gebhart/patrepeval huggingface dataset:
Coulomb blockade in a nanoscale phosphorus-in-silicon island (2005)

We study the low temperature electrical transport behaviour of a silicon single electron transistor. The island and leads are defined by patterned phosphorus doped regions achieved by ion implantation through a polymer resist mask. In the device a 50 nm diameter island, containing ~600 donors and having a metallic density of states, is separated from source and drain leads by undoped silicon tunnel barriers. The central island and tunnel barriers are covered by a surface gate in a field effect transistor geometry allowing the coupling between the leads and island to be controlled. Coulomb blockade due to charging of the doped island is measured, the oscillation period is observed to be constant while the charging energy is dependent on the surface gate voltage. We discuss the possibilities of approaching the few electron regime in these structures, with the aim of observing and manipulating discrete quantum mechanical states.
Quasi-bound states in the continuum for deep subwavelength structural information retrieval for DUV nano-optical polarizers (2020)

We demonstrate the retrieval of deep subwavelength structural information in nano-optical polarizers by scatterometry of quasi-bound states in the continuum (quasi-BICs). To this end, we investigate titanium dioxide wire grid polarizers for application wavelengths in the deep ultraviolet (DUV) spectral range fabricated with a self-aligned double-patterning process. In contrast to the time-consuming and elaborate measurement techniques like scanning electron microscopy, asymmetry induced quasi-BICs occurring in the near ultraviolet and visible spectral range provide an easily accessible and efficient probe mechanism. Thereby, dimensional parameters are retrieved with uncertainties in the sub-nanometer range. Our results show that BICs are a promising tool for process control in optics and semiconductor technology.
(Invited) Sub-40mV Sigma V<sub>TH</sub> Igzo nFETs in 300mm Fab (2020)

Back and double gate IGZO nFETs have been demonstrated down to 120nm and 70nm respectively leveraging 300mm fab processing. While the passivation of oxygen vacancies in IGZO is challenging with an integration of front side gate, a scaled back gated flow has been optimized by multiplying design of experiments around contacts and material engineering. We then successfully demonstrated sub-40mV σ(VTH_ON) in scaled IGZO nFETs. Regarding the performance and the VTH_ON control, a new IGZO phase is also reported. A model of dopants location is proposed to better explain the experimental results reported in literature.
Mechanisms of temporary inhibition in Streptomyces subtilisin inhibitor induced by an amino acid substitution, Tryptophan 86 replaced by histidine (1991)

Just one amino acid substitution (Trp86 replaced by His), which is more than 30 A away from the reactive site, changed the inhibitor, Streptomyces subtilisin inhibitor (SSI), into a temporary inhibitor without a change in the inhibition constant. When the inhibitor was in excess of subtilisin BPN', the wild-type SSI was stable under protease attack, while the mutant inhibitor was hydrolyzed to peptide fragments in an all-or-none manner. The mechanism of this temporary inhibition induced by the amino acid substitution was studied on the basis of structural, thermodynamic, and kinetic data obtained by a combined use of NMR, hydrogen-deuterium exchange, differential scanning calorimetry, and gel filtration HPLC. The mutation did not induce major structural changes, and in particular, the structure of the enzyme-binding region was virtually unaffected. The denaturation temperature of SSI, however, was decreased by 10 deg upon mutation, although it still remained a thermostable protein with a denaturation temperature of 73 degrees C. Furthermore, the activation enthalpy for denaturation was reduced dramatically, to half that of the wild type. When the mutated SSI is present in excess of the enzyme, the proteolysis followed first-order reaction kinetics with respect to the total concentration of the mutated SSI molecules present. From these combined results, we conclude that the proteolysis proceeds not through the native form of the inhibitor in the inhibitor-enzyme complex but through the denatured (unfolded) form of the inhibitor whose fraction is increased by the mutation. This conclusion states that the necessary condition for being a serine protease inhibitor lies not only in the design of the reactive site structure that is highly resistant to protease attack but also in the suppression of such structural fluctuation that brings about cooperative denaturation. In contrast, when the protease existed in excess of the mutated inhibitor, the proteolysis reaction was accelerated by more than 2 orders of magnitude. Furthermore, the reaction occurred even in the wild-type SSI at a comparable rate as in the mutated protein. This indicates that in the enzyme excess case another, more efficient digestion mechanism involving fluctuation within the native manifold of the inhibitor dominates.
The free radial forearm flap for intraoral reconstruction following hemiglossectomy. (1986)

