gebhart/patrepeval huggingface dataset:
Low thermal conductivity and high thermoelectric figure of merit in n-type BaxYbyCo4Sb12 double-filled skutterudites (2008)

Filled skutterudites are one of the most promising thermoelectric materials for power generation applications. The choice and concentration of filler atoms are key aspects for achieving high thermoelectric figure of merit values. We report on the high temperature thermoelectric properties in the double-filled skutterudites BaxYbyCo4Sb12. The combination of Ba and Yb fillers inside the voids of the skutterudite structure provides a broad range of resonant phonon scattering and consequently a strong suppression in the lattice thermal conductivity is observed. A dimensionless thermoelectric figure of merit of 1.36 at 800K is achievable for n-type BaxYbyCo4Sb12.
Failure After Failure. What Next in AD Drug Development? (2019)

The Phase 3 aducanumab program in early AD has been stopped based on a futility efficacy analysis. This huge disappointment follows exciting preliminary studies that had raised expectations (1). Now this frustrating result joins the long series of negative and interrupted trials of potential disease-modifying agents, going back to tarenflurbil (2), tramiprosate (3), and bapineuzumab (4), among many others. Is the amyloid hypothesis wrong? Where do we go from here?
RANSAC-based training data selection for emotion recognition from spontaneous speech (2010)

Training datasets containing spontaneous emotional expressions are often imperfect due the ambiguities and difficulties of labeling such data by human observers. In this paper, we present a Random Sampling Consensus (RANSAC) based training approach for the problem of emotion recognition from spontaneous speech recordings. Our motivation is to insert a data cleaning process to the training phase of the Hidden Markov Models (HMMs) for the purpose of removing some suspicious instances of labels that may exist in the training dataset. Our experiments using HMMs with various number of states and Gaussian mixtures per state indicate that utilization of RANSAC in the training phase provides an improvement of up to 2.84% in the unweighted recall rates on the test set. . This improvement in the accuracy of the classifier is shown to be statistically significant using McNemar's test.
Enhanced Reactivity of a Biomimetic Iron(II) α‐Keto Acid Complex through Immobilization on Functionalized Gold Nanoparticles (2013)

Immobilized biomimetic iron complex: An iron(II) benzoylformate complex of a thiol-appended N4 ligand immobilized on gold nanoparticles activates dioxygen to carry out oxidative decarboxylation of benzoylformic acid to benzoic acid catalytically. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to 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.
Electrochemistry of polynuclear transition metal cyanides: Prussian blue and its analogues (1986)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectrochemistry of polynuclear transition metal cyanides: Prussian blue and its analoguesKingo Itaya, Isamu Uchida, and Vernon D. NeffCite this: Acc. Chem. Res. 1986, 19, 6, 162–168Publication Date (Print):June 1, 1986Publication History Published online1 May 2002Published inissue 1 June 1986https://pubs.acs.org/doi/10.1021/ar00126a001https://doi.org/10.1021/ar00126a001research-articleACS PublicationsRequest reuse permissionsArticle Views5638Altmetric-Citations833LEARN 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
Antibacterial and Antifungal Effects of Essential Oils from Coniferous Trees (2004)

Essential oils have potential biological effects, i.e., antibiotic, anticarcinogenic, and sedative effects during stress. In the present study, we investigated the antibacterial and antifungal effects of essential oils extracted from the coniferous species Pinus densiflora, Pinus koraiensis, and Chamaecyparis obtusa, because their biological activities have not been yet elucidated. The essential oils were quantified using gas chromatography and identified in gas chromatography-mass spectrometric analysis. Simultaneously, antibacterial and antifungal assays were performed using the essential oils distilled from the needles of coniferous trees. The major components and the percentage of each essential oil were: 19.33% beta-thujene in P. densiflora; 10.49% alpha-pinene in P. koraiensis; 10.88% bornyl acetate in C. obtusa. The essential oils from P. densiflora and C. obtusa have antibacterial effects, whereas essential oils from P. koraiensis and C. obtusa have antifungal effects. These results indicate that the essential oils from the three coniferous trees, which have mild antimicrobial properties, can inhibit the growth of gram-positive and gram-negative bacteria and fungi.
Data from Relative Target Affinities of T-Cell–Dependent Bispecific Antibodies Determine Biodistribution in a Solid Tumor Mouse Model (2023)

