gebhart/patrepeval huggingface dataset:
A Plastic–Crystal Electrolyte Interphase for All‐Solid‐State Sodium Batteries (2017)

The development of all-solid-state rechargeable batteries is plagued by a large interfacial resistance between a solid cathode and a solid electrolyte that increases with each charge-discharge cycle. The introduction of a plastic-crystal electrolyte interphase between a solid electrolyte and solid cathode particles reduces the interfacial resistance, increases the cycle life, and allows a high rate performance. Comparison of solid-state sodium cells with 1) solid electrolyte Na<sub>3</sub> Zr<sub>2</sub> (Si<sub>2</sub> PO<sub>4</sub> ) particles versus 2) plastic-crystal electrolyte in the cathode composites shows that the former suffers from a huge irreversible capacity loss on cycling whereas the latter exhibits a dramatically improved electrochemical performance with retention of capacity for over 100 cycles and cycling at 5 C rate. The application of a plastic-crystal electrolyte interphase between a solid electrolyte and a solid cathode may be extended to other all-solid-state battery cells.
Analysis of a Three-Phase Twelve-Pulse Voltage Output Type Rectifier (2022)

Exact solution of a circuit model for a three-phase twelve-pulse rectifier with constant-voltage load and ac-side reactance for the continuous conduction mode is presented. Obtained results are compared to the results provided by sinusoidal approximation. It is shown that the sinusoidal approximation provides acceptable results at low output voltages, with the accuracy being decreased for the output voltages approaching to the discontinuous conduction mode boundary. In comparison to the exact solution, the sinusoidal approximation always provides slightly more optimistic prediction for the rectifier exploitation parameters. Computational complexity of the exact solution is the same as for the solution obtained applying sinusoidal approximation, having the same structure, but different parameters. In comparison to the six-pulse rectifiers of the same type, analyzed in previous publications, agreement between the solutions is better due to the increased pulse number and reduced harmonic content of the waveforms.
Supplementary Tables from Quantitative Whole Genome Sequencing of Circulating Tumor Cells Enables Personalized Combination Therapy of Metastatic Cancer (2023)

&lt;p&gt;The following file contains Tables S1-12. The contents of these tables are referenced through the manuscript and contain the basis for the results summarized in the paper. The list of tables is as follows: S1. CNV. This table contains all the copy number gains and losses identified in the CTCs. S2. SNV. This table contains all of the somatic SNVs identified in the CTCs. S3. Indel. This table contains all of the somatic insertions and deletions identified in the CTCs. S4. NA12877 somatic. This table contains all of the somatic SNVs identified in NA12877. S5. Allele fraction. This table contains allele fraction calculations and compartment number filtering calculations. S6. Sanger and Miseq. This table contains all of the Sanger sequencing and Miseq validation for the 77 somatic SNVs validated in this study. S7. Mutational spectrum. This table contains the mutation spectrum analysis and the comparison of the CTC mutation spectrum to other tumor types. S8. Non-coding annotation. This table contains a list of potentially important somatic noncoding variants. S9. Splicing. This table contains somatic splicing variants. S10. MHC-II. This table contains the potential somatic coding changes which would result in MHC-II binding antigens. S11. Two hit. This table contains genes with two potential inactivating variants, this can include inherited and somatic variants. S12. Phasing. This table contains phased somatic and/or inherited variants that potentially inactivate a gene through a compound heterozygous mechanism.&lt;/p&gt;
Precocious immune response following Salmonella enterica serovar Tiphimurium infection in porcine jejunal gut loops (2008)

International audience
Impedance Model of a Water-Filled Pt Nanopore: Interfacial Charging and Chemisorption Effects (2020)

