gebhart/patrepeval huggingface dataset:
Heteroleptic Cyclometalated Iridium(III) Complexes Displaying Blue Phosphorescence in Solution and Solid State at Room Temperature (2005)

A series of heteroleptic Ir(III) metal complexes 1-3 bearing two N-phenyl-substituted pyrazoles and one 2-pyridyl pyrazole (or triazole) ligands were synthesized and characterized to attain highly efficient, room-temperature blue phosphorescence. The N-phenylpyrazole ligands, dfpzH = 1-(2,4-difluorophenyl)pyrazole, fpzH = 1-(4-fluorophenyl)pyrazole, dfmpzH = 1-(2,4-difluorophenyl)-3,5-dimethylpyrazole, and fmpzH = 1-(4-fluorophenyl)-3,5-dimethylpyrazole, show a similar reaction pattern with respect to the typical cyclometalated (C(wedge)N) chelate, which utilizes its ortho-substituted phenyl segment to link with the central Ir(III) atom, while the second 2-pyridylpyrazole (or triazole) ligand, namely, fppzH = 3-(trifluoromethyl)-5-(2-pyridyl)pyrazole, fptzH = 3-(trifluoromethyl)-5-(2-pyridyl)triazole, and hptzH = 3-(heptafluoropropyl)-5-(2-pyridyl)triazole, undergoes typical anionic (N--N) chelation to complete the octahedral framework. X-ray structural analyses on complexes [(dfpz)(2)Ir(fppz)] (1a) and [(fmpz)(2)Ir(hptz)] (3d) were established to confirm their molecular structures. Increases of the pipi energy gaps of the Ir(III) metal complexes were systematically achieved with two tuning strategies. One involves the substitution for one or two fluorine atoms at the N-phenyl segment or the introduction of two electron-releasing methyl substituents at the pyrazole segment of the H(C--N) ligands. Alternatively, we have applied the more electron-accepting triazolate in place of the pyrazolate segment for the third (N--N)H ligand. Our results, on the basis of steady-state, relaxation dynamics, and theoretical approaches, lead to a conclusion that, for complexes 1-3, the weakening of iridium metal-ligand bonding strength in the T(1) state plays a crucial role for the fast radiationless deactivation. For the case of [(fmpz)(2)Ir(hptz)] (3d), a thermal deactivation barrier of 4.8 kcal/mol was further deduced via temperature-dependent studies. The results provide a theoretical basis for future design and synthesis of the corresponding analogues suited to blue phosphorescent emitters.
Simian Immunodeficiency Virus Persistence in Cellular and Anatomic Reservoirs in Antiretroviral Therapy-Suppressed Infant Rhesus Macaques (2018)

Worldwide, nearly two million children are infected with human immunodeficiency virus (HIV), with breastfeeding accounting for the majority of contemporary HIV transmissions. Antiretroviral therapy (ART) has reduced HIV-related morbidity and mortality but is not curative. The main barrier to a cure is persistence of latent HIV in long-lived reservoirs. However, our understanding of the cellular and anatomic sources of the HIV reservoir during infancy and childhood is limited. Here, we developed a pediatric model of ART suppression in orally simian immunodeficiency virus (SIV)-infected rhesus macaque (RM) infants, with measurement of virus persistence in blood and tissues after 6 to 9 months of ART. Cross-sectional analyses were conducted to compare SIV RNA and DNA levels in adult and infant RMs naive to treatment and on ART. We demonstrate efficient viral suppression following ART initiation in SIV-infected RM infants with sustained undetectable plasma viral loads in the setting of heterogeneous penetration of ART into lymphoid and gastrointestinal tissues and low drug levels in the brain. We further show reduction in SIV RNA and DNA on ART in lymphoid tissues of both infant and adult RMs but stable (albeit low) levels of SIV RNA and DNA in the brains of viremic and ART-suppressed infants. Finally, we report a large contribution of naive CD4<sup>+</sup> T cells to the total CD4 reservoir of SIV in blood and lymph nodes of ART-suppressed RM infants that differs from what we show in adults. These results reveal important aspects of HIV/SIV persistence in infants and provide insight into strategic targets for cure interventions in a pediatric population.<b>IMPORTANCE</b> While antiretroviral therapy (ART) can reduce HIV replication, the virus cannot be eradicated from an infected individual, and our incomplete understanding of HIV persistence in reservoirs greatly complicates the generation of a cure for HIV infection. Given the immaturity of the infant immune system, it is critically important to study HIV reservoirs specifically in this population. Here, we established a pediatric animal model to simulate breastfeeding transmission and study SIV reservoirs in rhesus macaque (RM) infants. Our study demonstrates that ART can be safely administered to infant RMs for prolonged periods and that it efficiently controls viral replication in this model. SIV persistence was shown in blood and tissues, with similar anatomic distributions of SIV reservoirs in infant and adult RMs. However, in the peripheral blood and lymph nodes, a greater contribution of the naive CD4<sup>+</sup> T cells to the SIV reservoir was observed in infants than in adults.
RL-AFEC (2022)

