gebhart/patrepeval huggingface dataset:
An ab initio investigation of disiloxane using extended basis sets and electron correlation (1992)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAn ab initio investigation of disiloxane using extended basis sets and electron correlationJohn B. Nicholas, Randall E. Winans, Robert J. Harrison, Lennox E. Iton, Larry A. Curtiss, and Anton J. HopfingerCite this: J. Phys. Chem. 1992, 96, 20, 7958–7965Publication Date (Print):October 1, 1992Publication History Published online1 May 2002Published inissue 1 October 1992https://pubs.acs.org/doi/10.1021/j100199a026https://doi.org/10.1021/j100199a026research-articleACS PublicationsRequest reuse permissionsArticle Views81Altmetric-Citations45LEARN 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 options Get e-Alerts
Remediation for TXRF saturation effects on microdroplet residues from preconcentration methods on semiconductor wafers (2005)

In metallic contamination analysis of semiconductor wafers, preconcentration methods such as vapor phase decomposition–droplet collection (VPD-DC) or droplet sandwich etch (DSE) are combined with sensitive analytical techniques, often total-reflection X-ray fluorescence spectrometry (TXRF). Previously we have reported about the occurrence of TXRF saturation effects in the analysis of microdroplet residues from these methods and identified the origin as a mass-absorption effect of primary X-rays. In this study, different approaches to deal with TXRF saturation effects in semiconductor applications are evaluated. Corrective approaches are tested for the application of VPD-DC-TXRF on Si wafers. The application of correction factors resulted in an overestimation of the effect of 20%. Internal standardization approaches did not perform well because of the separation of the internal standard element apart from the analytes during the drying step. We suggest another internal approach using the intensity of scattered primary X-rays as an indicator for accuracy.The parameters in a Ge matrix removal method have been investigated. The application of the method on samples from the DSE method on spin coated Ge wafers resulted in efficiencies at 100% compared to only 40% without matrix removal. Finally, the use of nanoliter deposition or ink-jet spray methods is proposed to extend the dynamic range of TXRF on microdroplet residues. This suggestion is motivated with calculations based on a mass-absorption model and with experimental results from the study of linearity of TXRF on Ni spin coated Si wafers and the related morphology of the surface species.
Laser anneal of oxycarbosilane low-k film (2016)

Submilisecond laser anneal has been experimentally investigated for porogen removal and its ability to improve the mechanical strength in oxycarbosilane ultra low-k films compromised due to the introduction of porosity. We report the occurrence of extensive bond rearrangements inferred from Fourier-transform infra-red (FTIR) spectroscopy, elastic recoil detection (ERD) and spectroscopic ellipsometry (SE) in the energy range of 1.4-8 eV. The laser anneal affects most notably the organic content of the organosilicate matrix leading to depletion and reorganization. Nevertheless, the tested conditions reveal a processing window which allows for 13% improvement of Young's modulus as compared to the reference film, annealed in a conventional furnace at 400°C for 2 h, while not impacting the relative dielectric constant of 2.25.
Evaluation of electrode materials for ion implanters (2003)

A quantitative evaluation of electrical breakdown properties of seventeen different materials, including metals, composite materials and graphites, is presented. The microscopic field amplification factor, /spl beta/, of clean electrodes is found to vary by an order of magnitude. The breakdown history of samples, subjected to lifetime tests by repetitively causing arcing from the sample surface under controlled conditions, shows that coated graphites exhibit deterioration after few arcing events, while vitreous impregnated graphites (VGI) show stable breakdown voltage characteristics. For ion implantation, electrode material selection demands low /spl beta/ and long electrode lifetime with stable operating characteristics. We find that certain VGI graphites with metallic breakdown properties are well suited for electrode material.
Bone marrow involvement and subclonal diversity impairs detection of mutated CXCR4 by diagnostic next‐generation sequencing in Waldenström macroglobulinaemia (2021)

