gebhart/patrepeval huggingface dataset:
Low-Valent Cobalt Isocyanides : Analogues to Classical Carbonyls (2015)

A synthetic and structural investigation of cobalt complexes stabilized by m-terphenyl isocyanides was conducted. These species were studied as isolable mimics to unsaturated cobalt carbonyls and as platforms to access coordination complexes with unusual dn/valence combinations. Through these studies, a critical assessment of isocyanide for carbonyl substitution is presented. This assessment includes a comparative study on the electronic influence of isocyanides (C[equivalence]N--R), as a function of R-group identity, in Cr(CNR)(CO)₅ complexes. Structural mimics to all three conformational isomers of Co₂(CO)₈ were prepared using the m-terphenyl isocyanides CNArMes² (ArMes² = 2,6-(2,4,6-Me₃C₆H₂)C₆H₃) and CNArDipp² (ArDipp² = 2,6-(2,6-i-Pr₂C₆H₃)C₆H₃). Solid-state X-ray diffraction data showed that 1,1-Co₂(CO)₆ (CNArMes²)₂ adopts a "D₂d-type" conformation, analogous to the elusive D₂d isomer of Co₂(CO)₈. The cobalt hydride HCo(CNArMes²)₄ was synthesized and structurally characterized. As a potential analogue to HCo(CO)₄, a broad survey of its reactivity was undertaken. In the course of this study, HCo(CNArMes²)₄ was found to mediate 1,1-hydrogenation and 1,1-hydrosilylation of CNArMes². Complementing this work, a complete series of mixed carbonyl-isocyanide cobalt metallates, [Co(CO)₄-n(CNArMes²)n]-, and hydrides, HCo(CO)₄-n(CNArMes²)n, were prepared. The synthesis and solution-phase properties of a zwitterionic cobalt metallate is presented. 2D EXSY NMR studies and isotopic labeling experiments demonstrate that [Eta]²- PPNCo(CNArMes²)₃, functions as a masked source of [Co(CNArMes²)₃]1-, a 16 valence electron isocyano metallate. Electrophillic functionalization of [Eta]²- PPNCo(CNArMes²)₃, with TMSCl, provided access to Co(SiMe₃)(CNArMes²)₃. This complex was structurally characterized by X-ray diffraction. The previously reported ability of Co(SiMe₃)(CNArMes²)₃ to form a [alpha] -complex with n-hexane at low-temperature in the solid state is contextualized with variable temperature IR and NMR studies. Reduction of Co(SiMe₃)(CNArMes²)₃ generated the highly reduced isocyano metallate K₂[Co(SiMe₃)(CNArMes²)₃]. This dissertation concludes with the synthesis and characterization of the first examples of terminal transition metal antimony trifluoride (SbF₃) and antimony difluoride (SbF₂) complexes
Cobalt‐Containing Silicotungstate Sandwich Dimer [{Co3(B‐β‐SiW9O33(OH)) (B‐β‐SiW8O29(OH)2)}2] 22‐. (2006)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Effects of SH2 and SH3 Deletions on the Functional Activities of Wild-Type and Transforming Variants of c-Src (1992)

The amino-termina, noncatalytic half of Src contains two domains, designated the Src homology 2 (SH2) and Src homology 3 (SH3) domains, that are highly conserved among members of the Src family of tyrosine kinases. The SH2 domain (which can be further divided into the B and C homology boxes) and the SH3 domain (also referred to as the A box) are also found in several proteins otherwise unrelated to protein tyrosine kinases. It is believed that these domains are important for directing specific protein-protein interactions necessary for the proper functioning of Src. To determine the importance of the SH2 and SH3 domains in regulating the functions of c-Src, we evaluated mutants of c-Src lacking the A box (residues 88 to 137), the B box (residues 148 to 187) or the C box (residues 220 to 231). Each of these deletions caused a 14- to 30-fold increase in the in vitro level of kinase activity of c-Src. Chicken embryo fibroblasts expressing the deletion mutants displayed a transformed cell morphology, formed colonies in soft agar, and contained elevated levels of cellular phosphotyrosine-containing proteins. Src substrates p36, p85, p120, p125, the GTPase-activating protein (GAP), and several GAP-associated proteins were phosphorylated on tyrosine in cells expressing the A, B, or C box deletion mutant. p110 was highly phosphorylated in cells expressing the C box mutant, was weakly phosphorylated in cells expressing the B box mutant, and was not phosphorylated in cells expressing the A box mutant. Expression of the mutant proteins caused a reorganization of the actin cytoskeleton similar to that seen in v-Src-transformed cells. In addition, deletion of the A, B, or C box did not diminish the transforming or enzymatic activity of an activated variant of c-Src, E378G. These data indicate that deletion of the A, B, or C homology box causes an activation of the catalytic and transforming potential of c-Src and that while these mutations caused subtle differences in substrate phosphorylation, the homology boxes are not required for many of the phenotypic changes associated with transformation by Src.
Efficient and Eco-Friendly Perspectives for C-H Arylation of Benzothiazole Utilizing Pd Nanoparticle-Decorated Chitosan (2022)