Real-time video communication is profoundly changing people's lives, especially in today's pandemic situation. However, packet loss during video transmission degrades reconstructed video quality, thus impairing users' Quality of Experience (QoE). Forward Error Correction (FEC) techniques are commonly employed in today's audio and video conferencing applications, such as Skype and Zoom, to mitigate the impact of packet loss. FEC helps recover the lost packets during transmissions at the receiver side, but the additional bandwidth consumption is also a concern. Since network conditions are highly dynamic, it is not trivial for FEC to maintain video quality with a fixed bandwidth overhead. In this paper, we propose RL-AFEC, an adaptive FEC scheme based on Reinforcement Learning (RL) to improve reconstructed video quality with an aim to mitigate bandwidth consumption for different network conditions. RL-AFEC learns to select a proper redundancy rate for each video frame, and then adds redundant packets based on the frame-level Reed-Solomon (RS) code. We also implement a novel packet-level Video Quality Assessment (VQA) method based on Video Multimethod Assessment Fusion (VMAF), which leverages Supervised Learning (SL) to generate video quality scores in real time by only extracting information from the packet stream without the need of visual contents. Extensive evaluations demonstrate the superiority of our scheme over other baseline FEC methods.
Quantitation of RT-PCR products of bFGF-mRNA by capillary electrophoresis and laser-induced fluorescence. (1998)

The numerous challenges of modern biology and medical science require the development of analytical methodologies of extreme sensitivity and resolving power. Because it deals with the extraordinary complexity of biological mixtures and minute samples, capillary electrophoresis combined with laser-induced fluorescence (LIF) is now one of the most popular analytical biotechniques. Using polymer matrices and very high voltages, it allows the separation of very low quantities of microsamples and the selective detection of fluorescent species at a level of a few thousand molecules. This method of analysis has been used to quantitate reverse transcription-polymerase chain reaction (RT-PCR) products. In the authors' laboratory, they were looking for a means of analyzing mRNAs of cytokines. In the first attempt, they chose to quantitate RT-PCR products of basic fibroblast growth factor (bFGF)-mRNA, which could be involved in atherosclerosis. The results on two patients confirm the lower quantity of bFGF expressed in internal mammary athery (IMA) biopsies compared to human aortic cells. This study shows the usefulness of CE-LIF to identify and quantitate RT-PCR products and its ability to be used in clinical studies, to find very low levels of bFGF expression in atheroma biopsies.
Measuring strain and stress distributions along rebar embedded in concrete using time-of-flight neutron diffraction (2014)

In modern society, architectural and civil engineering structures such as reinforced concrete buildings require high seismic performance to minimize the 'megarisk' exposed from urban earthquake hazards. In the reinforced concrete structures, the bond resistance between rebar and concrete is one important parameter for discussing its performance and it has been typically evaluated by measuring the strain distribution along the embedded rebar. Here, we present in-situ strain and stress measurements for the rebar in reinforced concrete using time-of-flight neutron diffraction as a novel alternative technique to typical strain gauges. It was demonstrated in this study that the three-dimensional deformation behavior of the embedded rebar in normal-strength concrete, cured in air, can be accurately measured under pull-out loading using time-of-flight neutron diffraction. Wider applications of neutron diffraction in the structural engineering field are expected for advanced understanding of actual phenomena on reinforced concrete structures.
Treatment of Vehicle Emissions from the Combustion of E85 and Gasoline with Catalyzed Hydrocarbon Traps (2009)

