gebhart/patrepeval huggingface dataset:
Tunneling-electron-induced molecular luminescence from a nanoscale layer of organic molecules on metal substrates (2004)

Molecular luminescence from an ultrathin layer of free-base porphyrin molecules has been generated by a scanning tunneling microscope on top of a monolayer spacer of perinone derivatives on Cu(100). Tunneling-electron-induced fluorescence spectra are in good agreement with the conventional photoluminescence data of the molecule. The dominant molecular luminescence peak becomes clear and sharp for bias voltages above ∼2.1 V. The perinone monolayer does not emit light because of quenching effects; it acts as a buffer layer to enhance the decoupling of the electronic state of the porphyrin molecules from the Cu substrate. The molecular luminescence from porphyrin is attributed to the hot electron injection excitation. These results demonstrate the feasibility of electrically driven molecular luminescence on metal substrates by a nanoscale probe.
Inactivation of a Pseudomonas aeruginosa quorum-sensing signal by human airway epithelia (2004)

Mammalian airways protect themselves from bacterial infection by using multiple defense mechanisms including antimicrobial peptides, mucociliary clearance, and phagocytic cells. We asked whether airways might also target a key bacterial cell-cell communication system, quorum-sensing. The opportunistic pathogen Pseudomonas aeruginosa uses two quorum-sensing molecules, N-(3-oxododecanoyl)-l-homoserine lactone (3OC12-HSL) and N-butanoyl-l-homoserine lactone (C4-HSL), to control production of extracellular virulence factors and biofilm formation. We found that differentiated human airway epithelia inactivated 3OC12-HSL. Inactivation was selective for acyl-HSLs with certain acyl side chains, and C4-HSL was not inactivated. In addition, the capacity for inactivation varied widely in different cell types. 3OC12-HSL was inactivated by a cell-associated activity rather than a secreted factor. These data suggest that the ability of human airway epithelia to inactivate quorum-sensing signal molecules could play a role in the innate defense against bacterial infection.
A Modified Approach to 2-(N-Aryl)-1,3-oxazoles:  Application to the Synthesis of the IMPDH Inhibitor BMS-337197 and Analogues (2002)

[structure: see text] A modified approach to the synthesis of 2-(N-aryl)-1,3-oxazoles, employing an optimized iminophosphorane/heterocumulene-mediated methodology, and its application to the synthesis of BMS-337197, a potent inhibitor of IMPDH, are described.
A D-2-Hydroxyglutarate dehydrogenase mutant reveals a critical role for ketone body metabolism in Caenorhabditis elegans development (2022)

SUMMARY In humans, mutations in D-2-hydroxyglutarate (D-2HG) dehydrogenase (D2HGDH) result in D-2HG accumulation, delayed development, seizures, and ataxia. While the mechanisms of 2HG-associated diseases have been studied extensively, the endogenous metabolism of D-2HG remains unclear in any organism. Here, we find that, in Caenorhabditis elegans , D-2HG is produced in the propionate shunt, which is transcriptionally activated when flux through the canonical, vitamin B12-dependent propionate breakdown pathway is perturbed. Deletion of the D2HGDH ortholog, dhgd-1 , results in embryonic lethality, mitochondrial defects, and the upregulation of ketone body metabolism genes. Viability can be rescued by RNAi of hphd-1 , which encodes the enzyme that produces D-2HG, or by supplementing either vitamin B12 or the ketone body 3-hydroxybutyrate (3HB). Altogether, our findings support a model in which C. elegans relies on ketone bodies for energy when vitamin B12 levels are low, and in which a loss of dhgd-1 causes lethality by limiting ketone body production. HIGHLIGHTS - D-2-hydroxyglutarate is produced by HPHD-1 in the propionate shunt pathway - DHGD-1 recycles 2-hydroxyglutarate to sustain flux through the propionate shunt - dhgd-1 loss perturbs ketone body metabolism and causes embryonic lethality - 3-Hydroxybutyrate, vitamin B12 or hphd-1 RNAi rescue dhgd-1 mutant lethality
Acute Kidney Injury and In-Hospital Mortality after Coronary Artery Bypass Graft versus Percutaneous Coronary Intervention: A Nationwide Study (2017)