Three patients reconstructed with free radial forearm flap following hemiglossectomy are presented. The postoperative complications were only paresthesia of the snuff box, and the function of the recipient sites were satisfactory in all cases. This flap was proved to offer not only the thin and pliable skin for intraoral reconstruction, but also longer and larger vessels for vascular anastomosis. The versatility and advantages of the forearm flap are reviewed and discussed.
Frequent Occult Infection with Cytomegalovirus in Cardiac Transplant Recipients despite Antiviral Prophylaxis (2007)

ABSTRACT Despite antiviral prophylaxis, a high percentage (over 90%) of heart transplant patients experience active cytomegalovirus (CMV) infection, diagnosed by detection of viral DNA in peripheral blood polymorphonuclear leukocytes within the first few months posttransplantation. Viral DNA was detected in mononuclear cells prior to detection in granulocytes from CMV-seropositive recipients (R + ) receiving a heart from a CMV-seropositive donor (D + ). Based on assessment of systemic infection in leukocyte populations, both R + subgroups (R + /D − and R + /D + ) experienced a greater infection burden than the R − /D + subgroup, which was aggressively treated because of a higher risk of acute CMV disease. Despite widespread systemic infection in all at-risk patient subgroups, CMV DNA was rarely (&lt;3% of patients) detected in transplanted heart biopsy specimens. The R + patients more frequently exceeded the 75th percentile of the CMV DNA copy number distribution in leukocytes (110 copies/10 5 polymorphonuclear leukocytes) than the R − /D + subgroup. Therefore, active systemic CMV infection involving leukocytes is common in heart transplant recipients receiving prophylaxis to reduce acute disease. Infection of the transplanted organ is rare, suggesting that chronic vascular disease attributed to CMV may be driven by the consequences of systemic infection.
Autostereoscopic liquid crystal display using mosaic color pixel arrangement (2005)

We have developed some prototypes of a one-dimensional integral imaging (1-D II) autostereoscopic display. Generally, II is one of the most promising methods for realizing an autostereoscopic display. However, a lens or barrier pitch is wide and obtrusive because this method requires many parallaxes. In this case, slanting lens or barrier is undesirable because the pattern is asymmetrical. From the result of examination about the display resolution of the autostereoscopic display, we adopted an LCD with mosaic color filter arrangement and a vertical lenticular sheet. We changed the color filter to the mosaic arrangement for two types of LCD. One was an LCD of 20.8-inch diagonal size with QUXGA resolution (3200 x 2400 pixels) and another was an LCD of 15.4-inch diagonal size with WUXGA resolution (1920 x 1200 pixels). The typical specifications of the prototypes of the autostereoscopic display were 32 parallaxes with 300 horizontal resolution for the 20.8-inch size and 18 parallaxes with the same resolution for the 15.4-inch size. We confirmed these prototypes showed good appearance and stereoscopic display properties due to the symmetrical lens pattern.
Evaluation of Hydrogen Embrittlement Behavior in INCONEL Alloy 617 by Small Punch Test (2010)

For the conversion into hydrogen society, not only studying facilities of hydrogen production, storage, transportation and charging system but also developing technique of ensuring safety are essentially needed. Hence, for the first step of that, evaluated the hydrogen embrittlement of Inconel alloy 617, Ni-based super heat-resisting alloy, by small punch test. Prepared the various specimens through changing electrochemical charging time and measured the toughness degradation of the specimens by small-punch test. The analysis of hydrogen embrittlement behavior were carried out by investigating the fractured surface of specimens. This study has significance on revealing mechanism of hydrogen embrittlement behavior and the factor affecting hydrogen embrittlement in the future study.
Downstream signalling and specific inhibition of c-MET/HGF pathway in small cell lung cancer: implications for tumour invasion (2007)

