gebhart/patrepeval huggingface dataset:
Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers (2013)

Existing models for the electronic properties of conjugated polymers do not capture the spatial arrangement of the disordered macromolecular chains over which charge transport occurs. Here, we present an analytical and computational description in which the morphology of individual polymer chains is dictated by well-known statistical models and the electronic coupling between units is determined using Marcus theory. The multiscale transport of charges in these materials (high mobility at short length scales, low mobility at long length scales) is naturally described with our framework. Additionally, the dependence of mobility with electric field and temperature is explained in terms of conformational variability and spatial correlation. Our model offers a predictive approach to connecting processing conditions with transport behavior.
Protective Effects of <em>Oenothera Biennis</em> Against Hydrogen Peroxide-Induced Oxidative Stress and Cell Death in Skin Keratinocytes (2020)

Background: Oenothera biennis (evening primrose) produces bioactive substances with a diverse range of pharmacological functions. However, it is currently unknown whether extract prepared from the aerial parts of O. biennis (APOB) can protect the skin against oxidative stress. To investigate the protective effects of APOB against oxidative stress-induced damage in human skin keratinocytes (HaCaT) and elucidate the underlying mechanisms. Methods: We pretreated HaCaT cells with various concentrations of APOB or the antioxidant N-acetyl-L-cysteine before applying H2O2. We then compared the cell viability, intracellular reactive oxygen species (ROS) production, and DNA and mitochondrial damage between pretreated and untreated control cells using a range of assays, flow cytometry, and Western blot analysis and also examined the reducing power and DPPH free radical-scavenging activity of APOB. Results: APOB pretreatment significantly increased cell viability, effectively attenuated H2O2-induced comet tail formation, and inhibited H2O2-induced phosphorylation of the histone &amp;gamma;H2AX, as well as the number of apoptotic bodies and Annexin V-positive cells. APOB was found to have a high reducing power and DPPH radical-scavenging activity and also exhibited scavenging activity against intracellular ROS accumulation and restored the loss of mitochondrial membrane potential caused by H2O2. APOB pretreatment almost totally reversed the enhanced cleavage of caspase-3, the degradation of poly (ADP-ribose)-polymerase (PARP), DNA fragmentation that usually occurs in the presence of H2O2 and increased the levels of heme oxygenase-1 (HO-1), a potent antioxidant enzyme that is associated with the induction of nuclear factor-erythroid 2-related factor 2 (Nrf2). Conclusions: APOB can protect HaCaT cells from H2O2-induced DNA damage and cell death by blocking cellular damage related to oxidative stress via a mechanism that affects ROS elimination and by activating the Nrf2/HO-1 signaling pathway.
Effects of Reoxidation Process on Positive Temperature Coefficient of Resistance Properties of Sm-doped Ba0.85Ca0.15TiO3 (2007)

The positive temperature coefficient resistance (PTCR) effects of Sm-doped BaTiO3 have been studied in terms of annealing temperature, annealing time, and additive content. (Ba0.85-xCa0.15Smx)0.997TiO3 samples were prepared by a liquid mix method developed by Pechini. The specimen was sintered in a reducing atmosphere (PO2<10-9 atm) at 1350 °C, followed by annealing processes at 900–1200 °C and PO2=1 atm. Room-temperature resistances were dependent on the donor concentration. At 0.5 mol % Sm, the electrical compensation mode of the donor impurity switched from electrons to cation vacancies. The specimens doped with Sm≤0.5 mol % showed low resistivities and large grains, whereas high resistivities and small grains were observed with Sm>0.5 mol %. The oxidation degree of grain boundaries increased with annealing temperature and time, leading to increased room-temperature resistances. This implies that the acceptor-state density at grain boundaries increases the potential barrier height.
Outcome After Reinfection Following Reimplantation Hip Arthroplasty (1997)