Patients undergoing CABG are associated with (1) increased risk of developing post-procedural AKI, (2) higher likelihood of receiving RRT, and (3) worse short-term survival. Long-term renal outcome remains to be studied.
Superconductivity in noncentrosymmetric ternary equiatomic pnictides LaMP(M= Ir and Rh;P= P and As) (2014)

We report bulk superconductivity of ternary equiatomic pnictides LaMP ($M$ = Ir and Rh; P = P and As) along with the crystal structure and physical properties (resistivity, magnetization, and heat capacity). It crystallized in a noncentrosymmetric structure type (space group $I$4${}_{1}$md, $Z$ = 4), which is an ordered ternary derivative of the centrosymmetric \ensuremath{\alpha}-ThSi${}_{2}$ structure. Three ternary pnictides showed superconductivity at low temperatures, and the highest critical temperature, ${T}_{c}$ = 5.3 K, was observed for LaIrP. The experimental and density functional calculations results suggested that LaMP could be categorized as a Bardeen--Cooper--Schrieffer superconductor with intermediate coupling. Considering the similar Sommerfeld value and Debye temperature, the differences in ${T}_{c}$ were attributed to the difference in the electron-phonon coupling strength in the compounds.
Stable, small, specific, low-valency quantum dots for single-molecule imaging (2018)

We have developed a strategy for synthesizing immediately activable, water-soluble, compact (∼10-12 nm hydrodynamic diameter) quantum dots with a small number of stable and controllable conjugation handles for long distance delivery and subsequent biomolecule conjugation. Upon covalent conjugation with engineered monovalent streptavidin, the sample results in a population consisting of low-valency quantum dots. Alternatively, we have synthesized quantum dots with a small number of biotin molecules that can self-assemble with engineered divalent streptavidin via high-affinity biotin-streptavidin interactions. Being compact, stable and highly specific against biotinylated proteins of interest, these low-valency quantum dots are ideal for labeling and tracking single molecules on the cell surface with high spatiotemporal resolution for different biological systems and applications.
Diversity Backpressure Scheduling and Routing with Mutual Information Accumulation in Wireless Ad-hoc Networks (2013)

We suggest and analyze algorithms for routing in multi-hop wireless ad-hoc networks that exploit mutual information accumulation as the physical layer transmission scheme, and are capable of routing multiple packet streams (commodities) when only the average channel state information is present and that only locally. The proposed algorithms are modifications of the Diversity Backpressure (DIVBAR) algorithm, under which the packet whose commodity has the largest "backpressure metric" is chosen to be transmitted and is forwarded through the link with the largest differential backlog (queue length). In contrast to traditional DIVBAR, each receiving node stores and accumulates the partially received packet in a separate "partial packet queue", thus increasing the probability of successful reception during a later possible retransmission. We present two variants of the algorithm: DIVBAR-RMIA, under which all the receiving nodes clear the received partial information of a packet once one or more receiving nodes firstly decode the packet; and DIVBAR-MIA, under which all the receiving nodes retain the partial information of a packet until the packet has reached its destination. We characterize the network capacity region with RMIA and prove that (under certain mild conditions) it is strictly larger than the network capacity region with the repetition (REP) transmission scheme that is used by the traditional DIVBAR. We also prove that DIVBAR-RMIA is throughput-optimum among the polices with RMIA, i.e., it achieves the network capacity region with RMIA, which in turn demonstrates that DIVBAR-RMIA outperforms traditional DIVBAR on the achievable throughput. Moreover, we prove that DIVBAR-MIA performs at least as well as DIVBAR-RMIA with respect to throughput. Simulations also confirm these results.
Metamer mismatch volumes using spherical sampling (2017)

n this article, we propose a fast and precise method of calculating a theoretically maximum metamer mismatch volume. Unlike earlier proposed techniques, our method does not use any assumptions on the shape of spectra on the boundary of the mismatch volume. The method utilises a spherical sampling approach and a linear programming optimisation. Experiments described in this paper show that under certain conditions the theoretically maximum metamer mismatch volume is significantly larger than the one approximated using previous method that makes assumptions about the shape of the spectra.
Gβγ directly modulates vesicle fusion by competing with synaptotagmin for binding to neuronal SNARE proteins embedded in membranes (2017)

