gebhart/patrepeval huggingface dataset:
A quantum molecular movie: polyad predissociation dynamics in the VUV excited 3pσ2Σu state of NO2 (2020)

The optical formation of coherent superposition states, a wavepacket, can allow the study of zeroth-order states, the evolution of which exhibit structural and electronic changes as a function of time: this leads to the notion of a molecular movie. Intramolecular vibrational energy redistribution, due to anharmonic coupling between modes, is the molecular movie considered here. There is no guarantee, however, that the formed superposition will behave semi-classically (e.g. Gaussian wavepacket dynamics) or even as an intuitively useful zeroth-order state. Here we present time-resolved photoelectron spectroscopy (TRPES) studies of an electronically excited triatomic molecule wherein the vibrational dynamics must be treated quantum mechanically and the simple picture of population flow between coupled normal modes fails. Specifically, we report on vibronic wavepacket dynamics in the zeroth-order 3pσ2Σu Rydberg state of NO2. This wavepacket exemplifies two general features of excited state dynamics in polyatomic molecules: anharmonic multimodal vibrational coupling (forming polyads); nonadiabatic coupling between nuclear and electronic coordinates, leading to predissociation. The latter suggests that the polyad vibrational states in the zeroth-order 3p Rydberg manifold are quasi-bound and best understood to be scattering resonances. We observed a rapid dephasing of an initially prepared 'bright' valence state into the relatively long-lived 3p Rydberg state whose multimodal vibrational dynamics and decay we monitor as a function of time. Our quantum simulations, based on an effective spectroscopic Hamiltonian, describe the essential features of the multimodal Fermi resonance-driven vibrational dynamics in the 3p state. We also present evidence of polyad-specificity in the state-dependent predissociation rates, leading to free atomic and molecular fragments. We emphasize that a quantum molecular movie is required to visualize wavepacket dynamics in the 3pσ2Σu Rydberg state of NO2.
Comparison of in situ and columnar aerosol spectral measurements during TexAQS-GoMACCS 2006: testing parameterizations for estimating aerosol fine mode properties (2010)

Abstract. During the 2006 Texas Air Quality Study and Gulf of Mexico Atmospheric Composition and Climate Study (TexAQS-GoMACCS 2006), the optical, chemical and microphysical properties of atmospheric aerosols were measured on multiple mobile platforms and at ground based stations. In situ measurements of the aerosol light extinction coefficient (σep) were performed by two multi-wavelength cavity ring-down (CRD) instruments, one located on board the NOAA R/V Ronald H. Brown (RHB) and the other located at the University of Houston, Moody Tower (UHMT). An AERONET sunphotometer was also located at the UHMT to measure the columnar aerosol optical depth (AOD). The σep data were used to extract the extinction Ångström exponent (åep), a measure of the wavelength dependence of σep. There was general agreement between the åep (and to a lesser degree σep) measurements by the two spatially separated CRD instruments during multi-day periods, suggesting a regional scale consistency of the sampled aerosols. Two spectral models are applied to the σep and AOD data to extract the fine mode fraction of extinction (η) and the fine mode effective radius (Reff,f). These two parameters are robust measures of the fine mode contribution to total extinction and the fine mode size distribution, respectively. The results of the analysis are compared to Reff,f values extracted using AERONET V2 retrievals and calculated from in situ particle size measurements on the RHB and at UHMT. During a time period when fine mode aerosols dominated the extinction over a large area extending from Houston/Galveston Bay and out into the Gulf of Mexico, the various methods for obtaining Reff,f agree qualitatively (showing the same temporal trend) and quantitatively (pooled standard deviation = 28 nm).
<sc>IEEE Transactions on Intelligent Vehicles</sc> Associate Editors (2016)

Presents the biographies of the Associate Editors for this issue of the publication.
Engineered leucine zippers show that hemiphosphorylated CREB complexes are transcriptionally active. (1993)

