gebhart/patrepeval huggingface dataset:
Managing the supercell approximation for charged defects in semiconductors: Finite-size scaling, charge correction factors, the band-gap problem, and the<i>ab initio</i>dielectric constant (2006)

The errors arising in ab initio density functional theory studies of semiconductor point defects using the supercell approximation are analyzed. It is demonstrated that (a) the leading finite size errors are inverse linear and inverse cubic in the supercell size and (b) finite size scaling over a series of supercells gives reliable isolated charged defect formation energies to around $\ifmmode\pm\else\textpm\fi{}0.05\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$. The scaled results are used to test three correction methods. The Makov-Payne method is insufficient, but combined with the scaling parameters yields an ab initio dielectric constant of $11.6\ifmmode\pm\else\textpm\fi{}4.1$ for InP. $\ensuremath{\Gamma}$ point corrections for defect level dispersion are completely incorrect, even for shallow levels, but realigning the total potential in real-space between defect and bulk cells actually corrects the electrostatic defect-defect interaction errors as well. Isolated defect energies to $\ifmmode\pm\else\textpm\fi{}0.1\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ are then obtained using a 64 atom supercell, though this does not improve for larger cells. Finally, finite size scaling of known dopant levels shows how to treat the band gap problem: in $\ensuremath{\leqslant}200$ atom supercells with no corrections, continuing to consider levels into the theoretical conduction band (extended gap) comes closest to experiment. However, for larger cells or when supercell approximation errors are removed, a scissors scheme stretching the theoretical band gap onto the experimental one is in fact correct.
FLC Mixtures Containing Laterally Fluorinated Compounds with an Acetylene Linkage for the <i>τ</i>–<i>V</i>min Mode (1994)

Abstract Achiral liquid crystal mixtures for the τ–Vmin mode of ferroelectric liquid crystals (FLC) were developed by using laterally fluorinated achiral compounds with an acetylene linkage. The achiral mixtures showed large negative dielectric anisotropy (Δε), low viscosity and an INAC phase sequence. FLC mixtures were prepared by doping chiral compounds into the developed achiral mixtures. The developed FLC mixtures showed low Vmin and fast τmin, giving a low driving voltage and fast line address time.
9-Borabicyclo[3.3.1]nonane as a highly selective reducing agent for the facile conversion of .alpha.,.beta.-unsaturated aldehydes and ketones to the corresponding allylic alcohols in the presence of other functional groups (1975)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXT9-Borabicyclo[3.3.1]nonane as a highly selective reducing agent for the facile conversion of .alpha.,.beta.-unsaturated aldehydes and ketones to the corresponding allylic alcohols in the presence of other functional groupsS. Krishnamurthy and Herbert C. BrownCite this: J. Org. Chem. 1975, 40, 12, 1864–1865Publication Date (Print):June 1, 1975Publication History Published online1 May 2002Published inissue 1 June 1975https://pubs.acs.org/doi/10.1021/jo00900a051https://doi.org/10.1021/jo00900a051research-articleACS PublicationsRequest reuse permissionsArticle Views495Altmetric-Citations56LEARN 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
Modern electrochemistry : an introduction to an interdisciplinary area (1973)

This book had its nucleus in some lectures given by one ofus (J. O'M. B. ) in a course on electrochemistry to students of energy conversion at the Vniversity of Pennsylvania. It was there that he met a number of people trained in chemistry, physics, biology, metallurgy, and materials science, all ofwhom wanted to know something about electrochemistry. The concept of writing a book about electrochemistry wh ich could be understood by people with very varied backgrounds was thereby engendered. The lectures were recorded and written up by Dr. Klaus Muller as a 293-page manuscript. At a later stage, A. K. N. R. joined the effort; it was decided to make a fresh start and to write a much more comprehensive text. Of methods for direct energy conversion, the electrochemical one is the most advanced and seems the most likely to become of considerable practical importanee. Thus, conversion to electrochemically powered trans portation systems appears to be an important step by means of which the difficulties of air pollution and the effeets of an increasing concentration in the atmosphere of carbon dioxide may be met. Corrosion is recognized as having an electroehemical basis. The synthesis of nylon now contains an important electroehemical stage. Some central biological mechanisms have been shown to take place by means of electrochemical reactions. A number of Ameriean organizations have recently recommended greatly increased activity in training and research in electrochemistry at universities in the Vnited States.
Semantic-Chunks a middleware for ubiquitous cooperative work (2005)