G<sub>i/o</sub>-coupled G protein-coupled receptors can inhibit neurotransmitter release at synapses via multiple mechanisms. In addition to Gβγ-mediated modulation of voltage-gated calcium channels (VGCC), inhibition can also be mediated through the direct interaction of Gβγ subunits with the soluble <i>N</i>-ethylmaleimide attachment protein receptor (SNARE) complex of the vesicle fusion apparatus. Binding studies with soluble SNARE complexes have shown that Gβγ binds to both ternary SNARE complexes, t-SNARE heterodimers, and monomeric SNAREs, competing with synaptotagmin 1(syt1) for binding sites on t-SNARE. However, in secretory cells, Gβγ, SNAREs, and synaptotagmin interact in the lipid environment of a vesicle at the plasma membrane. To approximate this environment, we show that fluorescently labeled Gβγ interacts specifically with lipid-embedded t-SNAREs consisting of full-length syntaxin 1 and SNAP-25B at the membrane, as measured by fluorescence polarization. Fluorescently labeled syt1 undergoes competition with Gβγ for SNARE-binding sites in lipid environments. Mutant Gβγ subunits that were previously shown to be more efficacious at inhibiting Ca<sup>2+</sup>-triggered exocytotic release than wild-type Gβγ were also shown to bind SNAREs at a higher affinity than wild type in a lipid environment. These mutant Gβγ subunits were unable to inhibit VGCC currents. Specific peptides corresponding to regions on Gβ and Gγ shown to be important for the interaction disrupt the interaction in a concentration-dependent manner. In <i>in vitro</i> fusion assays using full-length t- and v-SNAREs embedded in liposomes, Gβγ inhibited Ca<sup>2+</sup>/synaptotagmin-dependent fusion. Together, these studies demonstrate the importance of these regions for the Gβγ-SNARE interaction and show that the target of Gβγ, downstream of VGCC, is the membrane-embedded SNARE complex.
Passive Integrated Athermal (De) Multiplexers on 300 mm Silicon Photonics Wafers (2023)

We demonstrate passive integrated athermal (de)multiplexers showing near 0 pm/°C wavelength shift from 20 to 80 °C on 300 mm silicon photonics wafers. Waferscale data shows its high fabrication tolerance for next-generation optical transceiver systems.
Synthesis, Properties, and Electronic Applications of Size-Controlled Poly(3-hexylthiophene) Nanoparticles (2010)

Semiconducting polymer nanoparticles have attracted increasing interest for the facile fabrication of organic electronic devices. These nanoparticles could provide the ability to control thin film morphology independently of optical and electronic properties. Using poly(3-hexylthiophene), we demonstrate surfactant-free synthesis and characterization of size-controlled, semicrystalline polymer nanoparticles. Our method produces discrete nanoparticles that can be deposited from solution into thin films. By controlling the molecular weight, polydispersity, and regioregularity of the polymer as well as varying its initial solution concentration, we tune both the size and crystallinity of the resulting nanoparticles. Organic field effect transistors (OFETs) using nanoparticles made from this method produce good semiconducting devices with hole mobilities on the order of 10(-3) cm(2)/(V s). This approach to forming polymer nanoparticles is attractive for the introduction of solution-processable, well-characterized nanoscale crystalline domains of a variety of conjugated polymers and should be useful for the fabrication and optimization of organic electronic devices.
Staphylococcal Enterotoxin is a Bovine T Cell Superantigen (1995)