In this contribution, an eco-friendly, sustainable, and efficient palladium nanoparticle-decorated chitosan (Pd@Chitosan) catalyst was synthesized by a simple impregnation method. The synthesized material was utilized as a heterogeneous catalyst for the C-H arylation of benzothiazole under ultrasonic irradiation. The Pd@Chitosan catalyst efficiently catalyzed the conversion of aryl iodides and bromides to 1-(4-(benzothiazol-2-yl)phenyl)ethan-1-one selectively. A single product of 83–93% yield was obtained in N,N-dimethylformamide solvent at 80 °C for 2.5h. This study reveals that Pd@Chitosan is an efficient catalyst, which catalyzes the C-H arylation with good reaction yields. The activity of the Pd@Chitosan is due to the presence of highly dispersed Pd(0) nanoparticles on the surface of the chitosan and Pd2+; a tentative mechanism was proposed based on the XPS results of the fresh catalyst and spent catalyst.
Characterization of a 70-kDa, EBV gp350/220-binding protein on HSB-2 T cells. (1994)

EBV binds and infects HSB-2 T cells via a receptor distinct from CD21. To further study this novel EBV receptor, we expressed the first 470 amino acids of the EBV-gp350/220 using the baculovirus expression system. The recombinant gp350/220(1-470) has a m.w. of 95 kDa, reacts with anti-gp350/220 Abs, and binds CD21 in ELISA. Radiolabeled gp350/220(1-470) binds both HSB-2 and Raji cells. The gp350/220(1-470) protein also inhibits EBV binding to both HSB-2 and Raji, detected by flow cytometry. Lysates of HSB-2 cells compete with CD21 for binding to gp350/220(1-470), suggesting that the two receptors bind related epitopes on the recombinant protein. Scatchard analysis reveals that gp350/220(1-470) binds to 34,000 high affinity sites/HSB-2 cell (Kd = 0.92 x 10(-8) M) compared with the 97,000 high affinity sites bound/Raji cell (Kd = 1.78 x 10(-8) M). Utilizing a gp350/220(1-470)-affinity matrix, we identify a 70-kDa (55-kDa nonreduced) protein on the surfaces of 125I-labeled HSB-2 cells. Binding of this protein to the matrix is inhibited by anti-gp350/220 Ab 72A1. In summary, we characterize a novel EBV-binding molecule on HSB-2 cells, compare its reactivity with gp350/220 to that of CD21, and provide evidence of a gp350/220-reactive, 70-kDa protein on the surfaces of HSB-2 cells. In view of previous evidence of HSB-2 infectivity by EBV, we propose that the 70 kDa protein represents the novel EBV receptor.
Estimation Error Bound of Battery Electrode Parameters With Limited Data Window (2019)

Advanced battery management system, which leverages an in-depth understanding of the battery state of health, can improve efficiently and safely. To this end, we introduce the electrode-level battery state of health (eSOH) estimation problem with open-circuit voltage (OCV) data. In real-world applications, collecting the full-range OCV data is difficult since the battery is not deeply discharged. When data is limited, the estimation accuracy deteriorates. In this article, we quantify the uncertainty of the electrode parameter estimation with partial data based on the Cramer-Rao bound and confidence interval. By introducing a voltage constraint in the estimation problem, the positive electrode parameters can be estimated with sufficient accuracy over a wide range of state of charge. However, the estimation accuracy of the negative electrode parameters is more sensitive to the depth of discharge. The proposed framework can be used as a guideline for selecting proper data windows and understanding the impact on parameter estimation.
Development of a Continuous Flow Process for a Matteson Reaction: From Lab Scale to Full-Scale Production of a Pharmaceutical Intermediate (2019)

