gebhart/patrepeval huggingface dataset:
Tribute to John B. Goodenough: From Magnetism to Rechargeable Batteries (2020)

Abstract In macroeconomics, the rate of economic growth in the world is a historical phenomenon, which will mark the 20th century. It was made possible by an increasing consumption of fossil fuel. However, not only are these resources limited and unrenewable, but combustion has dramatic side effects such as emission of greenhouse gases responsible for global warming and change of climate. As a consequence, major efforts have been taken to move away from fossil fuels and switch to renewable energy including solar and wind energy. These energy sources, however, are intermittent and can be integrated into the electrical network only after regulation. Electrochemical storage is a key solution to regulate these intermittent sources of energy into smart grids. Although governments have only recently become aware of this problem, some scientists have been focusing their attention on rechargeable batteries since the 1970s, and it took until 2019 for the Nobel committee to award the Nobel prize to those who paved the path to their development. John B. Goodenough is one of the three winners of this Nobel prize, for his pioneering research on lithium‐ion batteries (LIBs). The impact of LIBs includes the development of rechargeable hybrid and electric vehicles at the expense of gasoline cars. Before the 1970s, however, John B. Goodenough had already made major contributions to materials science as a solid state physicist, including the investigation of the interplay between the magnetic and transport properties of perovskites. It is the purpose of the present work to report a brief review of the scientific works of John B. Goodenough, through selected works that demonstrate his mastery of chemistry and physics.
Dual Agarolytic Pathways in a Marine Bacterium, Vibrio sp. Strain EJY3: Molecular and Enzymatic Verification (2020)

<i>Vibrio</i> sp. strain EJY3 is an agarolytic marine bacterium that catabolizes 3,6-anhydro-l-galactose (AHG), a monomeric sugar unit of agarose. While the AHG catabolic pathway in EJY3 has been discovered recently, the complete agarolytic system of EJY3 remains unclear. We have identified five enzymes, namely, the β-agarases <i>Vej</i>GH50A, <i>Vej</i>GH50B, <i>Vej</i>GH50C, and <i>Vej</i>GH50D and the α-neoagarooligosaccharide (NAOS) hydrolase <i>Vej</i>GH117, involved in the agarolytic system of EJY3. Based on the characterization of recombinant enzymes and intracellular metabolite analysis, we found that EJY3 catabolizes agarose via two different agarolytic pathways. Among the four β-agarases of EJY3, <i>Vej</i>GH50A, <i>Vej</i>GH50B, and <i>Vej</i>GH50C were found to be extracellular agarases, producing mainly neoagarotetraose (NeoDP4) and neoagarobiose. By detecting intracellular NeoDP4 in EJY3 grown on agarose, NeoDP4 was observed being taken up by cells. Intriguingly, intracellular NeoDP4 acted as a branching point for the two different downstream agarolytic pathways. First, via the well-known agarolytic pathway, NeoDP4 was depolymerized into monomeric sugars by the exo-type β-agarase <i>Vej</i>GH50D and the α-NAOS hydrolase <i>Vej</i>GH117. Second, via the newly found alternative agarolytic pathway, NeoDP4 was depolymerized into AHG and agarotriose (AgaDP3) by <i>Vej</i>GH117, and AgaDP3 then was completely depolymerized into monomeric sugars by sequential reactions of the agarolytic β-galactosidases (ABG) <i>Vej</i>ABG and <i>Vej</i>GH117. Therefore, by experimentally verifying agarolytic enzymatic activity and transport of NeoDP4 into EJY3 cells, we revealed that EJY3 possesses both the known pathway and the newly discovered alternative pathway that involves α-NAOS hydrolase and ABG.<b>IMPORTANCE</b> Agarose is the main polysaccharide of red macroalgae and is composed of galactose and 3,6-anhydro-l-galactose. Many marine bacteria possess enzymes capable of depolymerizing agarose into oligomers and then depolymerizing the oligomers into monomers. Here, we experimentally verified that both a well-known agarolytic pathway and a novel agarolytic pathway exist in a marine bacterium, <i>Vibrio</i> sp. strain EJY3. In agarolytic pathways, agarose is depolymerized mainly into 4-sugar-unit oligomers by extracellular enzymes, which are then transported into cells. The imported oligomers are intracellularly depolymerized into galactose and 3,6-anhydro-l-galactose by two different agarolytic pathways, using different combinations of intracellular enzymes. These results elucidate the depolymerization routes of red macroalgal biomass in the ocean by marine bacteria and provide clues for developing industrial processes for efficiently producing sugars from red macroalgae.
Robust, Uniform, and Highly Emissive Quantum Dot–Polymer Films and Patterns Using Thiol–Ene Chemistry (2017)