The c-MET receptor can be overexpressed, amplified, or mutated in solid tumours including small cell lung cancer (SCLC). In c-MET-overexpressing SCLC cell line NCI-H69, hepatocyte growth factor (HGF) dramatically induced c-MET phosphorylation at phosphoepitopes pY1230/1234/1235 (catalytic tyrosine kinase), pY1003 (juxtamembrane), and also of paxillin at pY31 (CRKL-binding site). We utilised a global proteomics phosphoantibody array approach to identify further c-MET/HGF signal transduction intermediates in SCLC. Strong HGF induction of specific phosphorylation sites in phosphoproteins involved in c-MET/HGF signal transduction was detected, namely adducin-alpha [S724], adducin-gamma [S662], CREB [S133], ERK1 [T185/Y187], ERK1/2 [T202/Y204], ERK2 [T185/Y187], MAPKK (MEK) 1/2 [S221/S225], MAPKK (MEK) 3/6 [S189/S207], RB [S612], RB1 [S780], JNK [T183/Y185], STAT3 [S727], focal adhesion kinase (FAK) [Y576/S722/S910], p38alpha-MAPK [T180/Y182], and AKT1[S473] and [T308]. Conversely, inhibition of phosphorylation by HGF in protein kinase C (PKC), protein kinase R (PKR), and also CDK1 was identified. Phosphoantibody-based immunohistochemical analysis of SCLC tumour tissue and microarray established the role of c-MET in SCLC biology. This supports a role of c-MET activation in tumour invasive front in the tumour progression and invasion involving FAK and AKT downstream. The c-MET serves as an attractive therapeutic target in SCLC, as shown through small interfering RNA (siRNA) and selective prototype c-MET inhibitor SU11274, inhibiting the phosphorylation of c-MET itself and its downstream molecules such as AKT, S6 kinase, and ERK1/2. Investigation of mechanisms of invasion and, ultimately, metastasis in SCLC would be very useful with these signal transduction molecules.
Thermoresponsive DNA by Intercalation of dsDNA with Oligoethylene‐Glycol‐Functionalized Small‐Molecule Intercalators (2019)

Thermoresponsive polymeric materials are important building blocks for smart materials. In this work, the transformation of dsDNA into a thermoresponsive polymer is reported by intercalation of short, oligoethylene-glycol-modified proflavine intercalators. The thermoresponsiveness of the dsDNA-intercalator complex originates from the heating-induced dehydration of the ethylene glycol side chains, which leads to aggregation of the intercalated dsDNA. This work demonstrates the possibility of designing small-molecule intercalators to prepare thermoresponsive dsDNA complexes with tunable lower critical solution temperature behavior.
Functional contribution of sphingosine‐1‐phosphate to airway pathology in cigarette smoke‐exposed mice (2019)

S1P signalling up-regulation follows the disease progression in smoking mice and is involved in the development of airway hyperresponsiveness. Our study defines a therapeutic potential for S1P inhibitors in management of airways hyperresponsiveness associated to emphysema in smokers with both asthma and COPD.
Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review (2023)

Froth flotation is the most versatile process in mineral beneficiation, extensively used to concentrate a wide range of minerals. This process comprises mixtures of more or less liberated minerals, water, air, and various chemical reagents, involving a series of intermingled multiphase physical and chemical phenomena in the aqueous environment. Today's main challenge facing the froth flotation process is to gain atomic-level insights into the properties of its inherent phenomena governing the process performance. While it is often challenging to determine these phenomena via trial-and-error experimentations, molecular modeling approaches not only elicit a deeper understanding of froth flotation but can also assist experimental studies in saving time and budget. Thanks to the rapid development of computer science and advances in high-performance computing (HPC) infrastructures, theoretical/computational chemistry has now matured enough to successfully and gainfully apply to tackle the challenges of complex systems. In mineral processing, however, advanced applications of computational chemistry are increasingly gaining ground and demonstrating merit in addressing these challenges. Accordingly, this contribution aims to encourage mineral scientists, especially those interested in rational reagent design, to become familiarized with the necessary concepts of molecular modeling and to apply similar strategies when studying and tailoring properties at the molecular level. This review also strives to deliver the state-of-the-art integration and application of molecular modeling in froth flotation studies to assist either active researchers in this field to disclose new directions for future research or newcomers to the field to initiate innovative works.
ChemInform Abstract: A Structural and Theoretical Analysis of Transition Metalloporphodimethenes and Their Relationship with Metalloporphyrins. (2002)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Efficacy of high intensity home mechanical stretch therapy for treatment of Adhesive Capsulitis: A Retrospective Review (2022)