Within this paper, we present the design, development, and scale-up of a process for a continuous Matteson reaction to produce a key intermediate toward the β-lactamase inhibitor vaborbactam. This includes the successful implementation of the continuous concept at a multiton production scale for the API at Patheon, part of Thermo Fisher Scientific. The first-generation continuous flow production with its discontinuous downstream processing was further developed to a fully continuous production through installation of a continuous loop reactor. This enabled increased productivity and energy efficiency, eliminated volume and time bottlenecks, and reduced waste.
Nanocellulose and Polycaprolactone Nanospun Composite Membranes and Their Potential for the Removal of Pollutants from Water (2020)

A composite membrane based on polycaprolactone (PCL) and cellulose nanofibers (CNF) with different compositions was prepared using the electro-spinning method, with the objective of developing organic membranes with good mechanical properties to remove contaminants from water. Water is a resource of primary importance for life and human activities. In this sense, cellulose obtained from agave bagasse and polycaprolactone nanofibers was used to prepare membranes that were tested by filtering tap water. The membranes obtained presented a porosity and structure on a nanometric scale. The water quality variables evaluated after filtration with the PCL/CNF membranes showed 100% turbidity removal, 100% conductivity, and heavy metal removal of the order of 75% to 99% for iron and chromium. CNF comprises biowaste derived from tequila production, and it has added value. Electro-spun CNF and PCL membranes can be applied as a "green" and eco-friendly filtration system for water purification.
Unify The View of Camera Mesh Network to a Common Coordinate System (2021)

The demand for object tracking (OT) applications has been increasing for the past few decades in many areas of interest, including security, surveillance, intelligence gathering, and reconnaissance. Lately, newly-defined requirements for unmanned vehicles have enhanced the interest in OT. Advancements in machine learning, data analytics, and AI/deep learning have facilitated the improved recognition and tracking of objects of interest; however, continuous tracking is currently a problem of interest in many research projects. [1] In our past research, we proposed a system that implements the means to continuously track an object and predict its trajectory based on its previous pathway, even when the object is partially or fully concealed for a period of time. The second phase of this system proposed developing a common knowledge among a mesh of fixed cameras, akin to a real-time panorama. This paper discusses the method to coordinate the cameras' view to a common frame of reference so that the object location is known by all participants in the network.
Multifunctional Fourfold Interpenetrating Diamondoid Network: Gas Separation and Fabrication of Palladium Nanoparticles (2008)

A fourfold interpenetrating diamondoid network, [{[Ni(cyclam)]2-(mtb)}(n)].8n H2O.4n DMF (1) (MTB=methanetetrabenzoate, DMF=dimethylformamide), has been assembled from [Ni(cyclam)][ClO4]2 (cyclam=1,4,8,11-tetraazacyclotetradecane) and methanetetrabenzoic acid (H4MTB) in DMF/H2O (7:3, v/v) in the presence of triethylamine (TEA). Despite the high-fold interpenetration, 1 generates 1D channels that are occupied by water and DMF guest molecules. Solid 1, after removal of guest molecules, exhibits selective gas adsorption behavior for H2, CO2, and O2 rather than N2 and CH4, suggesting possible applications in gas separation technologies. In addition, solid 1 can be applied in the fabrication of small Pd (2.0+/-0.6 nm) nanoparticles without any extra reducing or capping agent because a Ni II macrocyclic species incorporated in 1 reduces Pd II ions to Pd 0 on immersion of 1 in the solution of Pd(NO3)2.2H2O in MeCN at room temperature.
Controlled co-excitation of direct and indirect ultrafast demagnetization in Co/Pd multilayer with large perpendicular magnetic anisotropy (2018)

Ever since its discovery in 1996, ultrafast demagnetization has ignited immense research interest due to its scientific rigor and technological potential. A flurry of recent theoretical and experimental investigations has proposed direct and indirect excitation processes in separate systems. However, it still lacks a unified mechanism and remains highly debatable. Here, for the first time, we demonstrate that instead of either direct or indirect interaction, simultaneous and controlled excitation of both direct and indirect mechanisms of demagnetization are possible in a multilayers composed of repeated Co/Pd bi-layers. Moreover, we were able to modulate demagnetization time (from ~350 fs to ~750 fs) by fluence and thickness dependent indirect excitation due to heat current flowing vertically downward from top layers, which is combined with an altogether different scenario of direct irradiation. Finally, by regulating the pump wavelength we could effectively control the contribution of indirect process, which gives a confirmation to our understanding of the ultrafast demagnetization process.
Ni–Fe Competition in the Catalysis of Carbon Nanotube Growth (2006)

