gebhart/patrepeval huggingface dataset:
Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal−Organic Framework, Ni-STA-12 (2008)

The structure of the nickel N,N'-piperazinebismethylenephosphonate, Ni-STA-12 (St. Andrews porous material-12), has been determined in the hydrated (Ni2L x 8 H2O, L = O3PCH2NC4H8NCH2PO3), partially dehydrated (Ni2L x 2 H2O), and fully dehydrated (Ni2L) forms from high-resolution synchrotron X-ray powder diffraction. The framework structures of Ni2L x 8 H2O and Ni2L x 2 H2O are almost identical (R, a = 27.8342(1) A, c = 6.2421(2) A; R, a = 27.9144(1) A, c = 6.1655(2) A) with additional physisorbed water of the as-prepared Ni-STA-12 present in an ordered hydrogen-bonded network in the channels. Ab initio structure solution of the fully dehydrated solid indicates it has changed symmetry to triclinic (P1, a = 6.03475(5) A, b = 14.9157(2) A, c = 16.1572(2) A, alpha = 112.5721(7) degrees, beta = 95.7025(11) degrees, gamma = 96.4950(11) degrees) as a result of a topotactic structural rearrangement. The fully dehydrated solid possesses permanent porosity with elliptical channels 8 A x 9 A in free diameter. The structural change results from the loss of water coordinated to the nickel cations, so that the nickel coordination changes from edge-sharing octahedral NiO5N to edge- and corner-sharing five-fold NiO4N. During this change, two out of three phosphonate groups rotate to become fully coordinated to nickel cations, leaving the remainder of the phosphonate groups coordinated to nickel cations by two oxygen atoms and with a P=O bond projecting into the channels. This transformation, which is completely reversible, causes substantial changes in both vibrational and electronic properties as shown by IR, Raman, and UV-visible spectroscopies. Complementary adsorption, calorimetric, and infrared studies of the probe adsorbates H2, CO, and CO2 reveal the presence of several distinct adsorption sites in the solid, which are attributed to their interactions with nickel cations which are weak Lewis acid sites, as well as with P=O groups that project into the pores. At 304 K, the adsorption isotherms and enthalpies of adsorption on dehydrated Ni-STA-12 have been measured for CO2 and CH4: Ni-STA-12 gives adsorption uptakes of CO2 of 2.5 mmol g(-1) at 1 bar, an uptake ca. 10 times that of CH4.
Neuroglia—An Open Access Journal (2021)

Welcome to Neuroglia, a new Open Access MDPI journal which will report original research articles and reviews on studies of neuroglia [...]
Synthesis, Characterization, Self‐Assembly, Gelation, Morphology and Computational Studies of Alkynylgold(III) Complexes of 2,6‐Bis(benzimidazol‐2′‐yl)pyridine Derivatives (2014)

A novel class of alkynylgold(III) complexes of the dianionic ligands derived from 2,6-bis(benzimidazol-2'-yl)pyridine (H2bzimpy) derivatives has been synthesized and characterized. The structure of one of the complexes has also been determined by X-ray crystallography. Electronic absorption studies showed low-energy absorption bands at 378-466 nm, which are tentatively assigned as metal-perturbed π-π* intraligand transitions of the bzimpy(2-) ligands. A computational study has been performed to provide further insights into the nature of the electronic transitions for this class of complexes. One of the complexes has been found to show gelation properties, driven by π-π and hydrophobic-hydrophobic interactions. This complex exhibited concentration- and temperature-dependent (1)H NMR spectra. The morphology of the gel has been characterized by transmission electron microscopy (TEM) and scanning electron microscopy (SEM).
Stability Effects on CO<sub>2</sub> Adsorption for the DOBDC Series of Metal–Organic Frameworks (2011)

Metal-organic frameworks with unsaturated metal centers in their crystal structures, such as Ni/DOBDC and Mg/DOBDC, are promising adsorbents for carbon dioxide capture from flue gas due to their high CO(2) capacities at subatmospheric pressures. However, stability is a critical issue for their application. In this paper, the stabilities of Ni/DOBDC and Mg/DOBDC are investigated. Effects of steam conditioning, simulated flue gas conditioning, and long-term storage on CO(2) adsorption capacities are considered. Results show that Ni/DOBDC can maintain its CO(2) capacity after steam conditioning and long-term storage, whereas Mg/DOBDC does not. Nitrogen isotherms for Mg/DOBDC show a drop in surface area after steaming, corresponding to the decrease in CO(2) adsorption, which may be caused by a reduction of unsaturated metal centers in its structure. Conditioning with dry simulated flue gas at room temperature only slightly affects CO(2) adsorption in Ni/DOBDC. However, introducing water vapor into the simulated flue gas further reduces the CO(2) capacity of Ni/DOBDC.
High-level expression by tissue/cancer-specific promoter with strict specificity using a single-adenoviral vector (2010)