The impedance response contains rich information about an electrochemical system under investigation. Disentangling this highly convoluted information requires physical models. In this work, we develop a theoretical impedance model for a water-filled Pt nanopore, as a representative element in electrocatalytically active layers of polymer electrolyte fuel cells or electrolysis cells. The model accounts for double-layer charging, proton conduction and oxygen transport in the pore as well as chemisorption and oxygen reduction reaction at the Pt surface. It relaxes two widely used assumptions, namely, electroneutrality in solution phase and infinitely fast adsorption kinetics. Analytical impedance expressions are obtained for different limiting cases and impedance fingerprints of interfacial charging and chemisorption effects are identified.
Phenoxyl, (Methylthio)phenoxyl, and (Methylthio)cresyl Radical Models for the Structures, Vibrations, and Spin Properties of the Cysteine-Linked Tyrosyl Radical in Galactose Oxidase (1999)

A cysteine-linked tyrosyl radical is implicated as a redox-active subunit in the stereospecific oxidation of d-alcohols to aldehydes by galactose oxidase. This contribution reports hybrid Hartree−Fock/density functional B3LYP/6-31G(d) quantum chemical calculations to compare the structures and properties of phenoxyl, (methylthio)phenoxyl, and (methylthio)cresyl radicalsincreasingly accurate structural models for the biological radical. Calculated isotropic hyperfine coupling constants (hfcc's) for (methylthio)cresyl radical most closely resemble hfcc's measured for the apoenzyme (with Cu2+ removed), although the odd-alternant spin density pattern of phenoxyl radical is preserved in all three models. All three radicals are similarly accurate models for the vibrations of the enzyme's radical, although the calculated frequency for Wilson mode 19a, considered diagnostic for the cysteine-linked tyrosyl radical in galactose oxidase, appears closest to experimental results for the (methylthio)cresyl radical. Similarities between vibrational normal modes for the three radicals studied here are quantified by using a recently proposed comparative tool, vibrational projection analysis (Grafton, A. K.; Wheeler, R. A. J. Comput. Chem. 1998, 19, 1663; Comput. Phys. Commun 1998, 113, 78).
ChemInform Abstract: Rare Protein Turns: γ‐Turn, Helix—Turn—Helix, and cis‐Proline Mimics (2000)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Single-Stage 6D Object Pose Estimation (2019)

Most recent 6D pose estimation frameworks first rely on a deep network to establish correspondences between 3D object keypoints and 2D image locations and then use a variant of a RANSAC-based Perspective-n-Point (PnP) algorithm. This two-stage process, however, is suboptimal: First, it is not end-to-end trainable. Second, training the deep network relies on a surrogate loss that does not directly reflect the final 6D pose estimation task. In this work, we introduce a deep architecture that directly regresses 6D poses from correspondences. It takes as input a group of candidate correspondences for each 3D keypoint and accounts for the fact that the order of the correspondences within each group is irrelevant, while the order of the groups, that is, of the 3D keypoints, is fixed. Our architecture is generic and can thus be exploited in conjunction with existing correspondence-extraction networks so as to yield single-stage 6D pose estimation frameworks. Our experiments demonstrate that these single-stage frameworks consistently outperform their two-stage counterparts in terms of both accuracy and speed.
Phosphodiesterase 5 Inhibitors to Treat Erectile Dysfunction (2010)

This chapter contains sections titled: Introduction Pharmacology of Phosphodiesterases Pyrimidinone PDE5 Inhibitors Nonpyrimidone PDE5 Inhibitors Conclusions References
Regioselective Formation of C-Centered Radicals Using the Intramolecular 1,5-Hydrogen Atom Transfer (1991)

A regioselective method for the formation of C-centered radicals using an intramolecular 1,5-hydrogen atom transfer from a C(sp3)-H bond to an aryl radical is described. The efficiency of the process depends on conformational effects rather than on the stabilization of the final radical by the adjacent substituents.
Calcium Trifluoromethanesulfonate Catalyzed Aminolysis of Epoxides. (2003)

Abstract For Abstract see ChemInform Abstract in Full Text.
Disjoint combinations profiling (DCP): a new method for the prediction of antibody CDR conformation from sequence. (2014)