To be productive, cooperative work has to be supported efficiently so that users do achieve their goals. This requires solving the well known fundamental problem of replicas consistency.Update-based solutions are easy to use transparently with commercial applications, but consider every modification in a document as a new document update, thus fostering conflicts and hindering concurrency. Operational-based solutions promise increased concurrency, by interleaving compatible modifications from different users. They require central reconciliation algorithms, and cannot be applied to commercial applications without further instrumentation.We propose the notion of a semantic chunk, i.e., a semantically annotated document region with application relevance, that is promoted to a full-right entity w.r.t. consistency information and enforcement. This unit, being smaller than a file and semantically richer, allows greater concurrency and better update merging with less aborts than current solutions.
Narrowband direction-of-arrival estimation for binaural hearing aids using relative transfer functions (2015)

State-of-the-art hearing aids feature multiple microphones per hearing aid and employ spatial filtering algorithms that are in general superior to single-channel algorithms. Spatial filtering algorithms require usually the direction-of-arrival (DOA) of the desired sound source. Recently developed informed spatial filters are based on a parametric signal model, and require an estimate of the DOA per time and frequency. In this paper, we develop a novel DOA estimation algorithm for hearing aids that estimates the narrowband DOA by comparing estimated relative transfer functions (RTFs) with anechoic RTFs per direction from a database. Furthermore, we propose a weighting based on the coherent-to-diffuse ratio to increase the robustness against estimation errors. The algorithm is compared to two existing narrowband DOA estimation techniques. One of the existing techniques is extended to use an arbitrary number of microphones to be able to detect DOAs in the full plane around the listener. Simulations show that the accuracy of the proposed DOA estimator is higher than the existing estimators in diffuse noise fields. Finally, we demonstrate that the proposed DOA estimator makes it possible to apply an informed spatial filtering technique to binaural hearing aids.
Disruptive insights in psychiatry: transforming a clinical discipline (2009)

Mental disorders such as schizophrenia, bipolar illness, and depression have become the predominant chronic diseases of young people, accounting for approximately 40% of the medical burden for people aged 15-44 in the United States and Canada. Research is transforming our understanding of these disorders, as exemplified in the articles in this Review Series. Important, "disruptive" insights into pathophysiology are emerging from studies addressing these illnesses as brain disorders, developmental disorders, and complex genetic disorders--rather than only as psychological conflicts or chemical imbalances, as they were considered in the past. Current medications are not sufficient for most patients. A new and deep understanding of the pathophysiology of these disabling disorders is our best hope for a new generation of treatments that will help patients to recover.
APOE polymorphism is associated with risk of severe sepsis in surgical patients* (2005)

In an elective surgical cohort, presence of the APOepsilon3 allele is associated with decreased incidence of severe sepsis and a shorter ICU length of stay.
ChemInform Abstract: HOMOGENEOUS OLEFIN HYDROGENATION CATALYZED BY DICHLORODICARBONYLBIS(TRIPHENYLPHOSPHINE)RUTHENIUM (1973)

Abstract Die Hydrierung verschiedener Mono‐ und Polyolefine wird in Gegenwart des Ruthenium‐Katalysators (I) und unter Zusatz von Triphenylphosphin untersucht.′ Zwischen konjugierten Dienen, isolierten Dienen, endständigen Alkenen und mittelständigen Dienen bestehen in der Reaktivität starke Differenzen, so dass eine selektive Hydrierung von Polyolefinen zu Monolefinen möglich ist.
Human cathepsin B1. Inhibition by α2-macroglobulin and other serum proteins (1973)

1. Normal human serum was found to inhibit human cathepsin B1. 2. The major inhibitor present in serum was purified and identified as alpha(2)-macroglobulin. 3. alpha(2)-Macroglobulin was found to bind cathepsin B1 in an approximately 1:1 molar ratio. When bound, the enzyme retained about 50% of its proteolytic activity, and up to 80% of its activity against alpha-N-benzoyl-dl-arginine 2-naphthylamide. 4. Pretreatment of alpha(2)-macroglobulin with cathepsin B1 inactivated by exposure to pH8.5 or iodoacetic acid, in large molar excess, did not prevent the subsequent binding of active enzyme. Active enzyme, once bound, was not protected from inhibition by 1-chloro-4-phenyl-3-tosylamido-l-butan-2-one. 5. Cathepsin B1 was also inhibited by human immunoglobulin G, at high concentration. 6. Because it had been suggested that haptoglobin is responsible for the inhibition of ;cathepsin B' by serum, a method was devised for the selective removal of haptoglobin from mixtures of serum proteins by adsorption on haemoglobin covalently linked to Sepharose. No evidence was obtained that haptoglobin has any inhibitory activity against the enzyme.
Shared governance-nurses making a difference (2000)

The national nursing strategy puts nurses in a position to positively influence health care for the advantage of patients, however, for nurses to grasp this opportunity cultural change is required. This practical example of shared governance demonstrates how it can be used to create a proactive culture, focused on improving patient care. The nurturing and developing of clinically-based nurses provides them with the knowledge and skills to challenge the status quo and lead change. Thus, shared governance is an excellent foundation from which to develop the nursing strategy.
Purification and analysis of a factor which suppresses nick-induced transcription by RNA polymerase II and its identity with poly(ADP-ribose) polymerase. (1983)

