gebhart/patrepeval huggingface dataset:
Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands (2015)

The emission properties of a series of cationic Pt(II) complexes bearing neutral tridentate 2,6-bis-(1H-1,2,3-triazol-5-yl)pyridine and monoanionic ancillary ligands (Cl(-) or CN(-)) are described. By varying the substitution pattern on the 1,2,3-triazole moieties of the tridentate luminophore and the nature of the ancillary ligand, we were able to tune the intermolecular interactions between the complexes and therefore the electronic interactions between the metal centers. Indeed, all the compounds possessing Cl(-) as ancillary ligand are nonluminescent at room temperature, while the complexes containing CN(-) are luminescent. Interestingly, the π-accepting nature of this ancillary ligand induces Pt(II)-Pt(II) interactions irrespectively of bulky substitution patterns on the tridentate ligand.
Supplementary Data from Nrf2 and Keap1 Abnormalities in Non–Small Cell Lung Carcinoma and Association with Clinicopathologic Features (2023)

Supplementary Data from Nrf2 and Keap1 Abnormalities in Non–Small Cell Lung Carcinoma and Association with Clinicopathologic Features
Threshold and Cross Section of the Reaction of C+ with Molecular Hydrogen (1972)

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AFM topography and friction studies of hydrogen-bonded bilayers of functionalized alkanethiols (2010)

Atomic Force Microscope (AFM) assisted nanografting was exploited to construct—in a liquid—well-defined nanoscale patches of amino- and carboxyl-terminated alkanethiols in a SAM matrix on an atomically flat gold (Au(111)) surface. By means of AFM the nanografted patches of these thiols were studied in detail by a combination of height and quantitative lateral friction measurements. The functionalized thiols form well-ordered self-assembled bilayers, with uniformly oriented and packed molecules, consisting of a first layer adsorbed to the gold surface via thiol–gold bonds, and a second layer stably bound to the first via COOH–HOOC or NH2–H2N intermolecular hydrogen bonds.
Coastal Landfills and Rising Sea Levels: A Challenge for the 21st Century (2021)

Populated coastal areas worldwide have a legacy of numerous solid waste disposal sites. At the same time, mean sea level is rising and likely to accelerate, increasing flooding and/or erosion. There is therefore concern that landfill sites located at and near the coast pose a growing risk to the environment from the potential release of liquid and solid waste materials. This paper aims to assess our present understanding of this issue as well as research and practice needs by synthesizing the available evidence across a set of developed country cases, comprising England, France, Germany, the Netherlands, and the United States (Florida). Common insights gained here include: (1) a lack of data and limited appreciation of waste release from coastal landfill as a potential problem; (2) recognition of the scale and diversity of coastal landfill waste within a range of generic settings (or situations); and (3) a lack of robust protocols that allow the impact of different categories of waste release to the coast to be assessed in a consistent and evidence-based manner, most particularly for solid waste. Hence, a need for greater understanding of the following issues is identified: (1) the amount, character and impact of waste that could be released from landfill sites; (2) the acceptability and regulation of waste eroding from coastal landfills; (3) present and future erosion rates at landfill sites suggesting the need for more monitoring and relevant predictive tools; (4) the full range of possible management methods for dealing with waste release from landfills and the science to support them; and (5) relevant long-term funding mechanisms to address this issue. The main focus and experience of current management practice has been protection/retention, or removal of landfills, with limited consideration of other feasible solutions and how they might be facilitated. Approaches to assess and address solid waste release to the marine/coastal environment represent a particular gap. Lastly, as solid waste will persist indefinitely and sea levels will rise for many centuries, the long timescale of this issue needs wider appreciation and should be included in coastal and waste policy.
Measurement of brain activity with bolus administration of contrast agent and gradient-echo MR imaging. (1993)