Abstract The paper presents the results of competitive catalysis investigation of the carbon nanotube growth in situ of the partial oxidation process of methane. The competition between Ni and Fe results in suppression of Ni catalytic activity and the growth of Fe‐capped carbon nanotubes. The discrimination is so strong that iron is segregated from Ni–Fe based stainless steel alloy leaving characteristic Ni‐enriched corrosion caverns. The process strongly depends on temperature. Depending on particular catalyst bed composition, the nanotubes of various morphology may occur. In particular, the use of perovskite‐type catalyst leads to formation of “olive‐branch”‐like peculiar carbon nanostructures.
Structure Control of a π-Conjugated Oligothiophene-Based Liquid Crystal for Enhanced Mixed Ion/Electron Transport Characteristics (2019)

Developing soft materials with both ion and electron transport functionalities is of broad interest for energy-storage and bioelectronics applications. Rational design of these materials requires a fundamental understanding of interactions between ion and electron conducting blocks along with the correlation between the microstructure and the conduction characteristics. Here, we investigate the structure and mixed ionic/electronic conduction in thin films of a liquid crystal (LC) 4T/PEO4, which consists of an electronically conducting quarterthiophene (4T) block terminated at both ends by ionically conducting oligoethylenoxide (PEO4) blocks. Using a combined experimental and simulation approach, 4T/PEO4 is shown to self-assemble into smectic, ordered, or disordered phases upon blending the materials with the ionic dopant bis(trifluoromethane)sulfonimide lithium (LiTFSI) under different LiTFSI concentrations. Interestingly, at intermediate LiTFSI concentration, ordered 4T/PEO4 exhibits an electronic conductivity as high as 3.1 × 10<sup>-3</sup> S/cm upon being infiltrated with vapor of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) molecular dopant while still maintaining its ionic conducting functionality. This electronic conductivity is superior by an order of magnitude to the previously reported electronic conductivity of vapor co-deposited 4T/F4TCNQ blends. Our findings demonstrate that structure and electronic transport in mixed conduction materials could be modulated by the presence of the ion transporting component and will have important implications for other more complex mixed ionic/electronic conductors.
A novel plasma source for surface chemical patterning and spatial control of cell adhesion. (2004)

The aim of this work was to develop and characterise a plasma source, which could be used to modify polymeric surfaces and incorporate well-defined regions of controlled chemistry.&#13;\nA novel plasma treatment system in which the ion energy and flux at the substrate can be independently controlled was developed. Argon plasma was separated into two regions with stainless steel meshes. The ion energy and flux in the substrate processing region was manipulated by applying an electrical bias to these meshes. This 'tailored' plasma was used to investigate the relative contributions of ions and vacuum ultra-violet (VUV) photons in the plasma treatment of polystyrene (PS). The level of surface modification induced by the plasma treatment was ascertained by X-ray photoelectron spectroscopy (XPS). Isolation of the VUV component by use of the biased mesh system revealed that in this system, these photons were the primary species causing oxygen incorporation into the PS surface.&#13;\nThe modified PS was successfully employed as a culture substrate for bone marrow stromal cells (BMSC). By use of transmission electron microscopy (TEM) grids placed on the PS surface during exposure to the source, micron scale surface chemical patterns were produced. The pattern of hydrophilic and hydrophobic regions was visualised by condensing water onto the surface. On these substrates, bone marrow stromal cells (BMSC) formed patterns with features as small as 5 μm.&#13;\nThe ability to independently control the ion energy and flux at the substrate has enabled the identification of the primary plasma species involved in surface modification of PS in this system. Combined with simple patterning technology, the novel plasma source has been used to produce well-defined micron scale chemical patterns on PS. The biological utility of such patterned substrates has been demonstrated by spatial control over cell attachment and spreading.
Effect of the Metabotropic Glutamate Receptor Type 5 Negative Allosteric Modulator Dipraglurant on Motor and Non-Motor Symptoms of Parkinson’s Disease (2023)