TFIIC is a factor found earlier in our laboratory to be required for eliminating random transcription by RNA polymerase I1 and thereby for facilitating the detection of specific transcription initiation on promoter-containing DNA templates in the presence of other essential (class 11) transcription factors (Matsui,
Role of E-cadherin and other cell adhesion molecules in survival and differentiation of human pluripotent stem cells (2012)

The survival, proliferation, self-renewal and differentiation of human pluripotent stem cells (hPSCs, including human embryonic stem cells and human induced pluripotent stem cells) involve a number of processes that require cell-cell and cell-matrix interactions. The cell adhesion molecules (CAMs), a group of cell surface proteins play a pivotal role in mediating such interactions. Recent studies have provided insights into the essential roles and mechanisms of CAMs in the regulation of hPSC fate decisions. Here, we review the latest research progress in this field and focus on how E-cadherin and several other important CAMs including classic cadherins, Ig-superfamily CAMs, integrins and heparin sulfate proteoglycans control survival and differentiation of hPSCs.
Long-wavelength optical transmission of extremely narrow slits via hybrid surface-plasmon and Fabry–Pérot modes (2010)

We have verified that extraordinary transmission of long-wavelength light through extremely narrow slits in a thick metal film can be achieved by hybrid surface-plasmon and Fabry–Pérot modes. Transmittance of these ultranarrow slits, which have width and thickness of 0.56 μm and 100 μm, respectively, for a terahertz light with wavelength of 225 μm can be 2.1×108 times higher than that predicted by using classic theory. Furthermore, the corresponding ratio between transmission wavelength and slit width can be up to 400, which is over 60 times larger than that the conventional grating-based surface-plasmon modes can provide.
ATM and cell relay service for corporate environments (1994)

Cell relay service and ATM platform aspects ATM adaption layer signalling, cell relay service defined traffic and performance support of other fastpacket services ATM interworking local ATM management and operation typical user equipment and public carrier service availability how to migrate a pre-ATM network to a CRS.
Peachtree X For Dummies (2000)

From the Publisher:
The bottom line on creating reports, handling your payroll, and more! 
Find how to keep track of checks and receivables 
Make sense of all your dollars and cents with this fun and easy guide And you thought business accounting couldn't be fun and easy. These pages are packed with tips to help you tackle the sometimes daunting chore of keeping track of all those debits and credits. You'll find this friendly guide to Peachtree 8 invaluable for simplifying your accounting tasks  so you can get down to business! 
Discover how to: Set up easy invoicing Tackle general ledger tasks Create budgets and balance sheets Generate quarterly reports and W-2s Use powerful import/export features 
The Dummies Way Explanations in plain English in, get out information Icons and other navigational aids Tear-out cheat sheet Top ten lists A dash of humor and fun 
Get smart! Register to win cool prizes Browse exclusive articles and excerpts Get a free Dummies Daily e-mail newsletter Chat with authors and preview other books Talk to us, ask questions, get answers
Magnetic field assisted self-assembly of ferrite-ferroelectric core-shell nanofibers and studies on magneto-electric interactions (2014)

Core-shell nanofibers of nickel ferrite and lead zirconate titanate have been synthesized by electrospinning, assembled into superstructure in uniform or non-uniform magnetic fields, and have been characterized in terms of ferroic order parameters and strain mediated magneto-electric (ME) coupling. The core-shell structure was confirmed by electron microscopy and scanning probe microscopy. Studies on magnetic field induced polarization P in assembled samples showed a decrease or increase in P, depending on the nature of fibers and strengthening of ME coupling with change in remnant-P as high as 32%. Strong ME interactions were evident from H-induced variation in permittivity at 20–22 GHz.
Theoretical noise performance of coherence-multiplexed interferometric sensors (1989)

If a number of fiber-optic interferometric sensors are arranged so that their outputs are returned to the user via a common optical bus, then some method of distinguishing the returns from different sensors must be used to recover individual signals. One such method involves using light with a short coherence length, so that returns from different sensors will be mutually incoherent. The interferometric signal associated with each sensor can then be recovered via appropriate optical processing. The author considers sensors multiplexed using this technique and calculates their noise performance. It is found that for systems with only a few sensors, the minimum detectable phase is limited by the noise associated with incoherent interference; this can be minimized by using light with as short a coherence length as is practical. The maximum number of sensors that can be multiplexed is limited by optical power loss. A ladder topology is tentatively found to give the best performance.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
Notch signaling components are upregulated during both endochondral and intramembranous bone regeneration (2011)