Tissue-/cancer-specific promoters for use in adenovirus vectors (AdVs) are valuable for elucidating specific gene functions and for use in gene therapy. However, low activity, non-specific expression and size limitations in the vector are always problems. Here, we developed a 'double-unit' AdV containing the Cre gene under the control of an α-fetoprotein promoter near the right end of its genome and bearing a compact 'excisional-expression' unit consisting of a target cDNA 'upstream' of a potent promoter between two loxPs near the left end of its genome. When Cre was expressed, the expression unit was excised as a circular molecule and strongly expressed. Undesired leak expression of Cre during virus preparation was completely suppressed by a dominant-negative Cre and a short-hairpin RNA against Cre. Using this novel construct, a very strict specificity was maintained while achieving a 40- to 90-fold higher expression level, compared with that attainable using a direct specific promoter. Therefore, the 'double-unit' AdV enabled us to produce a tissue-/cancer-specific promoter in an AdV with a high expression level and strict specificity.
Signal processing in an optical polarization diversity receiver for 560-Mbit/s ASK heterodyne detection (1989)

Polarization diversity is an alternative technique for coherent receivers to prevent loss to signal due to variations in the states of polarization (SOP) of the received signal field. It is shown experimentally and theoretically that there is no significant power penalty difference between a receiver with optimally adjusted gains and receivers with linear envelope detection and square-law detection. Experimentally, two amplitude-shift keying (ASK) heterodyne polarization diversity receivers with envelope detectors were demonstrated at 560 Mb/s, one using linear rectifiers, the other using square-law rectifiers. In both cases, the receiver sensitivity of -35 dBm at BER=10/sup -9/ was degraded by less than 1 dB as the received signal SOP was varied, in agreement with theory.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
The role of α-synuclein in neurodegeneration — An update (2012)

Abstract Genetic, neuropathological and biochemical evidence implicates α-synuclein, a 140 amino acid presynaptic neuronal protein, in the pathogenesis of Parkinson’s disease and other neurodegenerative disorders. The aggregated protein inclusions mainly containing aberrant α-synuclein are widely accepted as morphological hallmarks of α-synucleinopathies, but their composition and location vary between disorders along with neuronal networks affected. α-Synuclein exists physiologically in both soluble and membran-bound states, in unstructured and α-helical conformations, respectively, while posttranslational modifications due to proteostatic deficits are involved in β-pleated aggregation resulting in formation of typical inclusions. The physiological function of α-synuclein and its role linked to neurodegeneration, however, are incompletely understood. Soluble oligomeric, not fully fibrillar α-synuclein is thought to be neurotoxic, main targets might be the synapse, axons and glia. The effects of aberrant α-synuclein include alterations of calcium homeostasis, mitochondrial dysfunction, oxidative and nitric injuries, cytoskeletal effects, and neuroinflammation. Proteasomal dysfunction might be a common mechanism in the pathogenesis of neuronal degeneration in α-synucleinopathies. However, how α-synuclein induces neurodegeneration remains elusive as its physiological function. Genome wide association studies demonstrated the important role for genetic variants of the SNCA gene encoding α-synuclein in the etiology of Parkinson’s disease, possibly through effects on oxidation, mitochondria, autophagy, and lysosomal function. The neuropathology of synucleinopathies and the role of α-synuclein as a potential biomarker are briefly summarized. Although animal models provided new insights into the pathogenesis of Parkinson disease and multiple system atrophy, most of them do not adequately reproduce the cardinal features of these disorders. Emerging evidence, in addition to synergistic interactions of α-synuclein with various pathogenic proteins, suggests that prionlike induction and seeding of α-synuclein could lead to the spread of the pathology and disease progression. Intervention in the early aggregation pathway, aberrant cellular effects, or secretion of α-synuclein might be targets for neuroprotection and disease-modifying therapy.
Novel Agents in the Management of Mycobacterium Tuberculosis Disease (2007)

The goals of tuberculosis control are to cure active disease, prevent relapse, reduce transmission and avert the emergence of drug resistance. However, since the 1960s, there have been few developments in available therapies. Currently available agents are complicated by numerous side-effects, drug interactions and the need for a long duration of therapy. Rifampicin-containing regimes lead to hepatic enzyme induction which can complicate or preclude the use of protease inhibitors and non-nucleoside reverse transcriptase inhibitors in patients infected with the human immunodeficiency virus. Furthermore, emerging drug resistance has complicated management for many patients and clinicians. Therefore, new chemotherapeutic agents are urgently needed. Existing antimicrobials are emerging as potent antituberculous agents. Recent studies have demonstrated the antituberculous activity of newer fluoroquinolones including levofloxacin, moxifloxacin, and gatifloxacin. Their use as first line antituberculous agents is currently under investigation. Furthermore, the oxazolidinones linezolid and PNU-100480 have been shown to have antituberculous activity in addition to their antibacterial effects. Several other agents are currently being developed for the treatment of tuberculosis. These agents include diarylquinolones (R207910), nitroimidazopyrans (PA-824, OPC-67683), ethambutol analogues (SQ109), cerulenin, trans-cinnamic acid, macrolides, pyrroles (LL3858), long-acting rifamycins and inhaled interferon-gamma. Furthermore, vaccines are being explored for pre-exposure and post-exposure use. This review will describe therapeutic developments in the management of tuberculosis, highlighting mechanisms of action of new pharmacological agents and their potential for clinical use. Keywords: Tuberculosis, Drugs, Mycobacterium tuberculosis
Efficacy of Amphotericin B or Itraconazole in a Murine Model of Central Nervous System <i>Aspergillus</i> Infection (2003)