The ability of basic/leucine zipper transcription factors to form homo- and heterodimers potentially increases the diversity of signaling pathways that can impinge upon a single genetic element. The capacity of these proteins to dimerize in various combinations complicates the analysis of their functional properties, however. To simplify the functional analysis of CREB dimers, we mutated selected residues within the leucine zipper region to generate proteins that could only heterodimerize. These mutants allowed us to determine whether phosphorylation of both CREB subunits was necessary for transcriptional activation. Our results reveal that hemiphosphorylated CREB dimers are half as active as fully phosphorylated dimers. It is possible, therefore, that the degree of phosphorylation of CREB complexes could modulate the transcriptional responses of specific genes to cAMP.
Interleukin-5 Receptor (2019)

The production of eosinophils can be influenced by various cytokines, including interleukin-5 (IL-5) and granulocyte-macrophage colony-stimulating factor. There is ample evidence that IL-5 plays a crucial role in both in vitro and in vivo assay systems in eosinophilopoiesis in a lineage-specific manner. IL-5 is a T-cell-derived glycoprotein that stimulates eosinophil colony formation and growth and differentiation of eosinophils. Multiple cytokines including IL-5 control cells in any one lineage and are active on cells of more than one lineage. This redundancy and pleiotropy of cytokines are explained by two processes. The first is interaction at the ligand-receptor level. Individual cells in each lineage simultaneously display receptors for more than one growth factor. The second process is cross-talk at the intracytoplasmic level for the signal transduction cascade. The IL-5 signal can be transduced through the high-affinity IL-5 receptors and consist of two different polypeptide chains; alpha and beta.
Fluidic operational amplifier for mock circulatory systems - simulation and experimental results (2005)

For the development of cardiovascular devices and the study of the dynamics of blood flow through the cardiovascular system, hardware fluidic models are commonly used to minimize animal experiments and clinical trials. These systems, called "mock circulatory systems" (MCS) are also critical for the development of ventricular assist devices (VAD). The passive and active elements in these systems are frequently "hard-plumbed" and are difficult to modify in experimental studies. Therefore we propose a novel fluidic operational amplifier comprised of a high-gain feedback-controlled gear pump. With pressure being the analog of voltage, design with the fluidic op-amp is analogous to electrical op-amp design. Initial computer and hardware simulation results demonstrate that device may be programmed for use in mock circulatory systems to emulate the function of the energy sources (the ventricle) or passive networks (hemodynamic loads).
BTNL2, a Butyrophilin/B7-Like Molecule, Is a Negative Costimulatory Molecule Modulated in Intestinal Inflammation (2007)

Butyrophilin-like 2 (BTNL2) is a butyrophilin family member with homology to the B7 costimulatory molecules, polymorphisms of which have been recently associated through genetic analyses to sporadic inclusion body myositis and sarcoidosis. We have characterized the full structure, expression, and function of BTNL2. Structural analysis of BTNL2 shows a molecule with an extracellular region containing two sets of two Ig domains, a transmembrane region, and a previously unreported cytoplasmic tail. Unlike most other butyrophilin members, BTNL2 lacks the prototypical B30.2 ring domain. TaqMan and Northern blot analysis indicate BTNL2 is predominantly expressed in digestive tract tissues, in particular small intestine and Peyer's patches. Immunohistochemistry with BTNL2-specific Abs further localizes BTNL2 to epithelial and dendritic cells within these tissues. Despite its homology to the B7 family, BTNL2 does not bind any of the known B7 family receptors such as CD28, CTLA-4, PD-1, ICOS, or B and T lymphocyte attenuator. Because of its localization in the gut and potential role in the immune system, BTNL2 expression was analyzed in a mouse model of inflammatory bowel disease. BTNL2 is overexpressed during both the asymptomatic and symptomatic phase of the Mdr1a knockout model of spontaneous colitis. In functional assays, soluble BTNL2-Fc protein inhibits the proliferation of murine CD4(+) T cells from the spleen, mesenteric lymph node, and Peyer's patch. In addition, BTNL2-Fc reduces proliferation and cytokine production from T cells activated by anti-CD3 and B7-related protein 1. These data suggest a role for BTNL2 as a negative costimulatory molecule with implications for inflammatory disease.
The air entrainment and hydrodynamic shear of the liquid slosh in syringes (2022)