Between 1976 and 1992, reinfection developed in 34 patients treated for an infected total hip arthroplasty with removal of the prosthesis and implantation of another prosthesis. These patients included 15 men and 19 women with a mean age of 62 years. Infection recurred an average of 2.2 years after reimplantation of the new prosthesis. Followup after the diagnosis of reinfection averaged 5.1 years. Reinfection after an attempt at reimplantation total hip arthroplasty was seldom compatible with a good functional outcome. Resection arthroplasty was reliable in eradicating reinfection but led to poor function and was associated with persistent pain. Although reimplantation of a third prosthesis allowed 3 patients to achieve an excellent result, the 8 hips that failed a third reimplantation attempt had the worst functional results in this study. The results from the present series suggest that reinfection after an attempt at reimplantation is a contraindication to further attempts at a 1-stage reimplantation of another prosthesis. Those patients in whom the same single microorganism has been identified from the failed primary total hip and from the failed first reimplantation, however, may be reasonable candidates for an attempt at a 2-stage reimplantation of a third prosthesis, particularly when a deficiency in prior antibiotic therapy or surgical technique can be identified.
Development of Premixed Low-Temperature Diesel Combustion in a HSDI Diesel Engine (2008)

&lt;div class="htmlview paragraph"&gt;The pursuit of new combustion concepts or modes is ongoing to meet future emissions regulations and to eliminate or at least to minimize the burden of aftertreatment systems. In this research, Premixed Low Temperature Diesel Combustion (PLTDC) was developed using a single-cylinder engine to achieve low NOx and soot emissions while maintaining fuel efficiency. Operating conditions considered were 1500 rpm, 3 bar and 6 bar IMEP. The effects of injection timing, injection pressure, swirl ratio, EGR rate, and multiple injection strategies on the combustion process have been investigated.&lt;/div&gt; &lt;div class="htmlview paragraph"&gt;The results show that low NOx and soot emissions can be obtained at both operating conditions without sacrificing the fuel efficiency.&lt;/div&gt; &lt;div class="htmlview paragraph"&gt;Low NOx and soot emissions are achieved through minimization of peak temperatures during the combustion process and homogenization of in-cylinder air-fuel mixture.&lt;/div&gt;
Large-gamut color and spectral display using sub-wavelength gratings (2016)

As content creation, editing, approval, prototyping, manufacturing and consumption become ever more distributed, the ability to display a broad variety of colors becomes increasingly more important. Displays that use RGB filters or even backlights cannot span all spectra or even just colors that occur in nature. To improve the accuracy of spectral and color reproduction, there have been attempts to include additional color primaries in displays. Existing solutions, however, impact cost, scalability, or spatial resolution and are predominantly applicable to projections system. We propose an approach based on combining diffraction gratings extractors (Fattal et al., 2013) and the HANS imaging pipeline (Morovi&#x10D; et al., 2011) initially developed for printing. This combination offers access to a very large color and spectral gamut with the same backlights as commercially used today.
Supplementary Figure S2 from <i>Nedd9</i> Restrains Autophagy to Limit Growth of Early Stage Non–Small Cell Lung Cancer (2023)

&lt;p&gt;Histopathological assessment of KP and KPN lungs&lt;/p&gt;
Turn-off Failures in Individual (1996)

Abstruct- A turn-off failure mode in individual MOScontrolled thyristors (MCT's), initiated by a long gate voltage rise-time, is identified and analyzed. It is shown to be caused by turn-off current crowding in the MCT. In addition, a differential failure mode in paralleled devices is demonstrated in which the slower of the two MCT's fails to turn off. This is caused by the increase in anode current through the slower device and the decrease in gate voltage rise-time due to the MCT's Miller capacitance.
Time-Resolved IR Detection and Study of an Iminooxirane Intermediate (2004)

[reaction: see text] Iminooxirane 4 has been generated by the reaction of phenylchlorocarbene (2) with phenyl isocyanate (3) and studied by nanosecond time-resolved infrared spectroscopy. Iminooxirane 4 (1830 cm(-1)) isomerizes to alpha-lactam 5 (1880 cm(-1)) at an observed rate of 3 x 10(4) s(-1). Peak assignments were confirmed by a combination of B3LYP calculations and isotopic labeling. An acyclic transition state was found computationally for the isomerization reaction.
Metal Pillar Interconnection Topology for Bonded Two-Terminal Multijunction III–V Solar Cells (2013)

Metal-interconnected multijunction solar cells offer one pathway toward efficiencies in excess of 50%. However, if a three- or four-terminal configuration is used, optical losses from the interfacial grid can be considerable. Here, we examine an alternative that provides an optimal interconnection for two-terminal bonded devices. This “pillar-array” topology is optimized by minimizing the sum of all power losses, including shadow losses and numerically computed electrical losses. Numerical modeling is used to illustrate the benefit of a pillar-array interfacial metallization for some two-terminal configurations.
Table S3 from The MD Anderson Prostate Cancer Patient-derived Xenograft Series (MDA PCa PDX) Captures the Molecular Landscape of Prostate Cancer and Facilitates Marker-driven Therapy Development (2023)