CXCR4 mutations impact disease presentation and treatment outcomes in Waldenström macroglobulinaemia (WM). Non-uniform testing for CXCR4 mutations may account for discordant findings in WM clinical trials. We compared two approaches used in these trials for detection of the most common CXCR4 (S338X) variant: targeted next-generation sequencing (NGS) using unselected bone marrow (BM) samples, and combined allele-specific polymerase chain reaction (AS-PCR) and Sanger sequencing with unselected and CD19-selected BM samples. Our findings showed that targeted NGS frequently yielded false-negative results. Both CD19 selection and AS-PCR markedly improved detection of CXCR4<sup>S338X</sup> mutations. Sensitivity was adversely impacted by low BM involvement and CXCR4 mutation clonality.
3D-Printed Cross-Flow Mixer Gradient within Minutes for Microfluidic Applications (2018)

This paper reports on a compact new cross-flow 3D mixer that is integrated with a gradient generator into one device for toxicology applications. The device has two parts: the first mixes two solvents while the second generates gradients of the obtained solutions. The outlet of the 3D cross-flow mixer is integrated with a linear channel that aids in achieving this gradient by changing flow rates. The dye-visualization test confirm the functionality of mixer and gradient. The mesh structure of the mixer provided excellent mixing regime and is confirmed by experimental and simulation results. The compact size (25 × 25 × 3 mm) and the reduced cost ($1.5) of the device enable the device to be disposable. We aim to study doxorubicin drug at different concentration generated by the device to culture human embryonic kidney (HEK) from the 293-cell line enabling the devices to be used for cellular studies. The carefully designed geometry of the device finds applications in drug toxicology testing devices, micro-total analysis systems (μ- TAs),and other lab-on-chip devices.
An Automated System for the Analysis of G Protein‐Coupled Receptor Transmembrane Binding Pockets: Alignment, Receptor‐Based Pharmacophores, and Their Application. (2005)

G protein-coupled receptors (GPCRs) share a common architecture consisting of seven transmembrane (TM)\ndomains. Various lines of evidence suggest that this fold provides a generic binding pocket within the TM\nregion for hosting agonists, antagonists, and allosteric modulators. Here, a comprehensive and automated\nmethod allowing fast analysis and comparison of these putative binding pockets across the entire GPCR\nfamily is presented. The method relies on a robust alignment algorithm based on conservation indices,\nfocusing on pharmacophore-like relationships between amino acids. Analysis of conservation patterns across\nthe GPCR family and alignment to the rhodopsin X-ray structure allows the extraction of the amino acids\nlining the TM binding pocket in a so-called ligand binding pocket vector (LPV). In a second step, LPVs are\ntranslated to simple 3D receptor pharmacophore models, where each amino acid is represented by a single\nspherical pharmacophore feature and all atomic detail is omitted. Applications of the method include the\nassessment of selectivity issues, support of mutagenesis studies, and the derivation of rules for focused\nscreening to identify chemical starting points in early drug discovery projects. Because of the coarseness of\nthis 3D receptor pharmacophore model, however, meaningful scoring and ranking procedures of large sets\nof molecules are not justified. The LPV analysis of the trace amine-associated receptor family and its\nexperimental validation is discussed as an example. The value of the 3D receptor model is demonstrated for\na class C GPCR family, the metabotropic glutamate receptors.
Use of polyurethanes as char-forming agents in polypropylene intumescent formulations (2000)

This work deals in the first part, with the fire retardancy of polypropylene (PP)/thermoplastic polyurethane (TPU)/ammonium polyphosphate (APP) intumescent blends, using TPU with different chemical compositions. The influence of the chemical nature of the polyol used in the synthesis of the TPU on the fire resistance (FR) of materials is discussed. Moreover, mechanical properties (elongation/stress relationship) of the polymeric materials are studied and related to the morphologies of the blends. Improved FR materials with very different mechanical properties are formulated. The second part deals with the evaluation of the dynamic properties of a particular FR PP/TPU/APP formulation. The experiments have been carried out using a thermal scanning rheometer as a fire reactor. First, the expansion of intumescent material under normal force is studied. Then, the study shows that the different steps of intumescent formation and degradation can be well evaluated from the measurement of viscosity. The loss of the protective character, ie reduction of heat and mass transfers related to the superficial foam morphology, may be explained by change of the viscosity of the charred material under stress. The influence of an external stress on the surface morphology of the char is then proposed. © 2000 Society of Chemical Industry
A cellular and spatial atlas of TP53 -associated tissue remodeling in lung adenocarcinoma (2023)