This study was performed to measure changes in cerebral blood volume (CBV) associated with visual activation by use of bolus administration of contrast agent and conventional, clinically configured magnetic resonance (MR) hardware and software. Fast gradient-recalled acquisition in the steady state technique was used to study five healthy subjects during visual activation and a control dark state. MR images were obtained every 2.048 seconds for 2 minutes. A bolus of gadopentetate dimeglumine was injected during visual stimulation and darkness. Cine images produced from the series of rapid images clearly depicted arterial, capillary, and venous phases. Analysis of serial concentration maps derived from the rapid images revealed expected differences between the relative CBV of gray matter and that of white matter, as well as significantly increased relative CBV in calcarine cortex during visual activation versus the control state (mean increase, 15.24%; range, 6.41%-27.78%; P < .05). These results confirm those reported in echo-planar imaging studies and demonstrate that brain function can be assessed with the bolus method by means of MR imaging hardware and software with conventional clinical configurations.
Supplementary Data from Functional Precision Medicine Provides Clinical Benefit in Advanced Aggressive Hematologic Cancers and Identifies Exceptional Responders (2023)

&lt;p&gt;Supplementary Data containing the statistical analysis plan, Supplemental Figures 1-6 and Supplemental Tables 1 and 2&lt;/p&gt;
Kinetics of Methyl t -Butyl Ether Cometabolism at Low Concentrations by Pure Cultures of Butane-Degrading Bacteria (2001)

Butane-oxidizing Arthrobacter (ATCC 27778) bacteria were shown to degrade low concentrations of methyl t-butyl ether (MTBE; range, 100 to 800 microg/liter) with an apparent half-saturation concentration (K(s)) of 2.14 mg/liter and a maximum substrate utilization rate (k(c)) of 0.43 mg/mg of total suspended solids per day. Arthrobacter bacteria demonstrated MTBE degradation activity when grown on butane but not when grown on glucose, butanol, or tryptose phosphate broth. The presence of butane, tert-butyl alcohol, or acetylene had a negative impact on the MTBE degradation rate. Neither Methylosinus trichosporium OB3b nor Streptomyces griseus was able to cometabolize MTBE.
Heterogeneous integration approach based on flip-chip bonding and misalignment self-correction elements for electronics-optics integration applications (2012)

This paper presents a high precision bonding approach, capable of submicron alignment accuracy, based on the thermosonic flip-chip bonding technique and misalignment self-correction elements. The precision of the bonding technique is guaranteed by using of misalignment self-correction bump (convex) and hollow (concave) elements. Metal cone bump and conductive sloped hollow bonding pad elements are created using micro-machining techniques, on a chip specimen and substrate, respectively. The chip and substrate are bonded face-to-face using of an ultrasonic-enhanced flip-chip bonder. By introducing of misalignment self-correction elements, repeatable bonding accuracies of less than 500 nm were confirmed through experimental investigation. Bond properties, including electrical and mechanical properties, are also characterized to confirm the success of the bonding approach. With the obtained results, the proposed bonding approach is capable of being use in electronics-optics heterogeneous integration applications.
Role of host excimer formation in the degradation of organic light-emitting devices (2020)

Host-guest structures are used in most state-of-the-art organic light-emitting devices, with the host transporting charge and confining excitons on the guest. While the host often plays a critical role in achieving high efficiency and stability, predicting and understanding these effects is a persistent design challenge which slows the discovery of new active materials. Closely related host molecules, which differ only by several functional groups, often show drastically different degradation behavior. Here, we explore this observation for the archetypical carbazole hosts 4′-bis(N-carbazolyl)-1,1′-biphenyl (CBP) and 4,4′-bis(carbazole-9-yl)-2,2′-dimethylbiphenyl (CDBP). While devices based on these hosts show similar efficiencies, CDBP-based devices show a tenfold lower lifetime than CBP devices when paired with phosphorescent or fluorescent emitters. Using optically and electrically pumped degradation tests, mass spectrometry, compositional analysis, and low-temperature phosphorescence spectroscopy, the lifetimes of devices containing CDBP are shown to correlate with the formation of intermolecular triplet excimer states. These findings suggest that candidate host molecules should be screened for excimer formation as host excimers may aggravate device degradation and lower device stability.
Structure of Heat-Induced β-Lactoglobulin Aggregates and their Complexes with Sodium-Dodecyl Sulfate (2008)