Understanding the interface motion and hydrodynamic shear induced by the liquid sloshing during the insertion stage of an autoinjector can help improve drug product administration. We perform experiments to investigate the interfacial motion and hydrodynamic shear due to the acceleration and deceleration of syringes. The goal is to explore the role of fluid properties, air gap size, and syringe acceleration on the interface dynamics caused by autoinjector activation. We used a simplified autoinjector platform to record the syringe and liquid motion without any view obstruction. Water and silicone oil with the same viscosity are used as the model fluids. Particle Image Velocimetry (PIV) is employed to measure the velocity field. Simultaneous shadowgraph visualization captures the air entrainment. Our in-house PIV and image processing algorithms are used to quantify the hydrodynamic stress and interfacial area to investigate the effects of various autoinjector design parameters and fluid types on liquid sloshing. The results indicate that reducing the air gap volume and syringe acceleration/deceleration mitigate the interface area and effective shear. Moreover, the interfacial area and induced hydrodynamic stress decrease with the Fr=U/aD, where U is the interface velocity, a is the maximum syringe acceleration, and D is the syringe diameter.
AnyTOD: A Programmable Task-Oriented Dialog System (2022)

We propose AnyTOD, an end-to-end, zero-shot task-oriented dialog (TOD) system capable of handling unseen tasks without task-specific training. We view TOD as a program executed by a language model (LM), where program logic and ontology is provided by a designer as a schema. To enable generalization to unseen schemas and programs without prior training, AnyTOD adopts a neuro-symbolic approach. A neural LM keeps track of events occurring during a conversation and a symbolic program implementing the dialog policy is executed to recommend next actions AnyTOD should take. This approach drastically reduces data annotation and model training requirements, addressing the enduring challenge of rapidly adapting a TOD system to unseen tasks and domains. We demonstrate state-of-the-art results on STAR, ABCD and SGD benchmarks. We also demonstrate strong zero-shot transfer ability in low-resource settings, such as zero-shot on MultiWOZ. In addition, we release STARv2, an updated version of the STAR dataset with richer annotations, for benchmarking zero-shot end-to-end TOD models.
Comparative assessment of freeform polynomials as optical surface descriptions (2012)

Slow-servo single-point diamond turning as well as advances in computer controlled small lap polishing enables the fabrication of freeform optics, or more specifically, optical surfaces for imaging applications that are not rotationally symmetric. Various forms of polynomials for describing freeform optical surfaces exist in optical design and to support fabrication. A popular method is to add orthogonal polynomials onto a conic section. In this paper, recently introduced gradient-orthogonal polynomials are investigated in a comparative manner with the widely known Zernike polynomials. In order to achieve numerical robustness when higher-order polynomials are required to describe freeform surfaces, recurrence relations are a key enabler. Results in this paper establish the equivalence of both polynomial sets in accurately describing freeform surfaces under stringent conditions. Quantifying the accuracy of these two freeform surface descriptions is a critical step in the future application of these tools in both advanced optical system design and optical fabrication.
Beyond growth rate 0.6: Corynebacterium glutamicum cultivated in highly diluted environments (2012)