The accurate prediction of the conformation of Complementarity-Determining Regions (CDRs) is important in modelling antibodies for protein engineering applications. Specifically, the Canonical paradigm has proved successful in predicting the CDR conformation in antibody variable regions. It relies on canonical templates which detail allowed residues at key positions in the variable region framework or in the CDR itself for 5 of the 6 CDRs. While no templates have as yet been defined for the hypervariable CDR-H3, instead, reliable sequence rules have been devised for predicting the base of the CDR-H3 loop. Here a new method termed Disjoint Combinations Profiling (DCP) is presented, which contributes a considerable advance in the prediction of CDR conformations. This novel method is explained and compared with canonical templates and sequence rules in a 3-way blind prediction. DCP achieved 93% accuracy over 951 blind predictions and showed an improvement in cumulative accuracy compared to predictions with canonical templates or sequence-rules. In addition to its overall improvement in prediction accuracy, it is suggested that DCP is open to better implementations in the future and that it can improve as more antibody structures are deposited in the databank. In contrast, it is argued that canonical templates and sequence rules may have reached their peak.
Abstract A001: Modeling cancer’s ecological and evolutionary dynamics (2022)

Abstract We present a theoretical modeling framework, called the G function, to understand cancer speciation, diversification, and environmental adaptation. The G function integrates both the ecology and evolution of cancer and has been used in evolutionary ecology. However, the G function has not yet been widely applied to problems in cancer. Here, we build the G-function framework from fundamental Darwinian principles and discuss how cancer is inherently an evolutionary game. We begin with a simple model of cancer growth and add on components of cancer cell competition and drug resistance. To aid in exploration of eco-evolutionary modeling with this approach, we also present a user-friendly online tool. We argue that G-functions are useful to understand the games cancer plays in a biologically mechanistic fashion. Citation Format: Anuraag Bukkuri, Kenneth J. Pienta, Ian Hockett, Robert H. Austin, Emma U. Hammarlund, Sarah R. Amend, Joel S. Brown. Modeling cancer’s ecological and evolutionary dynamics [abstract]. In: Proceedings of the AACR Special Conference on the Evolutionary Dynamics in Carcinogenesis and Response to Therapy; 2022 Mar 14-17. Philadelphia (PA): AACR; Cancer Res 2022;82(10 Suppl):Abstract nr A001.
Towards a Ge-based laser for CMOS applications (2008)

We report experimental observation of direct band gap photoluminescence (PL) and optical bleaching of band-engineered epitaxial Ge-on-Si at room temperature, confirming that this material is a promising candidate for efficient light emitting devices on Si.
Free-floating dual-arm robots for space assembly (1994)

Freely moving systems in space conserve linear and angular momentum. As moving systems collide, the velocities get altered due to transfer of momentum. The development of strategies for assembly in a free-floating work environment requires a good understanding of primitives such as self motion of the robot, propulsion of the robot due to onboard thrusters, docking of the robot, retrieval of an object from a collection of objects, and release of an object in an object pool. The analytics of such assemblies involve not only kinematics and rigid body dynamics but also collision and impact dynamics of multibody systems. In an effort to understand such assemblies in zero gravity space environment, we are currently developing at Ohio University a free-floating assembly facility with a dual-arm planar robot equipped with thrusters, a free-floating material table, and a free-floating assembly table. The objective is to pick up workpieces from the material table and combine them into prespecified assemblies. This paper presents analytical models of assembly primitives and strategies for overall assembly. A computer simulation of an assembly is developed using the analytical models. The experiment facility will be used to verify the theoretical predictions.
Falling microbead counter-flow process for separating gas mixtures (2023)

A method and reactor for removing a component from a gas stream is provided. In one embodiment, the method includes providing the gas stream containing the component that is to be removed and adsorbing the component out of the gas stream as the gas stream rises via microbeads of a sorbent falling down an adsorber section of a reactor.
High-level information-an approach for integrating front-end and back-end compilers (2002)