&lt;div class="htmlview paragraph"&gt;Ethanol has been gaining attention as a partial substitute in North American pump gasoline in amounts up to 85% ethanol and 15% gasoline, or what is commonly known as “E85”. The problems with E85 fuel for cold start emissions relative to gasoline fuel are the lower energy density and vapor pressure for combustion. Each contributes to excess E85 fuel injected during cold start for comparable combustion quality and drivability to gasoline. The excess emissions occur before the first three-way catalyst (TWC) converter is warmed-up and active for engine-out exhaust conversion. The treatment of non-methane organic gas (NMOG) emissions from the combustion of E85 and gasoline was evaluated using several different zeolite based hydrocarbon (HC) traps coated with different precious metal loadings and ratios. These catalyzed HC traps were evaluated in a flow reactor and also on a gasoline Partial Zero Emissions Vehicle (PZEV) with experimental flexible fuel capability. Fourier Transform Infra Red (FTIR) spectroscopy and other methods were used to analyze the alcohols, aldehydes and ketones necessary to quantify NMOG emissions. HC trap performance was quantified through measurement of adsorption and desorption of specific hydrocarbon species, and formation of CO&lt;sub&gt;2&lt;/sub&gt; and partial combustion products. Temperature data was used to quantify where specific hydrocarbon species desorbed in relation to catalyst activation. The traps evaluated in the lab reactor all showed similar adsorption efficiencies, and the traps with platinum catalyst generated the most CO&lt;sub&gt;2&lt;/sub&gt;, but also the most acetaldehyde. The HC traps evaluated on the vehicle with E85 improved the weighted tailpipe emissions of NMOG from the base TWC results of 0.016 grams/mile down to 0.013 grams/mile. The results illustrate the challenges of adsorbing NMOG emissions, retaining it for conversion and achieving complete oxidation, with the overall system efficiency reflecting the combination of these efficiencies.&lt;/div&gt;
ChemInform Abstract: New Route for the Synthesis of Benzimidazoles by a One-Pot Multistep Process with Mono and Bifunctional Solid Catalysts. (2010)

International audience
Gel Electrophoresis Assays for Analyzing DNA Double-Strand Breaks in Saccharomyces cerevisiae at Various Spatial Resolutions (2009)

Meiotic recombination is triggered by programmed DNA double-strand breaks (DSBs), which are catalyzed by Spo11 protein in a type II topoisomerase-like manner. Meiotic DSBs can be detected directly using physical assays (gel electrophoresis, Southern blotting, and indirect end-labeling) applied to samples of genomic DNA from sporulating cultures of budding and fission yeast. Such assays are extremely useful for quantifying and characterizing many aspects of the initiation of meiotic recombination, including the timing of DSB formation relative to other events, the distribution of DSBs across the genome, and the influence on DSB formation of mutations in recombination factors and other gene products. By varying the type of gel electrophoresis and other parameters, the spatial resolution of DSB analysis can range from single nucleotides up to whole yeast chromosomes.
Real-time visualization and interaction with static and live optical coherence tomography volumes in immersive virtual reality (2018)

Virtual reality (VR) head-mounted displays are an attractive technology for viewing intrasurgical optical coherence tomography (OCT) volumes because they liberate surgeons from microscope oculars. We demonstrate real-time, interactive viewing of OCT volumes in a commercial HTC Vive immersive VR system using previously reported ray casting techniques. Furthermore, we show interactive manipulation and sectioning of volumes using handheld controllers and guidance of mock surgical procedures in porcine eyes exclusively within VR. To the best of our knowledge, we report the first immersive VR-OCT viewer with stereo ray casting volumetric renders, arbitrary sectioning planes, and live acquisition support. We believe VR-OCT volume displays will advance ophthalmic surgery towards VR-integrated surgery.
Ruthenium‐Catalyzed Synthesis of Cyclic and Linear Acetals by the Combined Utilization of CO2, H2, and Biomass Derived Diols (2019)