<i>TP53</i> is the most frequently mutated gene across many cancers and is associated with shorter survival in lung adenocarcinoma (LUAD). To define how <i>TP53</i> mutations affect the LUAD tumor microenvironment (TME), we constructed a multi-omic cellular and spatial tumor atlas of 23 treatment-naïve human lung tumors. We found that <i>TP53</i> -mutant ( <i>TP53</i> <sup>mut</sup> ) malignant cells lose alveolar identity and upregulate highly proliferative and entropic gene expression programs consistently across resectable LUAD patient tumors, genetically engineered mouse models, and cell lines harboring a wide spectrum of <i>TP53</i> mutations. We further identified a multicellular tumor niche composed of <i>SPP1 <sup>+</sup></i> macrophages and collagen-expressing fibroblasts that coincides with hypoxic, pro-metastatic expression programs in <i>TP53</i> <sup>mut</sup> tumors. Spatially correlated angiostatic and immune checkpoint interactions, including <i>CD274</i> - <i>PDCD1</i> and <i>PVR</i> - <i>TIGIT</i> , are also enriched in <i>TP53</i> <sup>mut</sup> LUAD tumors, which may influence response to checkpoint blockade therapy. Our methodology can be further applied to investigate mutation-specific TME changes in other cancers.
Studies of atmospheric propagation in the maritime environment at NRL (2007)

The US Naval Research Laboratory has an ongoing research effort in the continuous observation of the maritime environment for free space optical communications. One of the goals of our research program is to characterize the behavior of the maritime environment for lasercomm systems, and use the data gathered from the Lasercomm Test Facility (LCTF) at NRL-Chesapeake Bay Detachment (CBD) to develop a method of predicting the global availability of maritime lasercomm. The LCTF has provided volumes of information about maritime laser propagation and atmospheric turbulence. Highlights of the work on the characterization of the maritime atmosphere are provided in this paper.
Regulation of procollagen messenger ribonucleic acid levels in Rous sarcoma virus transformed chick embryo fibroblasts (1981)

Using cloned cDNAs for pro-alpha 1 and pro-alpha 2 collagen messenger ribonucleic acid (mRNA), we have investigated the regulation of collagen mRNA levels in Rous sarcoma virus (RSV) transformed chick embryo fibroblasts (CEF). We find that both pro-alpha 1 and pro-alpha 2 mRNA levels are decreased approximately 10-fold in CEF transformed by either the Bryan high-titer strain or the Schmidt-Ruppin strain of RSV. Using temperature-sensitive mutants in the transforming gene src, we also investigated the rate of change in the levels of the two mRNA species. We employed mutants of both the Bryan high-titre strain (BHTa) and the Schmidt-Ruppin strain (ts68). With both mutants the results were similar. Upon shift from the permissive temperature (35 degrees C) to the non-permissive temperature (41 degrees C), collagen mRNA synthesis, did not increase until more than 5 h had passed, suggesting that action of src on collagen gene expression is indirect. Upon shift from 41 to 35 degrees C, collagen mRNA levels fell with a half-life of 10 h. Whether this fall reflects the half-life of procollagen mRNA or an effect of src on procollagen RNA stability is unclear. Both pro-alpha 1 and pro-alpha 2 mRNA levels were coordinately controlled.
Stopping Voltage‐Dependent PCM and RRAM‐Based Neuromorphic Characteristics of Germanium Telluride (2023)