Abstract Background: Adhesive capsulitis is a common cause of shoulder motion loss that can be difficult to treat. Surgical intervention is often necessary when conservative methods fail. High intensity stretch (HIS) treatment may be able to provide increased motion gains while avoiding the cost and complications of surgery.Objectives: The purpose of this study was to review data from patients who were prescribed a HIS device to recover their shoulder motion to determine the efficacy of the device. The hypotheses were that patients would achieve significant ROM gains and that ROM would increase to a level at which patients would be able to avoid a motion loss surgery and perform activities of daily living.Methods: Clinical notes were reviewed for patients whose progress plateaued after 4 weeks of therapy and were subsequently prescribed the HIS device after failing to meet their treatment goals. ROM data were recorded for external rotation, abduction, forward flexion, and internal rotation. Pre- and post-treatment ROM data were compared using t-tests.Results: Significant ROM gains were seen in all planes of motion (p&lt;0.001). Patients gained an average of 29.9° in external rotation with a last recorded rotation of 59.2°. In abduction, patients gained 40.5° with a last recorded abduction of 123.3°. In forward flexion, patients gained 30.3° with a last recorded flexion of 138.7°. In internal rotation, patients gained 15.2° with a last recorded rotation of 57.6°. These last recorded ranges of motion were sufficient to perform nearly all activities of daily living.Conclusions: The HIS device was effective in treating patients with shoulder motion loss as demonstrated by the significant ROM gains in all planes of motion. The ability for a patient to recover lost motion quickly without surgery is of great value to quality of life and in healthcare cost savings. We believe this high-intensity stretch device should be considered for use by patients who are at risk for a motion loss surgery.
Variation in Quadrupole Couplings of α Deuterons in Ubiquitin Suggests the Presence of C<sup>α</sup>−H<sup>α</sup>···O═C Hydrogen Bonds (2010)

Nuclear quadrupolar couplings are sensitive probes of hydrogen bonding. Experimental quadrupolar coupling constants of alpha deuterons (D(alpha) QCC) are reported for the residues of human ubiquitin that do not experience large-amplitude internal dynamics on the pico- to nanosecond time scale. Two different methods for D(alpha) QCC estimation are employed: (i) direct estimation of D(alpha) QCC values from R(1) and R(2) (2)H D(alpha) rates using the dynamics parameters (S(C(alpha)-H(alpha))(2)) derived from 1 micros molecular dynamics simulations as well as from (13)C(alpha) relaxation measurements and (ii) indirect measurements via scalar relaxation of the second kind that affects (13)C(alpha) relaxation rates in (13)C(alpha)-D(alpha) spin systems. A relatively large variability of D(alpha) QCC values is produced by both methods. The average value of 170.6 +/- 3 kHz is derived from the combined data set, with D(alpha) QCC values ranging from 159.2 to 177.2 kHz. The set of lowest quadrupolar couplings in all data sets corresponds to the residues that are likely to form weak C(alpha)-H(alpha)...O=C hydrogen bonds as predicted from the analysis of short H(alpha)...O distances in three-dimensional structures of ubiquitin. These D(alpha) nuclei show up to 10 kHz reduction in their QCC values, which is in agreement with earlier solid-state NMR measurements in alpha deuterons of glycine. A statistically significant correlation is observed between the QCC values of alpha-deuterons and the inverse cube of C(alpha)-H(alpha)...O=C distances in ubiquitin.
Neovascularization of ischemic tissues by gene delivery of the extracellular matrix protein Del-1 (2003)