This work demonstrates a facile and versatile method for generating low scattering cross-linked quantum dot (QD)-polymer composite films and patterned highly emissive structures with ultrahigh QD loading, minimal phase separation, and tunable mechanical properties. Uniform QD-polymer films are fabricated using thiol-ene chemistry, in which cross-linked polymer networks are rapidly produced in ambient conditions via fast UV polymerization in bulk to suppress QD aggregation. UV-controlled thiol-ene chemistry limits phase separation through producing highly QD loaded cross-linked composites with loadings above majority of those reported in the literature (<1%) and approaching 30%. As the QD loading is increased, the thiol and ene conversion decreases, resulting in nanocomposites with widely variable and tailorable mechanical properties as a function of UV irradiation time with an elastic modulus decreasing to 1 GPa being characteristic of reinforced elastomeric materials, in contrast to usually observed stiff and brittle materials under these loading conditions. Furthermore, we demonstrate that the thiol-ene chemistry is compatible with soft-imprint lithography, making it possible to pattern highly loaded QD films while preserving the optical properties essential for high gain and low optical loss devices. The versatility of thiol-ene chemistry to produce high-dense QD-polymer films potentially makes it an important technique for polymer-based elastomeric optical metamaterials, where efficient light propagation is critical, like peculiar waveguides, sensors, and optical gain films.
Heavy tailed M/G/1-PS queues with impatience and admission control in packet networks (2004)

In this paper we analyze the M/G/1 processor sharing queue with heavy tailed services and with impatient customers. It is assumed that impatience depends on the value of the service required. We prove that a reduced service rate (RSR) approximation holds for estimating the sojourn time of a customer in the system, when the queue capacity is finite or infinite. This allows us to evaluate the reneging probability of customers with very large service times. We then use these results to investigate the impact of admission control on a link of a packet network. Admission control simply consists of limiting the number of simultaneous connections. It turns out that there is a real benefit for the efficiency of the system to perform admission control: It globally increases the fraction of customers, who complete their service (i.e. without being impatient). Finally, we investigate the fairness of the system and propose a criterion to assess the capacity of the system so as to allow the completion of very large service times.
Terahertz Characterization of DNA: Enabling a Novel Approach (2015)

Abstract : The terahertz spectrum of radiation has been determined to be a promising candidate for the characterization of biological molecules, such as DNA. Several alternative methods, including fluorescent chromophore labeling and techniques that use terahertz radiation, have been proposed and are currently in use. Though established, they have disadvantages, such as alteration to the nucleic acid sequence, requirement of a thick DNA testing layer, and conductor structure complexity. This project enables a novel method to identify DNA in a more reliable and less procedurally complicated manner. The method involves the use of terahertz surface plasmon generated on the surface of a gold-coated stainless steel perforated foil. This approach is less expensive and requires smaller quantities of genetic testing material. Such advantages are due to overlapping resonance when the plasmon frequency generated by a foil coincides with that of the biological material. The interference of the impinging terahertz wave and surface plasmon produces spectral graphs, which can be analyzed to identify and characterize a DNA sample. This work sets the foundations of a systematic approach to successfully make the plasmon-based terahertz approach a promising candidate. The location and orientation of the samples were kept constant to obtain conclusive and comparative results. This work offers clear evidence that the DNA molecules under investigation interact with the terahertz wave.
Abstract 5267: Unbiased metabolic profiling of atypical teratoid/rhabdoid tumors predicts sensitivity to the glutamine metabolic inhibitor 6-diazo-5-oxo-L-norleucine (2019)