Abstract Recently, phase change chalcogenides, such as monochalcogenides, are reported as switching materials for conduction‐bridge‐based memristors. However, the switching mechanism focused on the formation and rupture of an Ag filament during the SET and RESET, neglecting the contributions of the phase change phenomenon and the distribution and re‐distribution of germanium vacancies defects. The different thicknesses of germanium telluride (GeTe)‐based Ag/GeTe/Pt devices are investigated and the effectiveness of phase loops and defect loops future application in neuromorphic computing are explored. GeTe‐based devices with thicknesses of 70, 100, and 200 nm, are fabricated and their electrical characteristics are investigated. Highly reproducible phase change and defect‐based characteristics for a 100 nm‐thick GeTe device are obtained. However, 70 and 200 nm‐thick devices are unfavorable for the reliable memory characteristics. Upon further analysis of the Ag/GeTe/Pt device with 100 nm of GeTe, it is discovered that a state‐of‐the‐art dependency of phase loops and defect loops exists on the starting and stopping voltage sweeps applied on the top Ag electrode. These findings allow for a deeper understanding of the switching mechanism of monochalcogenide‐based conduction‐bridge memristors.
Dispersion Control of High-k Waves in Tapered Hyperbolic Waveguides (2015)

The fundamental problem of efficiently outcoupling high-k waves from hyperbolic metamaterials is approached with an in-plane configuration, and enhanced with adiabatic tapering. This strategy may allow for better efficiency of Purcell enhanced quantum sources.
Seed Layer and Multistack Approaches to Reduce Leakage in SrTiO3-Based Metal–Insulator–Metal Capacitors Using TiN Bottom Electrode (2010)

Leakage reduction is crucial for metal–insulator–metal (MIM) capacitors for future dynamic random access memory (DRAM) nodes. In previous investigations we showed that increasing the Sr-content would result in leakage reduction of SrTiO 3 (STO) films deposited on TiN. [1,2] In this work we demonstrate for thin (10 nm) stoichiometric SrTiO 3 films that the leakage properties can be significantly lowered (while keeping high capacitance densities) by using stacking approaches such as seed layer (thin STO layer crystallized before the “bulk” STO deposition) and multistack SrTiO 3 /GdAlO 3 /SrTiO 3 . In this work, SrTiO 3 films are deposited using a low temperature ALD process enabling the use of low-cost, manufacturable-friendly TiN-bottom electrode.
Identification of Avramr1 from Phytophthora infestans using long read and cDNA pathogen-enrichment sequencing (PenSeq) (2020)

Summary Potato late blight, caused by the oomycete pathogen Phytophthora infestans , significantly hampers potato production. Recently, a new Resistance to Phytophthora infestans ( Rpi ) gene, Rpi-amr1 , was cloned from a wild Solanum species, Solanum americanum . Identification of the corresponding recognized effector ( Avirulence , or Avr) genes from P. infestans is key to elucidating their naturally occurring sequence variation, which in turn informs the potential durability of the cognate late blight resistance. To identify the P. infestans effector recognized by Rpi-amr1 , we screened available effector libraries and used long read and cDNA pathogen-enrichment sequencing (PenSeq) on four P. infestans isolates to explore the untested effectors. By using SMRT and cDNA PenSeq, we identified 47 highly expressed effectors from P. infestans , including PITG_07569 which triggers a highly specific cell death response when transiently co-expressed with Rpi-amr1 in Nicotiana benthamiana , suggesting that PITG_07569 is Avramr1 . Here we demonstrate that long read and cDNA PenSeq enables the identification of full-length RxLR effector families, and their expression profile. This study has revealed key insights into the evolution and polymorphism of a complex RxLR effector family that is associated with the recognition by Rpi-amr1 .
Catatonia as an Unusual Presentation of Posttraumatic Stress Disorder (1995)

A patient with posttraumatic stress disorder (PTSD) had several episodes of catatonia in the past 44 years. These episodes were characterized by a sudden onset of intense excitement, mild pyrexia, often moderate elevation of serum creatinine phosphokinase and the development of a full catatonic state. We could not relate the symptomatology exhibited to any one of the accepted etiologies of catatonia. We assume, following careful evaluation of the clinical picture, and thorough biochemical and imaging work-up, that in this case the catatonic states represented an overwhelming psychic response to associated traumatic recollections, bringing to extreme the avoidance, numbness and motor responses usually encountered in PTSD.
Synthesis of 1‐Octanol and 1,1‐Dioctyl Ether from Biomass‐Derived Platform Chemicals (2012)