&lt;p&gt;List of 3351 genes differentially regulated between MDA PCa 144-13 and MDA PCa 144-4&lt;/p&gt;
Toward >25% Efficient Monolithic Epitaxial GaAsP/Si Tandem Solar Cells (2019)

We report here on progress made in the development of >20% efficient monolithic epitaxial III-V/Si tandem solar cells. Following our prior demonstration of a GaAs0.75P0.25/Si tandem cell with verified AM1.5G efficiency of 20.1%, we have undertaken intensive efforts aimed at optimization of the top and bottom subcells, involving both materials quality improvement and detailed device structure refinement. To date we have thus demonstrated 21.8% AM1.5G GaAs0.75P0.25/Si tandem cells making use of an optimized, but still defect-limited GaAsP top cell combined with a simple diffusion-processed (emitter and back-surface field) Si bottom cell. With recent development of a low dislocation density III-V-on-Si epitaxial materials platform, as well as bottom cell enhancements for photon management, analytical performance loss analysis and efficiency projections indicate that >25% is achievable in the near-term, and 30% within reach with additional holistic optimization.
GOLD KINETICS UNDER LONG-TERM TREATMENT WITH GOLD(I) DISODIUM THIOMALATE: A COMPARISON IN THREE DIFFERENT MOUSE STRAINS (1994)

Following weekly i.m. injections of gold(I) disodium thiomalate (GST), mice of strains A.SW and C57BL/6 develop adverse immune reactions, whereas DBA/2 mice do not. We have studied the pharmaco-toxicokinetics of gold in these strains under chronic GST treatment. Our results indicate that the susceptible strains A.SW and C57BL/6 accumulate significantly higher gold concentrations in the liver and spleen compared to the resistant strain DBA/2. In the kidney of DBA/2 mice, gold concentrations persisted at a plateau level, whereas in A.SW and, particularly, C57BL/6 mice early peaks of gold concentrations were followed by a transient decrease, suggestive of tubular toxicity. Whereas splenic T and B cells failed to contain measurable gold concentrations in all three strains, splenic and peritoneal macrophages contained relatively high levels, more so in the susceptible strain C57BL/6 than in the resistant DBA/2 strain. This finding is consistent with the concept that macrophages play an important role in both the adverse and the beneficial effects of gold drugs.
Combinatorial Polymer Scaffold Libraries for Screening Cell‐Biomaterial Interactions in 3D (2008)

A combinatorial method for screening cell–biomaterial interactions in 3D is presented; polymeric, salt-leached scaffolds with varied composition and properties are present in a 96-well plate. Previous high-throughput approaches for screening cell–material interactions have focused on planar 2D surfaces or films. However, biomaterials are commonly used in a 3D scaffold format and cells behave more physiologically when cultured in 3D.
Changes in blood chemistry and hematology variables during aging in captive rhesus macaques (Macaca mulatta) (2001)

Identifying changes with age in physiological variables of captive nonhuman primates will aid in the proper treatment and clinical diagnosis of these animals, as well as enhance our understanding of nonhuman primate models for human aging. Information for 33 physiological variables was obtained from the Primate Aging Database, a multi-centered database being developed for clinical and research use. Using multiple regression analyses, we investigated the relationship of age to hematological variables, blood chemistry and body weight in 345 captive rhesus monkeys (age range 7-30 years) from three different primate research facilities. The analyses revealed that 15 of these variables show a significant relationship with chronological age and are altered in older as compared with adult animals. Here we present the first phase of a project that will: a) identify changes with age in physiological variables among adult captive rhesus macaques; and b) characterize normative values for the aging rhesus population.
Assessing the influence of fieldshaper material on magnetic pulse welded interface of Al/Cu joints (2019)

