sequences from the whole genome assemblies of a mollusk (Lottia gigantea) and two annelids (Capitella teleta and Helobdella robusta) and examined them by phylogenetic, genetic linkage, intron-exon structure, and embryonic expression analyses. The 36 wnt genes obtained represent 11, 12, and 9 distinct wnt subfamilies in Lottia, Capitella, and Helobdella, respectively. Thus, two of the three analyzed lophotrochozoan genomes retained an almost complete ancestral complement of wnt genes emphasizing the importance and complexity of this gene family across metazoans. The genome of the leech Helobdella reflects significantly more dynamism than those of Lottia and Capitella, as judged by gene duplications and losses, branch length, and changes in genetic linkage. Finally, we performed a detailed expression analysis for all the Helobdella wnt genes during embryonic development. We find that, although the patterns show substantial overlap during early cleavage stages, each wnt gene has a unique expression pattern in the germinal plate and during tissue morphogenesis. Comparisons of the embryonic expression patterns of the duplicated wnt genes in Helobdella with their orthologs in Capitella reveal extensive regulatory diversification of the duplicated leech wnt genes.
Role of apoptosis in the pathogenesis of COPD and pulmonary emphysema (2006)

Chronic obstructive pulmonary disease (COPD) is characterised by chronic inflammation of the airways and progressive destruction of lung parenchyma, a process that in most cases is initiated by cigarette smoking. Several mechanisms are involved in the development of the disease: influx of inflammatory cells into the lung (leading to chronic inflammation of the airways), imbalance between proteolytic and anti-proteolytic activity (resulting in the destruction of healthy lung tissue) and oxidative stress. Recently, an increasing number of data suggest a fourth important mechanism involved in the development of COPD: apoptosis of structural cells in the lung might possibly be an important upstream event in the pathogenesis of COPD. There is an increase in apoptotic alveolar epithelial and endothelial cells in the lungs of COPD patients. Since this is not counterbalanced by an increase in proliferation of these structural cells, the net result is destruction of lung tissue and the development of emphysema. Data from animal models suggest a role for Vascular Endothelial Growth Factor (VEGF) in the induction of apoptosis of structural cells in the lung. Other mediators of apoptosis, such as caspase-3 and ceramide, could be interesting targets to prevent apoptosis and the development of emphysema. In this review, recent data on the role of apoptosis in COPD from both animal models as well as from studies on human subjects will be discussed. The aim is to provide an up to date summary on the increasing knowledge on the role of apoptosis in COPD and pulmonary emphysema.