Different isoforms of soluble staphylococcal enterotoxins (SE): SEB, SEC-1 and SEC-2, were shown to stimulate bovine T cell proliferation, expression of cytokine messages, and IgG production. Intact metabolic function of APC was not required since peripheral blood mononuclear cells (PBMC), UV-irradiated prior to or following incubation with SE, were both capable of presenting SE, while PBMC treated with MAbs against MHC II lost the ability to stimulate T cell proliferation. SE caused approximately two fold increase of CD4+, and CD8+ T cells, but not MHC II+ APC or B cells. This model system suggests that SE transduces not only T cell activation signal, but also a non-proliferative signal for primary B cells to produce polyclonal IgG. We hypothesize that enterotoxin virulence may be in part due to its effect on activating the immune system.
Combined Delivery of Bone Marrow‐Derived Mononuclear Cells in Chronic Ischemic Heart Disease: Rationale and Study Design (2013)

As cell delivery may play an important role in chronic IHD, we aim to demonstrate feasibility and efficacy of a combined cell-delivery approach in patients with decreased LV function.
A functional assay to identify amyloidogenic light chains (2018)

The assay accurately discriminated AL from MM patient populations, suggesting that it may aid in the identification of patients with monoclonal gammopathies who have an increased risk of developing amyloidosis.
A Comprehensive Overview of the Risks and Benefits of Coffee Consumption (2016)

Findings on both the health benefits and the potentially harmful effects of coffee consumption have been contradictory. However, the general scientific consensus is that moderate, regular coffee drinking by healthy individuals is either essentially benign or mildly beneficial. Results and generalizations are complicated by a number of factors, including differences in age, gender, health status, type of coffee preparation, serving size, and source of coffee. Coffee may have potential health benefits and risks, but causality cannot be established for either with the research currently available as these are largely based on observational data. This review aimed to provide a comprehensive overview of the risks and benefits of coffee consumption on health outcomes. A systematic search (search terms: "coffee" OR "coffee adj3" [consum* or intake* or drink*]) of the literature (from 1970; humans; in English) using the electronic databases "OVID," "CINAHL," and "Web of Knowledge" returned 12405 results. Duplicates were removed, studies were screened (based on inclusion/exclusion criteria), and the remaining eligible studies (n = 1277) were used to collate an exhaustive list of the potential health benefits and risks of coffee consumption, which were grouped and are discussed with regard to major diseases/conditions (mortality, cardiovascular disease, cancer, and metabolic/liver/neurological disorders), at-risk/vulnerable groups, and specific coffee constituents. This qualitative assessment has shown that the health benefits (or null effects) clearly outweigh the risks of moderate coffee consumption in adult consumers for the majority of health outcomes considered. Results from this research may aid further qualitative and quantitative deterministic risk-benefit assessments of coffee consumption.
Guest Editorial (2020)

Welcome to the first issue of the Journal on Selected Areas in Information Theory (JSAIT) focusing on Deep Learning: Mathematical Foundations and Applications to Information Science.
Supplementary Figure 2 from Enhanced Cancer Radiotherapy through Immunosuppressive Stromal Cell Destruction in Tumors (2023)

&lt;p&gt;PDF file - 723K, Immune mediated long-term tumor protection experiment.&lt;/p&gt;
Direct Measurements of Unimolecular Radical Kinetics Employing Ultrafast Radical Rearrangements as Reporters (1996)

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTDirect Measurements of Unimolecular Radical Kinetics Employing Ultrafast Radical Rearrangements as ReportersMartin Newcomb, Noriko Tanaka, Anne Bouvier, Christopher Tronche, John H. Horner, Osama M. Musa, and Felix N. MartinezView Author Information Department of Chemistry, Wayne State University Detroit, Michigan 48202-3489 Cite this: J. Am. Chem. Soc. 1996, 118, 35, 8505–8506Publication Date (Web):September 4, 1996Publication History Received14 May 1996Published online4 September 1996Published inissue 1 January 1996https://pubs.acs.org/doi/10.1021/ja961615shttps://doi.org/10.1021/ja961615srapid-communicationACS PublicationsCopyright © 1996 American Chemical SocietyRequest reuse permissionsArticle Views404Altmetric-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 optionsGet e-AlertscloseSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Cyclization,Kinetic parameters,Kinetics,Lithium iron phosphate,Rearrangement Get e-Alerts
Heterobivalent Ligands Crosslink Multiple Cell‐Surface Receptors: The Human Melanocortin‐4 and δ‐Opioid Receptors (2008)