We propose a new universal High-Level Information (HLI) format to effectively integrate front-end and back-end compilers by passing front-end information to the back-end compiler. Importing this information into an existing back-end leverages the state-of-the-art analysis and transformation capabilities of existing front-end compilers to allow the back-end greater optimization potential than it has when relying on only locally-extracted information. A version of the HLI has been implemented in the SUIF parallelizing compiler and the GCC back-end compiler. Experimental results with the SPEC benchmarks show that HLI can provide GCC with substantially more accurate data dependence information than it can obtain on its own. Our results show that the number of dependence edges in GCC can be reduced by an average of 48% for the integer benchmark programs and an average of 54% for the floating-point benchmark programs studied, which provides greater flexibility to GCC's code scheduling pass. Even with the scheduling optimization limited to basic blocks, the use of HLI produces moderate speedups compared to using only GCC's dependence tests when the optimized programs are executed on MIPS R4600 and R10000 processors.
Translating cancer genomes and transcriptomes for precision oncology (2015)

Understanding the molecular landscape of cancer has facilitated the development of diagnostic, prognostic, and predictive biomarkers for clinical oncology. Developments in next-generation DNA sequencing technologies have increased the speed and reduced the cost of sequencing the nucleic acids of cancer cells. This has unlocked opportunities to characterize the genomic and transcriptomic landscapes of cancer for basic science research through projects like The Cancer Genome Atlas. The cancer genome includes DNA-based alterations, such as point mutations or gene duplications. The cancer transcriptome involves RNA-based alterations, including changes in messenger RNAs. Together, the genome and transcriptome can provide a comprehensive view of an individual patient's cancer that is beginning to impact real-time clinical decision-making. The authors discuss several opportunities for translating this basic science knowledge into clinical practice, including a molecular classification of cancer, heritable risk of cancer, eligibility for targeted therapies, and the development of innovative, genomic-based clinical trials. In this review, key applications and new directions are outlined for translating the cancer genome and transcriptome into patient care in the clinic.
Relevant role of von Willebrand factor in neutrophil recruitment in a mouse sepsis model involving cecal ligation and puncture (2015)

Relevant role of von Willebrand factor in neutrophil recruitment in a mouse sepsis model involving cecal ligation and puncture
Toward high surface area TiO2 brookite with morphology control (2011)

TiO2 materials have many practical applications due to their intrinsic physico-chemical properties. Research activities on the properties of TiO2 brookite have been restrained by the difficulty of preparing such a phase. Here, we report on the synthesis of TiO2 brookite prepared by thermal decomposition of a titanium oxalate hydrate compound. Since the characteristics of the prepared TiO2 brookite are dictated by those of the precursor, the present work aims to understand the aqueous precipitation process of the oxalate hydrate phase. It was shown that the formation of the phase occurred via different steps that are affected by the synthesis conditions, i.e. the oxalate source and the duration time. At first, in agreement with the Ostwald's rule of stages, the formation of the oxalate phase implied a metastable intermediate that is a poorly crystallized TiO2 phase. The pH of the solution was shown to impact on the kinetic of transformation of this intermediate toward the final compound. In the presence of alkali ions, the oxalate phase was shown to undergo a dissolution/etching phenomenon that is dependent on the nature of the alkali ion used. The apparent difference in adsorption ability of the alkali ions on the different crystal planes of the titanium oxalate hydrate phase accounted for the variety of the obtained morphologies. Finally, it was suggested that the reaction was promoted by a coordination-assisted mechanism involving the complexing properties of the oxalate anions toward Ti4+ ions. The obtained TiO2 brookite materials exhibit unreached high specific surface area lying between 150 and 400 m2 g−1 while displaying high packing density around 1–1.2 g cm−3. The lithium insertion ability of the prepared material depends on the calcination temperature. Increasing the temperature led to a decrease of the lithium uptake properties but was shown to improve the kinetics of lithium insertion. This was due to an increase of the pore radius size that enabled a faster lithium diffusion transport to be achieved under high current density conditions.
Nanocrystal LEDs with enhanced external quantum efficiency enabled by the use of phosphorescent molecules (2013)

We report efficiency enhancement in quantum dot (QD) based LEDs with the aid of excitonic energy transfer from co-doped TCTA:Ir(ppy) <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> layer to CdSe/ZnS QDs while providing spectrally pure emission.
ChemInform Abstract: Carbenes with Ferrocenyl Substituents (2001)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Arterial abnormalities identified in kidneys transplanted into children during the COVID-19 pandemic (2020)