&lt;div&gt;Abstract&lt;p&gt;Anti-HER2/CD3, a T-cell–dependent bispecific antibody (TDB) construct, induces T-cell–mediated cell death in cancer cells expressing HER2 by cross-linking tumor HER2 with CD3 on cytotoxic T cells, thereby creating a functional cytolytic synapse. TDB design is a very challenging process that requires consideration of multiple parameters. Although therapeutic antibody design strategy is commonly driven by striving for the highest attainable antigen-binding affinity, little is known about how the affinity of each TDB arm can affect the targeting ability of the other arm and the consequent distribution and efficacy. To our knowledge, no distribution studies have been published using preclinical models wherein the T-cell–targeting arm of the TDB is actively bound to T cells. We used a combined approach involving radiochemistry, invasive biodistribution, and noninvasive single-photon emission tomographic (SPECT) imaging to measure TDB distribution and catabolism in transgenic mice with human CD3ϵ expression on T cells. Using CD3 affinity variants, we assessed the impact of CD3 affinity on short-term pharmacokinetics, tissue distribution, and cellular uptake. Our experimental approach determined the relative effects of (i) CD3 targeting to normal tissues, (ii) HER2 targeting to HER2-expressing tumors, and (iii) relative HER2/CD3 affinity, all as critical drivers for TDB distribution. We observed a strong correlation between CD3 affinity and distribution to T-cell–rich tissues, with higher CD3 affinity reducing systemic exposure and shifting TDB distribution away from tumor to T-cell–containing tissues. These observations have important implications for clinical translation of bispecific antibodies for cancer immunotherapy. &lt;i&gt;Mol Cancer Ther; 17(4); 776–85. ©2018 AACR&lt;/i&gt;.&lt;/p&gt;&lt;/div&gt;
Segregation of NaBr in NaBr/NaCl crystals grown from aqueous solutions: Implications for sea salt surface chemistry (2001)

Surface segregation of NaBr in mixed NaBr/NaCl crystals precipitated from aqueous solutions containing Br is investigated. Crystals were grown from solutions of a wide range of Br:Cl values and studied using x‐ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy‐dispersive x‐ray fluorescence (EDX), and atomic force microscopy (AFM). Results indicate that NaBr surface‐segregates to cover 4–5% of the surface at the Br:Cl value found in sea water (1:660). The surface NaBr:NaCl values are ∼35 times higher those of the bulk crystals. The surface NaBr forms domains of average size 635 nm × 635 nm × 53 nm. Large areas of the surface contain NaCl with no detectable NaBr. Complete surface segregation of all Br found in sea salt particles is likely to occur, thereby making a greater amount of Br available for surface reactions with gas‐phase constituents than would be predicted based on bulk composition.
A colloidoscope of colloid-based porous materials and their uses (2015)

Nature evolved a variety of hierarchical structures that produce sophisticated functions. Inspired by these natural materials, colloidal self-assembly provides a convenient way to produce structures from simple building blocks with a variety of complex functions beyond those found in nature. In particular, colloid-based porous materials (CBPM) can be made from a wide variety of materials. The internal structure of CBPM also has several key attributes, namely porosity on a sub-micrometer length scale, interconnectivity of these pores, and a controllable degree of order. The combination of structure and composition allow CBPM to attain properties important for modern applications such as photonic inks, colorimetric sensors, self-cleaning surfaces, water purification systems, or batteries. This review summarizes recent developments in the field of CBPM, including principles for their design, fabrication, and applications, with a particular focus on structural features and materials' properties that enable these applications. We begin with a short introduction to the wide variety of patterns that can be generated by colloidal self-assembly and templating processes. We then discuss different applications of such structures, focusing on optics, wetting, sensing, catalysis, and electrodes. Different fields of applications require different properties, yet the modularity of the assembly process of CBPM provides a high degree of tunability and tailorability in composition and structure. We examine the significance of properties such as structure, composition, and degree of order on the materials' functions and use, as well as trends in and future directions for the development of CBPM.
Real-world treatment patterns of subsequent therapy after palbociclib in patients with advanced breast cancer in Japan (2023)

This real-world study revealed that one-third of the patients received sequential CDK4/6i after ET + palbociclib, and treatment duration of ET + CDK4/6i following ET + palbociclib was the longest among the treatment options. Further data are awaited to determine whether ET + targeted therapy with CDK4/6i and mTORi provides acceptable treatment options following ET + palbociclib.
Design of a membrane protein for site-specific proteolysis: properties of engineered factor Xa protease sites in the lactose permease of Escherichia coli (1995)