We report on the conformation of heat-induced bovine beta-lactoglobulin (betalg) aggregates prepared at different pH conditions, and their complexes with model anionic surfactants such as sodium dodecyl sulfate (SDS). The investigation was carried out by combining a wide range of techniques such as ultra small angle light scattering, static and dynamic light scattering, small angle neutron scattering, small-angle X-ray scattering, electrophoretic mobility, isothermal titration calorimetry (ITC) and transmission electron microscopy. Three types of aggregates were generated upon heating betalg aqueous dispersions at increasing pH from 2.0 to 5.8 to 7.0: rod-like aggregates, spherical aggregates, and worm-like primary aggregates, respectively. These aggregates were shown not only to differ for their sizes and morphologies, but also for their internal structures and fractal dimensions. The main differences between aggregates are discussed in terms of the ionic charge and conformational changes arising for betalg at different pHs. The formation of complexes between SDS and the various protein aggregates at pH 3.0 was shown to occur by two main mechanisms: at low concentration of SDS, the complex formation occurs essentially by ionic binding between the positive residues of the protein and the negative sulfate heads of the surfactant. At complete neutralization of charges, precipitation of the complexes is observed. Upon further increase in SDS concentration, complex formation of SDS and the protein aggregates occurs primarily by hydrophobic interactions, leading to (i) the formation of an SDS double layer around the protein aggregates, (ii) the inversion of the total ionic charge of each individual protein aggregate, and (iii) the complete redispersion of the protein aggregate-SDS complexes in water. Remarkably, the SDS double layer around the protein aggregates provides an efficient protective shield, preventing precipitation of the aggregates at any possible pH values, including those values corresponding to the isoelectric pH of the aggregates.
G3, GENETICS, and the GSA: Two Journals, One Mission (2011)

With the June launch of its open access journal G3: Genes | Genomes | Genetics, the Genetics Society of America (GSA) now offers two peer-edited journals. The missions of G3 and GENETICS are fundamentally the same: to provide a forum for timely communication of the latest findings in genetics, selected by editors who are the authors’ peers. But the scopes of the two journals are different. Why offer two journals?
<title>Micromirrors with single crystal silicon support structures</title> (1996)

A novel process for fabrication of torsional micro-mirrors with large dimensions (300 X 240 micrometers and 150 X 120 micrometers ) is presented. The mirrors consist of a sputtered aluminum film on a layer of supporting oxide mounted on fully suspended single crystal silicon grids. The grids have an aspect ratio of 7:1 in order to provide a stiff backbone and to ensure flatness of the mirror surface. The mirrors thus do not bend due to the internal stresses. A new idea of actuation of torsional structures is also presented in this paper. Vertical near-comb type actuators were fabricated to drive the torsional structures.
HDAC Inhibition Suppresses Primary Immune Responses, Enhances Secondary Immune Responses, and Abrogates Autoimmunity During Tumor Immunotherapy (2013)

Histone deacetylase inhibitors (HDACi) can modulate innate antiviral responses and render tumors more susceptible to oncolytic viruses (OVs); however, their effects on adaptive immunity in this context are largely unknown. Our present study reveals an unexpected property of the HDACi MS-275 that enhances viral vector-induced lymphopenia leading to selective depletion of bystander lymphocytes and regulatory T cells while allowing expansion of antigen-specific secondary responses. Coadministration of vaccine plus drug during the boosting phase focuses the immune response on the tumor by suppressing the primary immune response against the vaccine vector and enhancing the secondary response against the tumor antigen. Furthermore, improvement of T cell functionality was evident suggesting that MS-275 can orchestrate a complex array of effects that synergize immunotherapy and viral oncolysis. Surprisingly, while MS-275 dramatically enhanced efficacy, it suppressed autoimmune pathology, profoundly improving the therapeutic index.
Indolylarylsulfones Carrying a Heterocyclic Tail as Very Potent and Broad Spectrum HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors (2014)