Gemeinsame Anbindung: Eine Reihe synthetischer heterodivalenter Liganden aus einem Fragment des melanozytenstimulierenden Hormonanalogons MSH(7) und dem δ-Opioidligand Deltorphin-II wurde synthetisiert. Diese Liganden binden mit gesteigerter Affinität und offenbar kooperativ an Zellen, die sowohl hMC4R als auch δ-Opioidrezeptoren exprimieren. Die Bindungsaffinitäten wurden in den Zellen mit einem zeitauflösenden Lanthanoidfluoreszenz-Bindungsassay bestimmt. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2008/z702770_s.pdf or from the author. 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.
Polar molecules catalyze CO insertion into metal-alkyl bonds through the displacement of an agostic C-H bond (2019)

The insertion of CO into metal-alkyl bonds is the key C-C bond-forming step in many of the most important organic reactions catalyzed by transition metal complexes. Polar organic molecules (e.g., tetrahydrofuran) have long been known to promote CO insertion reactions, but the mechanism of their action has been the subject of unresolved speculation for over five decades. Comprehensive computational studies [density functional theory (DFT)] on the prototypical system Mn(CO)<sub>5</sub>(arylmethyl) reveal that the polar molecules do not promote the actual alkyl migration step. Instead, CO insertion (i.e. alkyl migration) occurs rapidly and reversibly to give an acyl complex with a sigma-bound (agostic) C-H bond that is not easily displaced by typical ligands (e.g. phosphines or CO). The agostic C-H bond is displaced much more readily, however, by the polar promoter molecules, even though such species bind only weakly to the metal center and are themselves then easily displaced; the facile kinetics of this process are attributable to a hydrogen bonding-like interaction between the agostic C-H bond and the polar promoter. The role of the promoter is to thereby catalyze isomerization of the agostic product of CO insertion to give an [Formula: see text]-C,O-bound acyl product that is more easily trapped than the agostic species. This ability of such promoters to displace a strongly sigma-bound C-H bond and to subsequently undergo facile displacement themselves is without reported precedent, and could have implications for catalytic reactions beyond carbonylation.
Integrated Semantic–Syntactic Video Modeling for Search and Browsing (2004)

Video processing and computer vision communities usually employ shot-based or object-based structural video models and associate low-level (color, texture, shape, and motion) and semantic descriptions (textual annotations) with these structural (syntactic) elements. Database and information retrieval communities, on the other hand, employ entity-relation or object-oriented models to model the semantics of multimedia documents. This paper proposes a new generic integrated semantic-syntactic video model to include all of these elements within a single framework to enable structured video search and browsing combining textual and low-level descriptors. The proposed model includes semantic entities (video objects and events) and the relations between them. We introduce a new "actor" entity to enable grouping of object roles in specific events. This context-dependent classification of attributes of an object allows for more efficient browsing and retrieval. The model also allows for decomposition of events into elementary motion units and elementary reaction/interaction units in order to access mid-level semantics and low-level video features. The instantiations of the model are expressed as graphs. Users can formulate flexible queries that can be translated into such graphs. Alternatively, users can input query graphs by editing an abstract model (model template). Search and retrieval is accomplished by matching the query graph with those instantiated models in the database. Examples and experimental results are provided to demonstrate the effectiveness of the proposed integrated modeling and querying framework.
Photonic technologies for autonomous cars: feature introduction (2019)

Photonic technologies that support the low cost manufacturing needed for automotive sensors have experienced explosive developments in recent years. To date most commercially available lidar system have been direct detection time-of-flight (ToF) sensors operating at 905 nm using mechanical mirrors for beam steering. However, these sensors suffer from important drawbacks. One issue is eye-safety, which limits maximum laser powers and hence operating range. Direct detection systems must also content with potential interference issues when lots of cars operate lidar systems simultaneously. In addition, mechanical scanners are frequently bulky and may be difficult to integrate within the form factors allowed by modern vehicles.