Lactose permease is a polytopic membrane transport protein with 12 hydrophobic transmembrane domains connected by hydrophilic loops on the cytoplasmic and periplasmic sides of the membrane. By the use of an active permease mutant devoid of Cys residues (C-less permease), single recognition sites (Ile-Glu-Gly-Arg) for the protease factor Xa (fXa) were engineered into hydrophilic loops 7, 8, and 10 in the C-terminal half of the protein. Mutants carrying single sites inserted at position 255, 259 (loop 7), 283, 286 (loop 8), or 341 (loop 10) exhibit significant lactose accumulation (30-70% of C-less permease) and normal levels of expression in the membrane. However, despite solubilization in dodecyl beta-D-maltoside, none of the mutant permeases is proteolyzed by fXa to a significant extent. Insertion of two recognition sites in tandem at position 255 results in partial cleavage, and remarkably, introduction of three sites in tandem leads to complete proteolysis by fXa. Importantly, mutants with two or three fXa sites at position 255 accumulate lactose to high levels (70% of C-less) and are present in the membrane in amounts comparable to that of C-less permease. The results indicate that hydrophilic loops 7, 8, and 10 are buried in the tertiary structure of the permease where they are inaccessible to protease. Insertion of tandem sites probably facilitates proteolysis by causing loops to become more accessible to the aqueous phase and by increasing the local concentration of protease recognition sites. The approach should be applicable to other polytopic membrane proteins.
Etude théorique et expérimentale de la liaison de deux puits par fracturation hydraulique (1984)

La nécessité de réaliser, dans une couche mince et située à plus de 1000 m de profondeur, une communication hydraulique ou pneumatique entre deux sondages verticaux, a conduit à l'étude d'une méthode basée sur la fracturation hydraulique des puits à relier. Une telle approche suppose que l'on connaisse ou que l'on contrôle la direction des fractures développées. Les techniques actuelles ne permettant pas d'apprécier la direction de fracture avec une précision suffisante, la méthode proposée vise à influencer favorablement cette direction. Elle est basée sur une modification des contraintes effectives en place par une injection préalable de fluide dans les puits à relier. Les résultats obtenus au moyen de calculs analytiques et numériques à deux dimensions sont présentés, ainsi que les expériences réalisées sur un modèle physique en laboratoire.
The role of field spectroscopy in airborne sensor calibration: the example of the NERC CASI (2002)

This paper reports on a preliminary experiment to undertake in-flight radiance calibration validation (cal-val) of the NERC CASI. The approach involved comparing CASI radiance values of a single, well characterised target with synchronised measurements of target radiance obtained at the ground with a calibrated spectroradiometer. CASI data were obtained at two altitudes: 853m and 3109m, in spatial mode using the default vegetation band-set. For the lower altitude image, there was very good agreement between the image and ground-measured radiance especially in bands 4 to 6 (670nm-710nm). An atmospheric correction based on the multi-height image data significantly improved the image versus ground comparison for bands 1 to 3, where scattering dominates. However, the correction performed less well for the two NIR bands coincident with the atmospheric absorption regions (band 9 at 762nm and band 13 at 940nm). For the asphalt target, estimating radiance from spectral reflectance measured post-flight combined with spectral irradiance measured during the flights was found to be a viable alternative to measuring radiance. Overall, the results suggest the method could be developed further to provide in-flight calibration validation of the CASI to supplement or replace the mid-season laboratory calibration.
A Methodology for Power-aware Pipelining via High-Level Performance Model Evaluations (2009)

Power is one of the major constraints considered during the design of embedded software. In order to reduce power consumption without sacrificing performance, software needs to be optimized in order to run as efficiently as possible on a given platform. When attempting to optimize the mapping of a piece of software on a multiprocessor system, designers often face the chicken-and-egg problem of whether to schedule tasks first, or do memory allocation first, as either step will affect the different optimization opportunities the other may provide. Because each optimization will affect the system's power consumption, it is critically important to be able to monitor the effects these transformations have. In this paper we present a methodology that allows designers to quickly evaluate the impact each code optimization will have in the system's power. Our exploration engine relies on SystemC-based power/performance models to quickly and accurately evaluate the dynamic power due to memory accesses as well as the expected CPU power consumption.
Linguistic communication as (inverse) reward design (2022)

Natural language is an intuitive and expressive way to communicate reward information to autonomous agents. It encompasses everything from concrete instructions to abstract descriptions of the world. Despite this, natural language is often challenging to learn from: it is difficult for machine learning methods to make appropriate inferences from such a wide range of input. This paper proposes a generalization of reward design as a unifying principle to ground linguistic communication: speakers choose utterances to maximize expected rewards from the listener's future behaviors. We first extend reward design to incorporate reasoning about unknown future states in a linear bandit setting. We then define a speaker model which chooses utterances according to this objective. Simulations show that short-horizon speakers (reasoning primarily about a single, known state) tend to use instructions, while long-horizon speakers (reasoning primarily about unknown, future states) tend to describe the reward function. We then define a pragmatic listener which performs inverse reward design by jointly inferring the speaker's latent horizon and rewards. Our findings suggest that this extension of reward design to linguistic communication, including the notion of a latent speaker horizon, is a promising direction for achieving more robust alignment outcomes from natural language supervision.
Role of the extracellular matrix in tissue‐specific gene expression in the sea urchin embryo (1991)