We synthesized new indolylarylsulfone (IAS) derivatives carrying a heterocyclic tail at the indole-2-carboxamide nitrogen as potential anti-HIV/AIDS agents. Several new IASs yielded EC50 values <1.0 nM against HIV-1 WT and mutant strains in MT-4 cells. The (R)-11 enantiomer proved to be exceptionally potent against the whole viral panel; in the reverse transcriptase (RT) screening assay, it was remarkably superior to NVP and EFV and comparable to ETV. The binding poses were consistent with the one previously described for the IAS non-nucleoside reverse transcriptase inhibitors. Docking studies showed that the methyl group of (R)-11 points toward the cleft created by the K103N mutation, different from the corresponding group of (S)-11. By calculating the solvent-accessible surface, we observed that the exposed area of RT in complex with (S)-11 was larger than the area of the (R)-11 complex. Compounds 6 and 16 and enantiomer (R)-11 represent novel robust lead compounds of the IAS class.
Differential scanning calorimetry of α2-macroglobulin and α2-macroglobulin-proteinase complexes (1983)

Differential scanning calorimetry is shown to detect substantial structural alterations occurring on the association of proteinases with the serum glycoprotein alpha 2-macroglobulin. At pH 7.5, the thermally induced unfolding of the macroglobulin occurs at approx. 60 degrees C with a transition enthalpy of 17 J/g. Association of active thermolysin, trypsin and papain shifts the transition temperature to 77 degrees C (transition enthalpy 5 J/g), indicating that a substantial conformational change accompanies the binding event. The stoicheiometry of the thermolysin--alpha 2-macroglobulin association producing this change appears to be unity, implying the presence of co-operative subunit interactions in the mechanism of association. The calorimetric method provides a novel approach for the evaluation of conformational variants induced on protein-protein association or pre-existing in the purified macroglobulin.
DESIGN FOR PEOPLE EXPERIENCING FUNCTIONAL LIMITATIONS (2021)

Accessible design is actually design for a much broader range of people than only those with disabilities. The topic of design for human disability and aging is thought of as a special topic, a vertical market, or a special application. Three key aspects of user-centered design are: involving users from the start of the process; using iterative approaches to design; and using metrics to measure success. A general characteristic of good universal design is that it benefits many more people without disabilities than those with disabilities. In considering design for people with functional limitations, it is important to examine their abilities both with and without tools and strategies that they normally employ. Laws, regulations, and standards bridge the gap between the research into understanding the needs of people experiencing functional limitations, and actually getting those research-based design solutions into real-world use.
Analysis of a biologically realistic model for saccade-countermanding tasks (2007)

In saccade-countermanding tasks, fixation neurons in the frontal eye fields or superior colliculus have high activity during fixation period, sending inhibition to the (build-up) movement neurons. Upon fixation offset and a simultaneous presentation of a Go signal or target, the movement neurons, with response fields where the target lies, exhibit ramping activity. If this ramping activity reaches a certain threshold, a saccade will be made toward the target. However, when a Stop signal appears briefly after target onset, the reactivation of the fixation neurons may suppress the activity of the movement neurons before it reaches threshold, thus producing successful suppression of saccade. The time between onset of the Go and Stop signals is called the stop-signal delay, which is varied by the experimentalists.In this work, we construct a biologically realistic model of saccade-countermanding tasks. The model consists of a population of movement neurons and a population of fixation neurons. Using phase-plane analysis, we show, under certain sets of network parameters, that even if the stop signal occurs before the movement neuronal activity reaches threshold, a saccade can still subsequently occur. We further investigate how inhibitory control of saccades optimizes reward rate, and how this depends on the stop-signal delay, the probability of target presentation, and the probability of having a stop signal within a block of trials.
IgG subclass reactivity to human cardiac myosin in cardiomyopathy patients is indicative of a Th1-like autoimmune disease (1999)