Graft artery stenosis can have a significant short- and long-term negative impact on renal graft function. From the beginning of the COVID-19 pandemic, we noticed an unusual number of graft arterial anomalies following kidney transplant (KTx) in children. Nine children received a KTx at our center between February and July 2020, eight boys and one girl, of median age of 10 years. Seven presented Doppler features suggesting arterial stenosis, with an unusual extensive pattern. For comparison, over the previous 5-year period, persistent spectral Doppler arterial anomalies (focal anastomotic stenoses) following KTx were seen in 5% of children at our center. We retrospectively evidenced severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection in five of seven children with arterial stenosis. The remaining two patients had received a graft from a deceased adolescent donor with a positive serology at D0. These data led us to suspect immune postviral graft vasculitis, triggered by SARS-CoV-2. Because the diagnosis of COVID-19 is challenging in children, we recommend pretransplant monitoring of graft recipients and their parents by monthly RT-PCR and serology. We suggest balancing the risk of postviral graft vasculitis against the risk of prolonged dialysis when considering transplantation in a child during the pandemic.
Miscibility of poly(vinyl chloride) with ethylene/N,N‐dimethylacrylamide copolymers. (1982)

Abstract The incorporation of N,N ‐dimethylacrylamide (DMA) as a comonomer in polyethylene yields a material possessing dramatically improved mechanical compatibility with poly(vinyl chloride) (PVC). At increased levels of DMA (25–30 wt.‐%) miscibility with PVC is achieved. This behavior is believed to be due to the specific interaction of the tertiary hydrogen of poly(vinyl chloride) (weak “acid” or proton donor) with the disubstituted amide in the ethylene copolymer (weak “base” or proton acceptor). Dynamic mechanical characterization of the ethylene/DMA copolymer (EDMA)/PVC blends reveals separate glass transitions temperatures at DMA levels below 20 wt.‐%; they merge into a single T g when the DMA content reaches a value above 25 wt.‐% in the ethylene copolymer. The secondary loss transition for PVC (−40°C) is lowered in temperature and greatly suppressed in magnitude. This is further evidence of molecular miscibility. Mechanical property data obtained on the EDMA/PVC blends are consistent with the foregoing considerations.
Heterojunction thermophotovoltaic devices with high voltage factor (2007)

We have demonstrated a heterojunction thermophotovoltaic device. The 0.54eV band gap device has an open-circuit voltage of 360mV for a short circuit current density of 2.7A∕cm2 at T=25°C, which is higher than the open-circuit voltage realized in any other thermophotovoltaic device previously demonstrated having comparable band gaps.
Analysis of human hepatic microsomal glucose-6-phosphatase in clinical conditions where the T2 pyrophosphate/phosphate transport protein is absent (1992)

The availability of a rare set of human hepatic microsomes in which T2, a pyrophosphate/phosphate transport protein of the glucose-6-phosphatase system, has been shown immunologically to be completely absent, has permitted further characterization of multicomponent glucose-6-phosphatase (EC 3.1.3.9). Pyrophosphatase activity in intact microsomes was found to be totally absent, but was normal in disrupted microsomes. However, Pi did not accumulate within the lumen of the microsomes when glucose 6-phosphate was the substrate. This was not as predicted if there is only one transport protein in the endoplasmic reticulum capable of transporting Pi, produced by glucose-6-phosphatase, out of the lumen. The results suggest that the pyrophosphate/phosphate transport system of human hepatic endoplasmic reticulum must be more complex than previously thought, as it must comprise at least two protein components.
ChemInform Abstract: REACTIONS WITH INDOLE DERIVATIVES. 36. SIMPLE STEREOSELECTIVE SYNTHESIS OF EBURNAMONINE (1978)

Abstract Die Kondensation der Cyclopropanaldehyde (II) mit Tryptamin verläuft stereoselektiv ausschließlich zu (IIIa) bzw. überwiegend zu (IIIb) neben (IVb) (Verhältnis 85:15).