Parkinson's disease (PD) patients suffer not only from the primary motor symptoms of the disease but also from a range of non-motor symptoms (NMS) that cause disability and low quality of life. Excessive glutamate activity in the basal ganglia resulting from degeneration of the nigrostriatal dopamine pathway has been implicated in the motor symptoms, NMS and dyskinesias in PD patients. In this study, we investigated the effects of a selective mGlu5 negative allosteric modulator (NAM), dipraglurant, in a rodent motor symptoms model of PD, but also in models of anxiety, depression and obsessive-compulsive disorder, all of which are among the most prevalent NMS symptoms. Dipraglurant is rapidly absorbed after oral administration, readily crosses the blood-brain barrier, and exhibits a high correlation between plasma concentration and efficacy in behavioral models. In vivo, dipraglurant dose-dependently reduced haloperidol-induced catalepsy, increased punished licks in the Vogel conflict-drinking model, decreased immobility time in the forced swim test, decreased the number of buried marbles in the marble-burying test, but had no effect on rotarod performance or locomotor activity. These findings suggest that dipraglurant may have benefits to address some of the highly problematic comorbid non-motor symptoms of PD, in addition to its antidyskinetic effect demonstrated in PD-LID patients.
Mitigation of excessive acoustic compliance and trapped volume insertion gain in ear-sealing listening devices: Toward a safe, full-frequency-response hearing aid (2013)

When a sound producing device is sealed in the ear canal, acoustical compliances resulting from pressurization of the trapped volume lead to dramatic boosts in SPL, up to 60 dB, especially at low frequencies. This has been found to result in listener fatigue, and to trigger the acoustic (stapedius) reflex, as well as producing temporary threshold shift. Repeated exposure can cause temporary threshold shift to become permanent. Hearing aids avoid this problem by suppressing frequencies below about 300 Hz, where the effect is most pronounced. Other devices, such as ear buds and professional in-ear monitors, offer wider frequency response and thus expose listeners to potentially dangerous sound pressures. The acoustical compliance and trapped volume insertion gain is measured for ear buds and hearing aids by comparing SPL, measured in the ear canal, for sealed and unsealed conditions. New ear sealing technology is demonstrated that allows release of the excess acoustical compliance and thus mitigates the trapped volume insertion gain: (1) a vent covered with a flexible membrane, and (2) an inflatable bubble seal. This novel technology has allowed the creation of a hybrid device with hearing aid functionality that also has the broad frequency response of professional in-ear monitors.
Static and Dynamic Light Scattering Near the Liquid Crystalline Blue Phase III ? Isotropic Liquid Critical Point (1997)

Static and dynamic light scattering measurements, all using circularly polarized light, are used to investigate the third blue phase to isotropic liquid critical point in a mixture of S, S–$4''$(methylbutyl)phenyl–4'–(methylbutyl)biphenylcarboxylate (S,S-MBBPC) and its racemate. The intensity of light scattering and the relaxation time for the most strongly fluctuating chiral mode are found to be significantly greater than in a supercritical mixture of S,S-MBBPC. While the increase is substantial, there is no indication that any true divergence in these quantities is present. The results can qualitatively be explained by the simple phenomenological theory of Lubensky and Stark [3], which places this transition in the same universality class as the liquid-gas transition.
Resource allocation for green communication in relay-based cellular networks (2012)

The energy efficiency of wireless communication systems and their impact on the environment have been largely ignored in the past during the design and implementation of existing wireless networks. Increasing energy-consumption in these networks has been recently identified as a global problem due to its adverse effects on the environment and increasing cost of operation [1]–[5]. Cellular systems constitute a major part of wireless communications and their use in daily life is increasing more than ever [6]. Mobile devices are expected to surpass personal computers as the main web-accessing devices in the near future [7]. Therefore, mobile communications can contribute up to 15-20% of the overall energy-consumption in information and communication technologies (ICT) [7], which can no longer be disregarded.
Measurement of cystatin C functional activity in the cerebrospinal fluid of amyotrophic lateral sclerosis and control subjects (2013)

Our data demonstrate the successful measurement of the functional activity of cystatin C in the CSF, and show that total cystatin C activity can be inferred from its total protein concentration. Our results also suggest that cystatin C is the major cysteine protease inhibitor in human CSF and altered CSF cystatin C concentration may play a role in the pathobiology of ALS and other neurological diseases.