Studies performed in mice together with the demonstration of increased levels of heart-specific autoantibodies, cytokines and cytokine receptors in sera from cardiomyopathy (CMP) patients argued for a pathogenic role of autoimmune mechanisms in CMP. This study was designed to analyse the presence of IgG anti-heart antibodies in sera from patients suffering from hypertrophic and dilatative forms of CMP as well as from patients with ischaemic heart disease and healthy individuals. Patients' sera were analysed for IgG reactivity to Western-blotted extracts prepared from human epithelial and endothelial cells, heart and skeletal muscle specimens as well as from Streptococcus pyogenes. The IgG subclass (IgG1-4) reactivity to purified human cardiac myosin was analysed by ELISA. While sera from CMP patients and healthy individuals displayed comparable IgG reactivity to a variety of human proteins, cardiac myosin represented the prominent antigen detected strongly and preferentially by sera from CMP patients. Pronounced IgG anti-cardiac myosin reactivity was frequently found in sera from patients with dilatative CMP and reduced ventricular function. ELISA analyses revealed a prominent IgG2/IgG3 anti-cardiac myosin reactivity in CMP sera, indicating a preferential Th1-like immune response. Elevated anti-cytomegalovirus, anti-enterovirus IgG titres as well as IgG reactivity to nitrocellulose-blotted S. pyogenes proteins were also frequently observed in the group of CMP patients. If further work can support the hypothesis that autoreactivity to cardiac myosin represents a pathogenic factor in CMP, specific immunomodulation of this Th1- towards a Th2-like immune response may represent a promising therapeutic strategy for CMP.
The effect of extracorporeal shock wave lithotripsy (ESWL) on electrophysiological parameters across abdominal frog skin: Real time observations (1990)

The side effects of ESWL, such as increased sodium excretion and proteinuria, may be explained by structural and functional changes that lead to an increase in permeability across the renal tubule. This preliminary study was undertaken to examine the feasibilty of such an explanation. Frog skin was used in this investigation, since sodium transport across it is similar to that of the distal convoluted tubule in the kidney. Exposure of the skin to a single shock at 20-kV electrode voltage caused a significant but reversible decrease in transepithelial membrane potential, a decrease in ionic current (primarily sodium), and an increase in total ionic permeability. It is of interest to note here that these results are similar to those reported by Dinno et al. [Ultrasound Med. Biol. 15, 461–470 (1989)] on the effect of therapeutic ultrasound (1 MHz, 60–480 mW/cm2) on frog skin. Those similarities suggest a common mechanism. On the basis of this observation and other unpublished results, acoustic cavitation, and consequent free radical formation, seem to be an important factor contributing to the observed side effects. [Work supported by NIH under Grant No. 5-RO1-CA-39374-05. We gratefully acknowledge Dornier for making available their experimental lithotripter.]
Stereospecific Ring-Opening Metathesis Polymerization of Norbornadienes Employing Tungsten Oxo Alkylidene Initiators (2014)

We report here the polymerization of several 7-isopropylidene-2,3-disubstituted norbornadienes, 7-oxa-2,3-dicarboalkoxynorbornadienes, and 11-oxa-benzonorbornadienes with a single tungsten oxo alkylidene catalyst, W(O)(CH-t-Bu)(OHMT)(Me2Pyr) (OHMT = 2,6-dimesitylphenoxide; Me2Pyr = 2,5-dimethylpyrrolide) to give cis, stereoregular polymers. The tacticities of the menthyl ester derivatives of two polymers were determined for two types. For poly(7-isopropylidene-2,3-dicarbomenthoxynorbornadiene) the structure was shown to be cis,isotactic, while for poly(7-oxa-2,3-dicarbomenthoxynorbornadiene) the structure was shown to be cis,syndiotactic. A bis-trifluoromethyl-7-isopropylidene norbornadiene was not polymerized stereoregularly with W(O)(CHCMe2Ph)(Me2Pyr)(OHMT) alone, but a cis, stereoregular polymer was formed in the presence of 1 equiv of B(C6F5)3.
Maternal Ethanol Exposure Induces Transient Impairment of Umbilical Circulation and Fetal Hypoxia in Monkeys (1982)

When ethanol was administered intravenously to pregnant monkeys, a transient but marked collapse of umbilical vasculature was observed uniformly within about 15 minutes. The ethanol-induced impairment of umbilical circulation produced severe hypoxia and acidosis in the fetus; recovery occurred during the succeeding hour. This striking interruption of feto-placental circulation may explain one of the mechanisms of mental retardation, a frequent manifestation in children afflicted with fetal alcohol syndrome.