Fast growth of industrial microorganisms, such as Corynebacterium glutamicum, is a direct amplifier for the productivity of any growth coupled or decoupled production process. Recently, it has been shown that C. glutamicum when grown in a novel picoliter bioreactor (PLBR) exhibits a 50% higher growth rate compared to a 1 L batch cultivation [Grünberger et al. (2012) Lab Chip]. We here compare growth of C. glutamicum with glucose as substrate at different scales covering batch cultivations in the liter range down to single cell cultivations in the picoliter range. The maximum growth rate of standard batch cultures as estimated from different biomass quantification methods is mu = 0.42 ± 0.03 h(-1) even for microtiter scale cultivations. In contrast, growth in a microfluidic perfusion system enabling analysis of single cells reproducibly reveals a higher growth rate of mu = 0.62 ± 0.02 h(-1). When in the same perfusion system cell-free supernatant from exponentially grown shake flask cultures is used the growth rate of single cells is reduced to mu = 0.47 ± 0.02 h(-1). Likewise, when fresh medium is additionally supplied with 5 mM acetate, a growth rate of mu = 0.51 ± 0.01 h(-1) is determined. These results prove that higher growth rates of C. glutamicum than known from typical batch cultivations are possible, and that growth is definitely impaired by very low concentrations of byproducts such as acetate.
Abstract 1730: A translational platform using primary human immune cells in vitro, syngeneic and humanized models in vivo to support and advance immuno-oncology drug discovery (2018)

Abstract Charles River Laboratories (CRL) has established a powerful translational immuno-oncology platform with the capability of progressing biologics or small-molecule modulators of immune response from in vitro to in vivo assays using human and mouse variants of current checkpoint inhibitors and small molecules. Utilizing a blood donor panel, our in vitro platform includes primary human immune cell assays that profile T-cell activation, T cell mediated-cancer cell kill, expansion of T-cell populations, mixed lymphocyte reactions (MLR), T-cell invasion, and antibody-dependent cellular cytotoxicity (ADCC) and complement-dependent cytotoxicity (CDC). The platform is currently being expanded to determine the effect of activated immune cell populations on tumor cell spheroid cultures. It has been validated with standard-of-care chemotherapeutics, including anti-CTLA4, anti-PD1 and a selection of small-molecule inhibitors of targets known to modulate immune responses including IDO inhibitors. Ex vivo analysis of activated mouse splenocyte response to checkpoint inhibitors, measured as cytokine release, and modulation of immune cell populations, as determined by flow cytometry, supports the translation of important compounds from the bench to preclinical models. Syngeneic mouse tumor models have frequently been used to profile immune responses in tumors; CRL has optimized and profiled existing checkpoint inhibitors to support immuno-oncology drug discovery using mouse and rat antibody variants of anti-CTLA4 and anti-PD1. To confirm the translational development of our platform in human tissue, CRL has developed and optimized humanized mouse models using subcutaneous implanted patient-derived xenografts (PDX) with human engraftment via CD34+ haematopoeitic stem cells in NOG mice, which were treated with anti-CTLA4 and anti-PD1. Infiltration of human immune cells and PDL-1 expression was detected by flow cytometry (FC) and immunohistochemistry (IHC) in hematopoietic organs and tumor tissue, supporting the initial in vitro response in primary immune cells. Here we present a screening platform, validated with standard-of-care chemotherapeutics, which will support translation of compounds from in vitro primary immune cell assays to modulation of mouse immune cell population in spleen and tumors, resulting in efficacy and tumor immune cell activation in humanized mouse models. Citation Format: Martin O'Rourke, Shilina Roman, Gary Salmon, Ian Waddell, Julia Schueler, Edgar Wood. A translational platform using primary human immune cells in vitro, syngeneic and humanized models in vivo to support and advance immuno-oncology drug discovery [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2018; 2018 Apr 14-18; Chicago, IL. Philadelphia (PA): AACR; Cancer Res 2018;78(13 Suppl):Abstract nr 1730.
Integral Continual Learning Along the Tangent Vector Field of Tasks (2022)

We propose a lightweight continual learning method which incorporates information from specialized datasets incrementally, by integrating it along the vector field of "generalist" models. The tangent plane to the specialist model acts as a generalist guide and avoids the kind of over-fitting that leads to catastrophic forgetting, while exploiting the convexity of the optimization landscape in the tangent plane. It maintains a small fixed-size memory buffer, as low as 0.4% of the source datasets, which is updated by simple resampling. Our method achieves strong performance across various buffer sizes for different datasets. Specifically, in the class-incremental setting we outperform the existing methods that do not require distillation by an average of 18.77% and 28.48%, for Seq-CIFAR-10 and Seq-TinyImageNet respectively. Our method can easily be used in conjunction with existing replay-based continual learning methods. When memory buffer constraints are relaxed to allow storage of metadata such as logits, we attain an error reduction of 17.84% towards the paragon performance on Seq-CIFAR-10.
Perturbation theory to model shielding effectiveness of cavities loaded with electromagnetic dampeners (2019)