Fieldshaper (FS) is a widely used component in magnetic pulse forming and welding to improve the efficiency of the process. It enables to increase the magnetic pressure experienced by the workpieces during forming and welding. Recent developments in this subject focuses to increase the life time of the fieldshaper and to improve the efficiency by introducing shape optimized designs. In this study, we compare the efficiency of four fieldshapers made of Cuprofor, Siclanic, CuBe2 and Steel. The main focus is given to the effect of material properties while the same geometry was considered for those four fieldshapers. The same welding conditions (discharge voltage of 6kV and air gap of 1.64 mm) are used to weld Al/Cu. Fieldshaper made of steel could not successfully produce a welding under the aforementioned welding conditions. Welding performed using CuBe2 and Siclanic fieldshapers produces similar features of the welded interfaces, those have wavy zone, swirls, cracks, discontinuous intermediate (IM) layers, and a few IM pockets. Cuprofor fieldshaper also generates these features but the welded interface reveals significantly large kinetic instabilities due to the presence of large vortex, large holes within swirls and porous intermediate phases (IMP). These results clearly show the importance of choosing the appropriate fieldshaper material to produce successful welds and the resulting instabilities features at the interfaces.
Identification of Tumor Rejection Antigens for Breast Cancer Using a Mouse Tumor Rejection Model (2007)

Abstract : Pre-menopausal patients whose breast cancers are, in general, estrogen receptor (ER) negative and biologically more aggressive, are particularly in need of novel therapeutic interventions. A breast cancer vaccine to prevent relapse after conventional treatment would be of enormous clinical value. Several cancer vaccine studies have demonstrated that breast cancer patients can develop antigen specific immune responses after a vaccine is given. Most of these approaches target a single immunogenic protein or antigen thus limiting the vaccine to those patients whose expresses that antigen. We propose the development of a multi-antigen vaccine that could potentially benefit any ER negative breast cancer patient; the category of patient at highest risk of relapse. Several high throughput antigen discovery tools have been developed that have greatly helped the identification of immunogenic proteins in breast cancer patients. One such technique, SEREX (serological analysis of cDNA expression libraries) identifies antigens based on spontaneous antibody immunity that can occur in breast cancer patients. To date, over 2,000 antigens have been identified from a variety of cancers using SEREX. In fact, so many antigens have been identified a major question facing immunologists today is- which antigen will induce anti-tumor immunity? Investigators evaluating immunity to leukemia have recently utilized patients who develop an anti-tumor response after immunotherapy to identify true tumor rejection antigens, that is, those immunogenic proteins which, if targeted, would induce an anti-tumor response. This work was possible because one of the treatments of relapsed leukemia is immunotherapy using donor lymphocyte infusions. The investigators could identify which immunogenic proteins were associated with the development of a remission after immunotherapy.
Direct Protection of 1,2-Diols from α-Diketones (1996)

α-Diketones react directly with 1,2-diols to 1,2-give diacetal structures under acid catalysed reaction conditions. These 1,2-diacetals serve as a highly effective protecting group for vicinal diols.
Room-temperature quantum interference in an asymmetric triple-barrier resonant-tunnelling diode (1996)

At room temperature strong oscillatory structure was observed in the current - voltage characteristics of a triple-barrier structure with a band diagram similar to hot-electron resonant tunnelling transistors. From the dependence of these oscillations on the width of the drift region, it is demonstrated that they are due to quantum interference in the drift region. Their amplitude decreases with decreasing temperature. This is an unusual dependence on temperature not observed in other resonant-tunnelling structures.
Sum-Product-Quotient Networks (2017)

We present a novel tractable generative model that extends Sum-Product Networks (SPNs) and significantly boosts their power. We call it Sum-Product-Quotient Networks (SPQNs), whose core concept is to incorporate conditional distributions into the model by direct computation using quotient nodes, e.g. $P(A|B) = \frac{P(A,B)}{P(B)}$. We provide sufficient conditions for the tractability of SPQNs that generalize and relax the decomposable and complete tractability conditions of SPNs. These relaxed conditions give rise to an exponential boost to the expressive efficiency of our model, i.e. we prove that there are distributions which SPQNs can compute efficiently but require SPNs to be of exponential size. Thus, we narrow the gap in expressivity between tractable graphical models and other Neural Network-based generative models.
Pharmacological hallmarks of allostery at the M4 muscarinic receptor elucidated through structure and dynamics (2022)