Herein a transition-metal catalyst system for the selective synthesis of cyclic and linear acetals from the combined utilization of carbon dioxide, molecular hydrogen, and biomass derived diols is presented. Detailed investigations on the substrate scope enabled the selectivity of the reaction to be largely guided and demonstrated the possibility of integrating a broad variety of substrate molecules. This approach allowed a change between the favored formation of cyclic acetals and linear acetals, originating from the bridging of two diols with a carbon-dioxide based methylene unit. This new synthesis option paves the way to novel fuels, solvents, or polymer building blocks, by the recently established "bio-hybrid" approach of integrating renewable energy, carbon dioxide, and biomass in a direct catalytic transformation.
Potential of Polyphosphazenes in Modulating Vaccine‐Induced Immune Responses: I. Investigations in Mice (2008)

This chapter contains sections titled: Introduction Materials and Methods Results Discussion References
Direct Observation of Anharmonic Coupling in the Time Domain with Femtosecond Stimulated Raman Scattering (2006)

Off-resonant impulsive Raman excitation is used to initiate nonstationary nuclear motion in low-frequency vibrational modes of deuterio-chloroform. Femtosecond time-resolved stimulated Raman probing of the high-frequency C-D stretch reveals additional vibrational sidebands that arise as a result of anharmonic coupling between the impulsively excited low-frequency and the probed high-frequency vibrations. These experiments illustrate the detailed molecular information on anharmonic and reactive surfaces available from multidimensional femtosecond stimulated Raman techniques.
Fast online‐customized (FOCUS) parallel transmission pulses: A combination of universal pulses and individual optimization (2021)

UPs can be used to generate fast online-customized (FOCUS) pulses gaining lower NRMSE and/or lower SAR values.
Chromosome 11‐q24 region in Tourette syndrome: Association and linkage disequilibrium study in the French Canadian population (2005)

Previous studies have found association and linkage between Tourette syndrome (TS) and markers at the 11q24 region, mainly with markers D11S1377 and D11S933. In order to determine if these positive findings could be replicated in our sample, we undertook a family-based association study in 199 French Canadian TS nuclear families. We genotyped 572 individuals from 174 complete and 25 incomplete TS trios. TDT analysis failed to detect an association between TS and six markers from 11q24. Furthermore, no haplotype combining alleles from D11S1377, D11S933, or any of the other four markers was associated with the disorder. Linkage disequilibrium analysis showed evidence of historical recombination between every contiguous pair of markers, indicating that these genetic variants are probably in equilibrium in the French Canadian population. Further analysis in additional families, with different methodologies (linkage and association) will be required in order to determine if the 11q24 region harbors a susceptibility locus for TS. If it does, this defect may not be frequent in the French Canadian population due to locus heterogeneity.
Super resolution imaging of supramolecular biomaterials: Shining a light on biomaterials in vitro and in cells (2016)

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Artificial Intelligence for Modeling Complex Systems: Taming the Complexity of Expert Models to Improve Decision Making (2021)

Major societal and environmental challenges involve complex systems that have diverse multi-scale interacting processes. Consider, for example, how droughts and water reserves affect crop production and how agriculture and industrial needs affect water quality and availability. Preventive measures, such as delaying planting dates and adopting new agricultural practices in response to changing weather patterns, can reduce the damage caused by natural processes. Understanding how these natural and human processes affect one another allows forecasting the effects of undesirable situations and study interventions to take preventive measures. For many of these processes, there are expert models that incorporate state-of-the-art theories and knowledge to quantify a system's response to a diversity of conditions. A major challenge for efficient modeling is the diversity of modeling approaches across disciplines and the wide variety of data sources available only in formats that require complex conversions. Using expert models for particular problems requires integration of models with third-party data as well as integration of models across disciplines. Modelers face significant heterogeneity that requires resolving semantic, spatiotemporal, and execution mismatches, which are largely done by hand today and may take more than 2 years of effort. We are developing a modeling framework that uses artificial intelligence (AI) techniques to reduce modeling effort while ensuring utility for decision making. Our work to date makes several innovative contributions: (1) an intelligent user interface that guides analysts to frame their modeling problem and assists them by suggesting relevant choices and automating steps along the way; (2) semantic metadata for models, including their modeling variables and constraints, that ensures model relevance and proper use for a given decision-making problem; and (3) semantic representations of datasets in terms of modeling variables that enable automated data selection and data transformations. This framework is implemented in the MINT (Model INTegration) framework, and currently includes data and models to analyze the interactions between natural and human systems involving climate, water availability, agricultural production, and markets. Our work to date demonstrates the utility of AI techniques to accelerate modeling to support decision-making and uncovers several challenging directions for future work.
A Metal−Organic Framework Containing Cationic Inorganic Layers:  Pb2F2[C2H4(SO3)2] (2007)