Abstract Atypical teratoid rhabdoid tumors (AT/RT) are deadly tumors of infancy in need of new, targeted therapies. Molecular analyses have revealed 3 epigenetically distinct subgroups of AT/RT. High MYC-expressing tumors are a particularly aggressive subgroup, with a 5-year median survival of 18.5%. MYC is difficult to directly target given large, flat, featureless protein-protein binding sites. We performed the first unbiased metabolic profile of AT/RT cell models by high-performance liquid chromatography-mass spectrometry. This study revealed that high MYC-expressing AT/RT have a unique metabolic profile (Partial Least Squares-Discriminant Analysis). Pathway analysis highlights a dependence on glutamine metabolism in high-MYC expressing AT/RT. High MYC-expressing cell lines grow poorly in glutamine-free media compared to low-MYC cell lines (MTS assay, glutamine-free media vs normal media). Due to this dependence on glutamine metabolism, we hypothesized that high-MYC expressing AT/RT would be especially sensitive to glutamine metabolic inhibitors. We show that the glutamine analogue, 6-diazo-5-oxo-L-norleucine (DON) slows high-MYC expressing AT/RT cell growth, induces high rates of apoptosis, and improves survival in orthotopic mouse models of high-MYC expressing AT/RT (p =0.0027 by log-rank test). In contrast, low-MYC expressing models are relatively insensitive to DON. In uniformly labeled glutamine metabolic analyses of AT/RT cells, DON treatment led to depletion of glutathione levels by preventing the production of glutamate. DON treatment synergized with carboplatin to kill AT/RT cells in vitro and extend the life of mice bearing AT/RT orthotopic xenografts (p&amp;lt; 0.001 by log rank test). We aim to translate these findings into a new clinical trial to improve survival in this deadly disease. Citation Format: Sabrina Z. Wang, Brad Poore, Jesse Alt, Antoinette Price, Sariah Allen, Brent Orr, Rana Rais, Barbara Slusher, Charles Eberhart, Eric H. Raabe, Jeffrey H. Rubens. Unbiased metabolic profiling of atypical teratoid/rhabdoid tumors predicts sensitivity to the glutamine metabolic inhibitor 6-diazo-5-oxo-L-norleucine [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2019; 2019 Mar 29-Apr 3; Atlanta, GA. Philadelphia (PA): AACR; Cancer Res 2019;79(13 Suppl):Abstract nr 5267.
Profiles of Volatile Biomarkers Detect Tuberculosis from Skin (Adv. Sci. 15/2021) (2021)

Detecting Tuberculosis from Skin Headspace In article number 2100235, Hossam Haick and co‐workers report on a new diagnostic approach for enabling a noninvasive, fast, and highly accurate way of detecting Tuberculosis. The approach relies on Tuberculosis‐specific volatile biomarkers that are detected and quantified from the skin headspace. A specifically designed lab‐based and wearable sensors array in conjugation with machine learning translates the detection of these biomarkers into a point‐of‐care diagnosis with sensitivity above 90%. [Image: see text]
ChemInform Abstract: The Dual-Catalyzed (Amino Alcohol/Lewis Acid) Enantioselective Addition of Diethylzinc to N-Diphenylphosphinoyl Imines. (2010)

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.
Functional studies of newly synthesized benzoic acid derivatives: Identification of highly potent retinoid‐like activity (1988)

Three newly synthesized benzoic acid derivatives (terephthalic acid anilides, chalcone carboxylic acid, and azobenzene carboxylic acid), with a certain structural similarity to retinoic acid, were examined for their retinoid-like bioactivity and their capacity to bind to cellular retinoid binding proteins. Two in vitro systems were used to evaluate their retinoid-like bioactivity: inhibition of adipose conversion of ST 13 murine preadipose cells and growth promotion of murine sarcoma virus (MSV)-transformed 3T3 cells in serum-free culture. All three compounds tested inhibited ST 13 adipose conversion at nanomolar concentrations in a manner similar to classical retinoids such as retinoic acid. The growth-stimulating activity of these compounds on MSV-transformed 3T3 cells was one to two orders of magnitude greater than that of retinoic acid. Simultaneous treatment with these compounds and retinoic acid produced only a barely detectable additive effect, suggesting a common mechanism of action, whereas unrelated mitogens, thrombin, and insulin worked synergistically in combination with retinoic acid. None of the compounds competed with retinol for binding to cellular retinol binding protein. However, two of the three competed with retinoic acid for binding to cellular retinoic acid binding protein. This study provides evidence that the newly synthesized compounds should be included among the retinoids and that their strong biological activity will undoubtedly contribute to the biological and medical application of retinoids.
Motion Planning and Control of a Tractor With a Steerable Trailer Using Differential Flatness (2007)