The ECM protein Del-1 is one of several novel ECM proteins that accumulate around angiogenic blood vessels in embryonic and tumor tissue and promote angiogenesis in the absence of exogenous growth factors. Del-1 expressed in mouse or rabbit ischemic hind-limb muscle by gene transfer rapidly promotes new blood vessel formation and restores muscle function. This angiogenic ECM protein initiates angiogenesis by binding to integrin αvβ5 on resting endothelium, thereby resulting in expression of the transcription factor Hox D3 and integrin αvβ3. Hox D3 converts resting endothelium to angiogenic endothelium by inducing expression of proangiogenic molecules such as integrin αvβ3. These findings provide evidence for an angiogenic switch that can be initiated in the absence of exogenous growth factors and indicate that the angiogenic matrix protein Del-1 may be a useful tool for the therapy of ischemic disease.
Adenovirus-mediated gene transfer into normal rabbit arteries results in prolonged vascular cell activation, inflammation, and neointimal hyperplasia. (1995)

Adenovirus vectors are capable of high efficiency in vivo arterial gene transfer, and are currently in use as therapeutic agents in animal models of vascular disease. However, despite substantial data on the ability of viruses to cause vascular inflammation and proliferation, and the presence in current adenovirus vectors of viral open reading frames that are translated in vivo, no study has examined the effect of adenovirus vectors alone on the arterial phenotype. In a rabbit model of gene transfer into a normal artery, we examined potential vascular cell activation, inflammation, and neointimal proliferation resulting from exposure to replication-defective adenovirus. Exposure of normal arteries to adenovirus vectors resulted in: (a) pronounced infiltration of T cells throughout the artery wall; (b) upregulation of intercellular adhesion molecule-1 and vascular cell adhesion molecule-1 in arterial smooth muscle cells; (c) neointimal hyperplasia. These findings were present both 10 and 30 d after gene transfer, with no evidence of a decline in severity over time. Adenovirus vectors have pleiotropic effects on the arterial wall and cause significant pathology. Interpretation of experimental protocols that use adenovirus vectors to address either biological or therapeutic issues should take these observations into account. These observations should also prompt the design of more inert gene transfer vectors.
Proposal of small-aperture guided-mode resonance filter (2011)

A guided-mode-resonance filter (GMRF) consisting of a thin film waveguide and a surface periodic relief has been widely studied for application to a laser mirror as well as to an optical wavelength filter, because of its great advantage in mass production in comparison to multilayer dielectric mirrors. However, GMRF needs some considerably large coupling area to provide high coupling efficiency, meaning that the direct coupling to an optical fiber or a semiconductor laser end is difficult. Therefore, the miniaturization of GMRF is very attractive in practical applications. In this paper, we propose a new concept of the integration of a cavity resonator consisting of a pair of distributed Bragg reflectors to miniaturize a GMRF aperture down to several micrometers matching to the electric-field size of an optical fiber or a semiconductor laser.
Amygdala GluN2B-NMDAR dysfunction is critical in abnormal aggression of neurodevelopmental origin induced by St8sia2 deficiency (2018)

Aggression is frequently observed in neurodevelopmental psychiatric disorders such as schizophrenia, autism, and bipolar disorder. Due to a lack of understanding of its underlying mechanisms, effective treatments for abnormal aggression are still missing. Recently, genetic variations in Sialyltransferase 2 (St8sia2) have been linked to these disorders and aggression. Here we identify abnormal aggressive behaviors and concomitant blunted fear learning in St8sia2 knockout (-/-) mice. It is worth noting that the amygdala of St8sia2-/- mice shows diminished threat-induced activation, as well as alterations in synaptic structure and function, including impaired GluN2B-containing NMDA receptor-mediated synaptic transmission and plasticity. Pharmacological rescue of NMDA receptor activity in the amygdala of St8sia2-/- mice with the partial agonist D-cycloserine restores synaptic plasticity and normalizes behavioral aberrations. Pathological aggression and associated traits were recapitulated by specific amygdala neonatal St8sia2 silencing. Our results establish a developmental link between St8sia2 deficiency and a pathological aggression syndrome, specify synaptic targets for therapeutic developments, and highlight D-cycloserine as a plausible treatment.