Previous studies have demonstrated that Notch signaling regulates endochondral and intramembranous bone formation by controlling cell proliferation and differentiation. Notch signaling has also been shown to regulate healing in a variety of tissues. The objective of this study was to characterize and compare activation of the Notch signaling pathway during endochondral and intramembranous bone healing using tibial fracture and calvarial defect injury models, respectively. Bilateral tibial fractures or bilateral 1.5 mm diameter calvarial defects were created in mice, and tissues were harvested at 0, 5, 10, and 20 days post-fracture. Gene expression of Notch signaling components was upregulated during both tibial fracture and calvarial defect healing, with expression generally higher during tibial fracture healing. The most highly expressed ligand and receptor during healing, Jag1 and Notch2 (specifically the activated receptor, known as NICD2), were similarly localized in mesenchymal cells during both modes of healing, with expression decreasing during chondrogenesis, but remaining present in osteoblasts at all stages of maturity. Results suggest that in addition to embryological bone development, Notch signaling regulates both endochondral and intramembranous bone healing.
Iterative feature weighting for identification of relevant features with radial basis function networks (2006)

This paper reports on advances in identification of relevant features through iterative feature weighting with radial basis function networks. It proceeds with a set of feature weights to scale the data which are used to train a radial basis function network model. Then from the learned model, the feature weights are updated via one-step gradient descent. The updated feature weights are then fed back to build a new model. The procedure continues until we find a satisfactory model and the feature weights converge. Experimental results for some benchmark datasets show that the approach is efficient and effective for selecting relevant features for data modeling and classification tasks.
Impact of Optical and Electrical Narrowband Spectral Shaping in Faster Than Nyquist Tb Superchannel (2013)

The impact over system performances of narrowband spectral shaping for time-frequency packed faster than Nyquist Tb/s superchannels is evaluated. Comparison between optical and electrical filtering under the presence of partially overlapping neighbor channels is presented and optimal values for filter bandwidth are determined for different filter profiles.
MINOR GROOVE-BINDING ARCHITECTURAL PROTEINS: Structure, Function, and DNA Recognition (1998)

To date, high-resolution structures have been solved for five different architectural proteins complexed to their DNA target sites. These include TATA-box-binding protein, integration host factor (IHF), high mobility group I(Y)[HMG I(Y)], and the HMG-box-containing proteins SRY and LEF-1. Each of these proteins interacts with DNA exclusively through minor groove contacts and alters DNA conformation. This paper reviews the structural features of these complexes and the roles they play in facilitating assembly of higher-order protein-DNA complexes and discusses elements that contribute to sequence-specific recognition and conformational changes.
Development of Megasonic cleaning for silicon wafers. Quarterly report No. 4 (1980)

The Megasonic system consisting of the cleaning and rinse tank, the air dryer with the belt drive, and the laser defect scanner, has now been completely assembled, debugged, and tested in the laboratory at various power levels and belt speeds. The results indicate that wafer-throughput design targets have been met and exceeded. At the recommended power input of 160 W per transducer about 4500 wafers per hour can be cleaned and at least 2600 wafer per hour can be dried in 3/32-in.-spaced quartz carriers. As experience accumulated, several sources of contamination were identified. These included turbulence in the laminar-flow air stream, causing unfiltered room air to be inducted into the working area; the temporary aluminum supports for the quartz carriers; wash water contaminated with colloid, leading to slow and inadequate rinse rate; and leaks in the seal between the laminar-flow station and the belt drive. The laser scanner was found to be an excellent diagnostic tool: the pattern of scattering centers displayed on the storage 'scope is almost always indicative of the cause of the problem, be it dust, poor water, or surface defects on the wafer. The solar-cell evaluation test carried out with 22 Megasonically cleaned and 18 system-Z-cleaned solar cells has been completed. It confirms that the Megasonically cleaned cells have higher average efficiency. However, about 17% of the Z-cleaned cells are considerably poorer than the rest; if these are not included, the distribution of the remaining 83% is statistically indistinguishable from that of the Megasonically cleaned ones. It is tentatively concluded that Megasonic cleaning produces a more uniform product with fewer really poor cells, but not cells with an efficiency greater than the maximum attained by Z-cleaned cells.
Temporal cues for vowels and universals of vowel inventories (2002)

Stevens (1980) suggested that certain features of consonants are auditorily robust. Such features are abrupt; manifest in 10-30 msec, e.g., voice, nasal, continuant. Other features such as palatalized, pharyngealized are less robust and are carried on top of (and presumably require more time to be manifested than) the robust features. Robust features are used first-and sometimes exclusively-by languages in constructing a consonant inventory. The less robust features may not be used at all but if they are, the language has already used features from the robust set. We sought to test a similar hypothesis regarding vowels: within the first few tens of msec. Only as many vowel contrasts can be differentiated as are attested most commonly in languages of the world-something like (IPA)/i e a o u/. Analysis of the confusion matrices made by listeners identifying end-gated versions of 11 N. Am. English vowels lends support to the hypothesis.