This paper presents a methodology for trajectory planning and tracking control of a tractor with a steerable trailer based on the system’s dynamic model. The theory of differential flatness is used as the basic approach in these developments. Flat outputs are found that linearize the system’s dynamic model using dynamic feedback linearization, a subclass of differential flatness. It is demonstrated that this property considerably simplifies motion planning and the development of controller. Simulation results are presented in the paper, which show that the developed controller has the desirable performance with exponential stability.
P‐203: The Improvement of White OLED's Performance (2008)

Abstract We have researched further improvement upon three‐component white OLED devices with using fluorescent materials disclosed in SID'07. The long lifetime over 70,000hr@1,000cd/m 2 maintaining at a high efficiency of 20cd/A was achieved by optimization of a carrier balance with using new carrier transport materials. Performance of blue and red OLEDs were also developed in order to enhance capability of white OLEDs, respectively. A long lifetime of 50,000hr@1,000cd/m 2 was achieved by a new light blue dopant BD‐5. Meanwhile, we studied phosphorescent materials for the red device to progress towards further low power consumption. A low driving voltage of 4.4V at 10mA/cm 2 and a long lifetime of 100,000hr@1,000cd/m 2 were realized by employing a new host material and new carrier transport materials. These materials will contribute to large‐Size OLED TVs with color filter method or lighting application for practical use.
Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues (2007)

Metal cyanide framework materials with stoichiometries M(CN)2 and M′(CN)3 represent an intriguing family of inclusion compounds with technological potential in materials science and energy storage applications. In this paper we develop fundamental new insights by comparing, experimentally and theoretically, the structure and bonding trends in several molecular and solid-state main group compounds containing the same basic M—C≡N “building blocks”. In particular we describe for the first time the synthesis and structural characterization of molecular analogues of the Be(CN)2 and Ga(CN)3 frameworks such as Be(CN)2(NC5H5)2 and Ga(CN)3(NC5H5)2, which represent prototypical examples of simple binary cyanides of the main group element class. We also describe the formation of closely related analogues of boron such as B(CN)3·NC5H5 and B(CN)4·HNC5H5 and report their molecular crystal structures. Complementary density functional theory simulations are then used to elucidate: (i) the origin of the structural differences between the Ga(CN)3(NC5H5)2 and the corresponding Ga(CN)3 framework solid, (ii) bonding and energetic trends in the M(CN)3(NC5H5)2 series of molecules (M = Al, Ga, In), (iii) deviations from idealized structure in the M—CN—M units within the framework solids, and (iv) bond distributions in orientationally disordered framework solids.
Fan Laws for Rack Systems (2007)

As datacenter aisle noise levels approach OSHA workplace limits, air-cooled server racks share with desktop workstations the ultimate problem of being thermally constrained within a finite packaging volume by acoustic emission restrictions. The primary source of noise in most scalable 1 and 2 EIA rack drawers is an air moving device. Multiple compact dual stage counter-rotating bladed tubeaxial devices are being adopted to overcome the pressure drop of increasingly densely packed electronics. The design problem of maximizing hydraulic output within space and noise constraints naturally leads to the question of whether these many smaller fans could be gainfully replaced by fewer but larger fans. To examine this question, the fan laws for single devices are extended to equivalent systems of multiple parallel and series fans. The principle of impedance matching is applied to hydraulic sources and loads to maximize pumping power. A novel method is introduced to map fan speed, size, and hydraulic performance. The paper provides a proof that equal-staged noise-neutral space-filling planar arrays of parallel homologous devices must deliver the same net rack flow and pressure, and it shows that series arrangements of multiple stages of planar parallel fan arrays will always, under acoustic parity conditions, yield increased pressure at diminishing flow with each successive stage. At equivalent system hydraulic output, larger fans in series are shown to consume greater packaging volume while achieving lower overall acoustic output. Net rack flow and pressure relationships are also quantified for systems of equal total rack fan shaft power input. Examination of actual unit level fan noise measurements suggests that in practice, systems of small fans typically output 4 to 9 dB higher noise levels than larger fans operated at the same net flow and pressure. Finally, a survey of unit level airflow and power input measurements reveals that larger fans exhibit higher total efficiency than smaller fans.
Functional nickel complexes of N-heterocyclic carbeneligands in pre-organized and supported thin film materials (2011)