Abstract Allosteric modulation of G protein-coupled receptors (GPCRs) is a major paradigm in drug discovery. Despite decades of research, a molecular level understanding of the general principals that govern the myriad pharmacological effects exerted by GPCR allosteric modulators remains limited. The M 4 muscarinic acetylcholine receptor (M 4 mAChR) is a well-validated and clinically relevant allosteric drug target for several major psychiatric and cognitive disorders. Here, we present high-resolution cryo-electron microscopy structures of the M 4 mAChR bound to a cognate G i1 protein and the high affinity agonist, iperoxo, in the absence and presence of two different positive allosteric modulators, LY2033298 or VU0467154. We have also determined the structure of the M 4 mAChR-G i1 complex bound to its endogenous agonist, acetylcholine (ACh). Structural comparisons, together with molecular dynamics, mutagenesis, and pharmacological validations, have provided in-depth insights into the role of structure and dynamics in orthosteric and allosteric ligand binding, global mechanisms of receptor activation, cooperativity, probe-dependence, and species variability; all key hallmarks underpinning contemporary GPCR drug discovery.
Temporal detection in human vision: dependence on spatial frequency (1999)

In the study of perception of temporal changes in luminance, it is customary to model perceptual performance as based on one or more linear filters. The task is then to estimate the temporal impulse responses or the representation of the impulse response in the frequency domain. Previously, temporal masking data have been used to estimate the properties and numbers of these temporal mechanisms (filters) in central vision for 1-cycle-per-degree (cpd) targets [Vision Res. 38, 1023 (1998)]. The same methods have been used to explore how properties of the estimated filters change with stimulus contrast energy [J. Opt. Soc. Am. A 14, 2557 (1997)]. We present estimated properties for temporal mechanisms that detect low spatial-frequency patterns. The results indicate that two filters provide the best model for performance when mask contrast is significant. There are also differences between properties for mechanisms that detect signal spatial frequencies of 1 cpd and 1/3 cpd. The sensitivity of the low-pass mechanism relative to the bandpass mechanism is reduced at 1/3 cpd, consistent with previous findings.
Automatic processing scheme for low laser invasiveness electro optical frequency mapping mode (2016)

Electro optical techniques are efficient backside contactless techniques usually used for design debug and defect location in modern VLSI. Unfortunately, the signal to noise ratio is quite low and depends on laser power with potential device stress due to long acquisition time or high laser power, especially in up to date technologies. Under these conditions, to maintain a good signal or image quality, specific signal or image processing techniques can be implemented. In this paper, we proposed a new spatial filtering by stationary wavelets and contrast enhancement which allows the use of low laser power and short acquisition time in image mode.
EFAVIRENZ, ATAZANAVIR AND RITONAVIR IMPAIR SARCO(ENDO)PLASMIC RETICULUM Ca2+ CYCLING (2013)

Efavirenz (EFV), atazanavir (ATV) and ritonavir (RTV) are key components of combination anti‐retroviral therapy used to reduce viral replication in therapy naive HIV‐infected individuals. However, their beneficial effects are being compromised by clinically important adverse side‐effects including cognitive decline, lipoatrophy, cardiac dysfunction and skeletal muscle weakness. These undesired effects have been attributed to mechanisms including induction of the unfolded protein response (UPR), autophagy, and mitochondrial dysfunction. What is less clear is whether these mechanisms are initiating causes or secondary consequences stemming from the actions of these drugs at upstream cellular targets. This study assesses whether EFV, ATV and RTV alter sarco(endo)plasmic reticulum (SR/ER) Ca 2+ content, which if compromised will induce these untoward effects. At pharmacologically‐relevant concentrations, EFV (0.24 μM), ATV (1.5 μM) and RTV (0.8 μM) bind to and modulate ryanodine receptors, the channels through which Ca 2+ is released from the SR/ER, with varying potencies. These drugs also dose‐dependently activated and/or inhibited SERCA1 and SERCA2, ATPases that translocate Ca 2+ from the cytoplasm to the lumen of the SR/ER. Exposure of quiescent C2C12 myotubes and rat ventricular myocytes to EFV, RTV, and ATV elevated cytoplasmic Ca 2+ and decreased the SR/ER Ca 2+ content by &gt;;50%. Overnight exposure of C2C12 cells with EFV and RTV also triggered the unfolded protein response. These data provide new mechanistic insights into the tissue/organ‐selective adverse effects of three first‐choice antiretrovirals. Supported in part by NIH HL085061