It is well‐known that a slotted resonant cavity with high‐quality factor exhibits interior electromagnetic (EM) fields that may be even larger than the external field. The authors aim to reduce the cavity's EM fields and quality factor over a frequency band analytically, numerically, and experimentally by introducing microwave absorbing materials in the cavity. A perturbation model approach was developed to estimate the quality factor of loaded cavities, which is validated against full‐wave simulations and experiments. Results with 78.7 mils (2 mm) thick ECCOSORB‐MCS absorber placed on the inside cavity wall above and below the aperture slot (with only 0.026% cavity volume) result in a reduction of shielding effectiveness &gt;19 dB and reductions in quality factor &gt;91%, providing confirmation of the efficacy of this approach.
Contour based metrology: “make measurable what is not so" (2020)

Galileo Galilei once quoted: “Measure what is measurable, and make measurable what is not so”. In silicon manufacturing R&amp;D phase, it often happens that engineers would like to access some parameter values that are not easy, even impossible to measure. When looking at a CDSEM image, the parameters of interest seem easy to extract but in practice getting access to them in a robust and reliable way is not always simple. Developing a contour-based metrology tool coupling robust contour extraction with a comprehensive contour metrology environment could help to bridge this gap. In previous works, it has been shown that SEM images contain significant amounts of information that can be extracted and analyzed using efficient contour extraction and analysis toolboxes [1, 2]. Also, the concept of implementing remote contour-based metrology has been introduced. The present work continues to unveil what can be achieved with such solutions. For that, the example of implant layers’ process assumption will be explored. During this process step, counter doping problems can occur for example when the distance between layers deviates from nominal. Therefore, it is crucial for design rule control to measure some critical dimensions such as minimum distance between layers, corner rounding, slope, etc. However, given the characteristics of the different structures in the images, which may come from different layers and/or processes steps, the measurements are not straightforward to extract with standard CDSEM metrology algorithms. Moreover, recipes are complex to setup, measurements by themselves are not very stable, and usually an indirect determination of the key figure is performed. In this paper, we will show that multilayer contour-based metrology, mixing image contour and GDS layout, allows to overcome the previously mentioned difficulties, as well as to generate measurements that are not possible to be performed by using standard algorithms.
In-Situ Atomic Structure of Underpotentially Deposited Monolayers of Pb and Tl on Au(111) and Ag(111): A Surface X-ray Scattering Study (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIn-Situ Atomic Structure of Underpotentially Deposited Monolayers of Pb and Tl on Au(111) and Ag(111): A Surface X-ray Scattering StudyMichael F. Toney, Joseph G. Gordon, Mahesh G. Samant, Gary L. Borges, Owen R. Melroy, Dennis Yee, and Larry B. SorensenCite this: J. Phys. Chem. 1995, 99, 13, 4733–4744Publication Date (Print):March 1, 1995Publication History Published online1 May 2002Published inissue 1 March 1995https://pubs.acs.org/doi/10.1021/j100013a050https://doi.org/10.1021/j100013a050research-articleACS PublicationsRequest reuse permissionsArticle Views494Altmetric-Citations91LEARN 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
Multi‐electron transfer processes for molecular conversions (1995)

Abstract Multi‐electron transfer plays an important role in many chemical reactions. A collection of examples, both of metal complexes that exhibit one‐step, multi‐electron transfer process, and of chemical reactions based on a multi‐electron transfer system, is presented. Emphasis is placed on the role of multi‐electron transfer process in a sense that some molecular conversion systems such as reduction of O 2 and oxidation of H 2 O become feasible through multi‐electron transfer. As an important example of molecular conversion, oxidative polymerization of sulfur‐containing compounds through two‐electron transfer, is also reviewed.