Die goldene Mitte: Ein katalytischer Reaktionsweg zur Synthese der linearen primären C8-Alkohole 1-Octanol und Dioctylether aus Furfural und Aceton wurde auf Basis einer retrosynthetischen Analyse entwickelt. Dies eröffnet einen allgemeinen Zugang zu Alkoholen mittlerer Kettenlänge aus Kohlenhydrat-Rohstoffen. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
Visualized flow patterns of double concentric jets at low annulus velocities (1994)

The flow structures in the near wake region of the unducted double concentric jets at low Reynolds numbers are studied by smoke-wire flow visualization technique. Four typical characteristic flow regimes—weak flow, pre-penetration, transition, and penetration—are identified for different jet velocities in the near disk region. Flow patterns and behavior in each characteristic flow regime are investigated. The contours of the separation surfaces and the lengths of the recirculation zone in various flow regimes are correlated with nondimensional parameters. The recirculation length reaches a maximum in the transition region. The toroidal recirculation region exhibits both expelling and shear-layer vortex shedding. The shedding processes are presented, and the frequencies are correlated with Strouhal number and central-to-annular jet velocity ratio. Nomenclature D - diameter of circular disk, 20 mm Da = outer diameter of annular jet, 30 mm Dc = exit diameter of central jet, 3.4 mm / = frequency of vortex shedding, Hz Ja = momentum flux of annular jet, pau2a Jc = momentum flux of central jet, pcwj Lr = axial length of recirculation zone R - radius of circular disk, 10 mm Rea = Reynolds number of annular jet based on the disk diameter Rec - Reynolds number of central jet based on the central jet diameter r = radial coordinate, originated from center of circular disk St = Strouhal number, fD/ua ua = average exit velocity of annular jet uc = average exit velocity of central jet ud = displacement velocity, 03uc- ua wmax = maximum half-width of the recirculation zone Z = axial coordinate, originated from center of circular disk pa = mass density of annular flow pc = mass density of central jet
Physical mapping of genes in somatic cell radiation hybrids by comparative genomic hybridization to cDNA microarrays (2002)

The results indicate that our physical mapping method based on radiation hybrids and array-CGH should significantly enhance the speed and efficiency of positional cloning in somatic cell genetics.
ChemInform Abstract: Synthesis and Biological Activity of Carboxyphenylquinolines and Related Compounds as New Potent Retinoids. Retinobenzoic Acids. Part 7. (1995)

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.
Sex, Politics and Empire (2006)

Acknowledgements Introduction: Mapping the tyranny 1. Spreading political knowledge: English newspapers, correspondents, travellers 2. Provincialising European sexuality politics: the age of consent in India 3. Colonial departures: Australian activists on the age of consent and prostitution 4. Heterogeneous imperialism: deciding against regulation in West Africa 5. Generative margins: introducing a stronger form of regulation in Bombay 6. Drawing distinctions: Richard Burton's interventions on sex between men 7. Experimental and creative places: Creole interventions in Sierra Leone Conclusion: Fields of understanding and political action References -- .
Binocular visual deficits at mid to high spatial frequency in treated amblyopes (2021)

Amblyopia (lazy eye) is a neurodevelopmental disorder of vision with no ocular pathology. The loss of vision in the amblyopic eye is assumed to be the main deficit in amblyopia, which has resulted in visual acuity (VA) being the primary outcome measure for treatment. Here we used a binocular orientation combination task to quantitatively assess the binocular status by measuring the binocular balance. We set out to determine whether amblyopes who reach the acuity-based end point have a residual binocular imbalance. Our results suggest that even amblyopes who have regained normal acuity have residual binocular deficits over a wide range of spatial frequencies. A further control study suggests that these binocular deficits could not be explained by any residual contrast sensitivity deficits of the amblyopic eye. Consequently, amblyopia is not the primary problem and VA is not the appropriate end point measure.