The role of extracellular matrix (ECM) in the differentiation of tissue types was examined in embryos of Strongylocentrotus purpuratus. We have examined the expression of various tissue-specific molecular markers after disrupting the ECM by culturing embryos in the presence of beta-aminoproprionitrile fumarate (BAPN), which disrupts collagen deposition, and beta-D-xyloside, which disrupts proteoglycan metabolism. The markers examined included accumulation of primary mesenchyme-specific mRNA (SM 50); an aboral ectoderm-specific mRNA (Spec 1); and a gut-specific enzyme, alkaline phosphatase. Treatment with BAPN or beta-D-xyloside results in developmental arrest at the mesenchyme blastula stage. Although spicule formation is inhibited, the accumulation of SM 50 transcripts and the synthesis of most of the prominent spicule matrix proteins is similar to that of control embryos. Spec 1 mRNA, in contrast, while accumulating to a significant extent when collagen and proteoglycan metabolism is disrupted, does accumulate to a level somewhat lower than that seen in control embryos. Additionally, the postgastrula rise in gut-specific alkaline phosphatase is reversibly inhibited by BAPN and xyloside treatment. These results demonstrate a differential effect of the ECM on expression of tissue-specific molecular markers.
Structural characterization of glycosphingolipids by direct chemical ionization mass spectrometry (1984)

This report describes the use of direct chemical ionization mass spectrometry with ammonia as the reagent gas (NH3-DCI) for structure analysis of underivatized, permethylated and permethylated and reduced glycosphingolipids. In contrast to ionization by electron impact, the NH3-DCI mass spectra exhibit intense molecular and carbohydrate sequence-related ions using microgram amounts of sample. Underivatized glycosphingolipids with up to two sugar residues yield abundant protonated and ammonia-cationized molecular ions and structurally significant fragments. Permethylation in conjunction with NH3-DCI can be used to obtain molecular weight as well as oligosaccharide sequence and branching information on neutral, acidic and complex-type glycosphingolipids with up to five sugar residues. Reduction of the permethylated derivatives gives rise to several new, structurally significant fragments in the corresponding NH3-DCI mass spectra which enable fatty acid and base compositions to be determined. Isotopically labeled reagent gases have been used to confirm the assignment of fragment structures and to demonstrate that the ions observed are unique to the NH3-DCI mass spectra.
Complexity, contradictions, and conundrums: studying post‐proteasomal proteolysis in HLA class I antigen presentation (2005)

The vast majority of the peptides produced during protein degradation by the cytosolic proteasome-ubiquitin system are consecutively hydrolyzed to single amino acids by multiple cytosolic peptidases preferring intermediate length or short substrates. The small fraction of peptides surviving the aggressive cytosolic environment can be recruited for presentation by major histocompatibility complex (MHC) class I molecules. However, such peptides may frequently have to be adapted to the strict MHC class I-binding requirements by one or several N-terminal-trimming steps. A recent model proposes that an initial step, in which peptides of 15 or more residues are shortened by cytosolic tripeptidylpeptidase II, is followed by additional trimming by cytosolic or endoplasmic reticulum (ER) aminopeptidases. In humans, at least two ER resident aminopeptidases, ERAP1 and ERAP2, contribute to trimming of human leukocyte antigen class I ligands. These interferon-gamma-regulated metallopeptidases show distinct substrate preferences and may have to act in a concerted fashion to remove some complex or longer N-terminal extensions and to trim the full spectrum of precursor peptides. This task is likely facilitated by the formation of presumably heterodimeric ERAP1-2 complexes. RNA interference experiments suggest that both enzymes are important for normal antigen presentation, but precise determination of the extent and the cellular context of their requirement will be left to future experimentation.
Coordination Lamellar Nanofibers Consisting of N-(2-Hydroxydodecyl)-substituted Amino Acid and Divalent Copper Cation (2014)

Abstract Lamellar nanoribbons consisting of 1:2 complexes of divalent copper and N-(2-hydroxydodecyl)-l-alanine (l-AlaC12OH) and related N-(2-hydroxydodecyl)-substituted amino acid were newly developed. When racemic ligand was used, the lamellar size showed shrinkage and the stability of the fibrous nanostructures were enhanced, reflecting the spontaneous effective mixing of l and d complexes to form supramolecular racemic compounds.
ON THE DISCRETIZATION OF DISTANCE GEOMETRY PROBLEMS (2013)

Distance geometry consists of finding an embedding of a weighted undirected graph in R n. Since some years, we are working on suitable discretizations forthis problem. Because of the discretization, the search domain is reduced froma continuous to a discrete set which has the structure of a tree. Based on this combinatorial structure, we developed an efficient branch-and-prune (BP) algorithm for the solution of distance geometry problems. In this paper, we focus on two important aspects of the discretization: the identification of suitable vertex discretizing orderings and the analysis of the symmetries that can be found in BP trees.