Nickel(II) complexes with double alkyl chain functionalized N-heterocyclic carbene (NHC) ligands, [NiCl2(C12MIM)2] and [NiCl2(C12C12IM)2], where C12MIM = 1-dodecyl-3-methylimidazolin-2-ylidene (1) and C12C12IM = 1,3-didodecylimidazolin-2-ylidene (2), have been prepared and fully characterized by 1H NMR, 13C NMR, and CHN elemental analyses. Furthermore, we have developed a system, in which double long alkyl chain derivatized Ni–NHC complexes are dissolved in the related ionic liquid crystalline 1,3-didodecylimidazolium tetrafluoroborate, [C12C12IM][BF4], to form pre-organized structures for enhanced reactivity. Remarkably, differential scanning calorimetry, polarized optical microscopy, and temperature-programmed IR reflection absorption spectroscopy performed on a mixture of 10 wt% Ni complexes in [C12C12IM][BF4] demonstrate that this system retains an ionic liquid crystalline phase; even after immobilization onto a silica-100 support with pore filling α = 1.
NMR Investigations on Di- and Tri-Azanaphthalenes Oriented in Liquid Crystals (1984)

Abstract Proton NMR spectra of 1,3-diazanaphthalene and 1,2,4-triazanaphthalene have been investigated in the nematic phase of three liquid crystals. The spectral analysis provided direct dipole-dipole couplings which have been used to derive the molecular structure. Geometry of the phenyl ring in both the molecules deviates from the regular hexagonal structure. Signs of the order parameter of the largest magnitude are opposite in liquid crystals with positive diamagetic anisotropies.
Physiological Parameter Estimation for Dorsal Column Spinal Cord Stimulation (2023)

Spinal Cord Stimulation (SCS) is an established treatment option for patients living with chronic neuropathic pain. Although recently developed implanted pulse generator (IPG) systems are utilizing real-time electrophysiological measurements of evoked compound action potential (ECAP) amplitude as a feedback signal for modulating SCS therapy, it is not clear whether this is the optimal feedback signal for maintaining consistent neural activation. In this paper, we consider ECAP amplitude alongside other extracted features, such as AUC, N1 time, and conduction velocity, and investigate how these features respond to changes in physiological parameters in a computational model of ECAPs produced by dorsal column SCS. We use a simulated test bed to compare therapy-relevant parameter estimation by linear estimators and a Kalman Filter constructed from different ECAP features, and we demonstrate that a Kalman Filter using N1 time or conduction velocity has robust performance across the range of simulated conditions at the stimulating and sensing electrodes, while estimators using ECAP amplitude and AUC features are shown to be prone to higher error when conditions at the stimulating and sensing electrodes are not ideal. These results may drive future adaptive SCS therapy developments and a reconsideration of how to leverage extracted ECAP features for detecting therapy-relevant signal changes.
Fast Pyrolysis of Poplar: Effects of Inorganic Salts on Primary Products (2012)

Introduction Fast pyrolysis technology has the potential of producing bio-oil from biomass at a commercial scale. However, the produced bio-oil contain oxygenates (aldehydes, ketones, phenolics, acids), which makes it too unstable and acidic to be fungible with existing infrastructure without additional costly chemical modification (e.g. hydrotreating). Inorganic species present in biomass have been shown to alter biomass pyrolysis pathways and bio-oil modification. 7 Previous studies mainly focused on the effect of inorganic species on end products and not on the intermediate reactions. We have explored impregnating poplar sections with inorganic salts to investigate the impact of a range of AAEM, and transition metal salts on the composition of primary products formed during fast pyrolysis in the CSR. The goal is to extract and analyze on-line, the evolved gases and vapors from the CSR using molecular beam mass spectroscopy.
High MOF loading in mixed-matrix membranes utilizing styrene/butadiene copolymers (2016)

A series of styrene/butadiene polymers were combined with up to 90 wt% UiO-66 to form mixed-matrix membranes with varying physical properties. Notably, polystyrene-block-polybutadiene (SBS) membranes retained much of the processability and flexibility of the native polymer component and the porosity, chemical tunability, and adsorption of the native MOF.