We have discovered a metal−organic framework containing cationic inorganic layers. The metal fluoride−organodisulfonate structure, Pb2F2[C2H4(SO3)2], was synthesized hydrothermally. The lead fluoride cationic layers are covalently connected by 1,2-ethanedisulfonate chains oriented perpendicular to the layers. The material is thermally stable to ca. 325 °C, above which the material collapses to phase-pure α-PbF2. This material is a rare example of the use of organosulfonates as organic linker and the first metal−organic framework to contain lead fluoride connectivity. The existence of extended cationic inorganic moieties embedded within a metal−organic framework material further diversifies the possible structure types of this rapidly growing class of materials.
Targeting the GPIbα Binding Site of Thrombin To Simultaneously Induce Dual Anticoagulant and Antiplatelet Effects (2014)

Exosite 2 of human thrombin contributes to two opposing pathways, the anticoagulant pathway and the platelet aggregation pathway. We reasoned that an exosite 2 directed allosteric thrombin inhibitor should simultaneously induce anticoagulant and antiplatelet effects. To assess this, we synthesized SbO4L based on the sulfated tyrosine-containing sequence of GPIbα. SbO4L was synthesized in three simple steps in high yield and found to be a highly selective, direct inhibitor of thrombin. Michelis-Menten kinetic studies indicated a noncompetitive mechanism of inhibition. Competitive inhibition studies suggested ideal competition with heparin and glycoprotein Ibα, as predicted. Studies with site-directed mutants of thrombin indicated that SbO4L binds to Arg233, Lys235, and Lys236 of exosite 2. SbO4L prevented thrombin-mediated platelet activation and aggregation as expected on the basis of competition with GPIbα. SbO4L presents a novel paradigm of simultaneous dual anticoagulant and antiplatelet effects achieved through the GPIbα binding site of thrombin.
Feasibility of a Thrust Control Mechanism by Regulating the Flow at the Engine (2022)

Abstract: This work is focused on performance analysis of a turbojet engine with an inlet flow control mechanism for same thrust values. Developed a real-time turbojet engine integrating aerothermodynamics of engine components, principles of jet propulsion and inter component volume dynamics represented in 1-D non-linear unsteady equations. Performance parameters of the engine are analyzed with the increase in compressor pressure ratio. Specific fuel consumption, specific thrust, component pressure ratios, thermal and propulsive efficiencies are the performance parameters of the engine that are analyzed on the model with reduced inlet pressure. All simulations will be done on MATLAB Tool.
Perception survey of crisis and emergency risk communication in an acute hospital in the management of COVID-19 pandemic in Singapore (2020)

CERC is relevant and important in the hospital setting to managing COVID-19 and should be considered concurrently with hospital emergency response domains.
Memtrade: Marketplace for Disaggregated Memory Clouds (2023)

We present Memtrade, the first practical marketplace for disaggregated memory clouds. Clouds introduce a set of unique challenges for resource disaggregation across different tenants, including resource harvesting, isolation, and matching. Memtrade allows producer virtual machines (VMs) to lease both their unallocated memory and allocated-but-idle application memory to remote consumer VMs for a limited period of time. Memtrade does not require any modifications to host-level system software or support from the cloud provider. It harvests producer memory using an application-aware control loop to form a distributed transient remote memory pool with minimal performance impact; it employs a broker to match producers with consumers while satisfying performance constraints; and it exposes the matched memory to consumers through different abstractions. As a proof of concept, we propose two such memory access interfaces for Memtrade consumers -- a transient KV cache for specified applications and a swap interface that is application-transparent. Our evaluation shows that Memtrade provides significant performance benefits for consumers (improving average read latency up to 2.8X) while preserving confidentiality and integrity, with little impact on producer applications (degrading performance by less than 2.1%).