Given the greater than 90% lethality of clinical central nervous system (CNS) aspergillosis despite current therapies, there is a need for an animal model to study therapeutic strategies. We previously established a model of CNS aspergillosis by intracerebral infection and report here the results of treatment with the two therapies with the greatest clinical experience, i.e., treatments with amphotericin B (AMB) and itraconazole (ITZ). Mice were given cyclophosphamide to produce pancytopenia. AMB was given intraperitoneally (i.p.; 3 mg/kg of body weight) or intravenously (i.v.; 0.8 mg/kg) once daily. ITZ in cyclodextrin was given by gavage once daily at a dose of 100 mg/kg or twice daily at 50 mg/kg. Treatments were started at day 1 postinfection and given for 10 days. At day 15, survivors were euthanatized. Ninety percent of the mice given no treatment died by day 6, and 100% died by day 10. Mice treated with AMB either i.p. or i.v. had 40% survival. Mice treated with ITZ either once or twice per day had a median survival time of 10 days, compared with 4 days for control animals, but a survival rate of only 10%. AMB and ITZ prolonged survival (P, <0.0001 to <0.05) compared with controls. Brains from surviving mice had CFU of Aspergillus fumigatus. This model can be used to compare newer antifungals and to study combination therapy or immunotherapy to find better therapeutic alternatives.
Effects of Diaper Types on Diaper Dermatitis Associated with Diarrhea and Antibiotic Use in Children in Day‐Care Centers (1988)

Infants and toddlers in day-care centers have a relatively high frequency of diarrhea and/or oral antibiotic use, and may be at increased risk of developing diaper dermatitis when diapered. A six-month, prospective, double-blind study was conducted in day-care centers in Houston, Texas, to determine the frequency of diarrhea, antibiotic use, and diaper dermatitis in infants and toddlers wearing conventional (cellulose-only core) disposable diapers or disposable diapers with a core of absorbent gelling material (AGM) and cellulose. A questionnaire was administered weekly to the day-care staff to gather health information, and weekly visual examinations were made of children for diaper dermatitis. The frequency of diarrhea was 1.9 episodes per child-year and that of antibiotic use was 3.3 courses per child-year. Infants diapered in disposable diapers with AGM had a significantly (P 0.032) lower mean grade of diaper dermatitis during diarrhea episodes and a lower (P 0.054) mean grade during antibiotic use, compared to those diapered in conventional disposable diapers. There was no significant difference between groups with regard to isolation of Staphylococcus aureus or Candida albicans from superficial skin cultures of the diapered area. The results indicate that diarrhea and antibiotic use occur frequently in children in day-care centers, and that the severity of diaper dermatitis is less in children wearing AGM disposable diapers than those wearing conventional disposable diapers in that setting.
Calcium Signaling in Cardiac Myocytes (2011)

Calcium (Ca(2+)) is a critical regulator of cardiac myocyte function. Principally, Ca(2+) is the link between the electrical signals that pervade the heart and contraction of the myocytes to propel blood. In addition, Ca(2+) controls numerous other myocyte activities, including gene transcription. Cardiac Ca(2+) signaling essentially relies on a few critical molecular players--ryanodine receptors, voltage-operated Ca(2+) channels, and Ca(2+) pumps/transporters. These moieties are responsible for generating Ca(2+) signals upon cellular depolarization, recovery of Ca(2+) signals following cellular contraction, and setting basal conditions. Whereas these are the central players underlying cardiac Ca(2+) fluxes, networks of signaling mechanisms and accessory proteins impart complex regulation on cardiac Ca(2+) signals. Subtle changes in components of the cardiac Ca(2+) signaling machinery, albeit through mutation, disease, or chronic alteration of hemodynamic demand, can have profound consequences for the function and phenotype of myocytes. Here, we discuss mechanisms underlying Ca(2+) signaling in ventricular and atrial myocytes. In particular, we describe the roles and regulation of key participants involved in Ca(2+) signal generation and reversal.
The Reaction of Oxides with Water at High Pressures and Temperatures (1964)

Abstract The reactions of the oxides SiO 2 , MoO 3 , and WO 3 with steam at temperatures between 400 and 700 °C and pressures of 5 to 500 atm were studied by means of the transfer method. The results were evaluated by a new method. In the system Sio 2 /H 2 O the formation of gaseous Si(OH) 4 , Si 2 O(OH) 6 , and [SiO 2 (OH) 2 ] x was found to occur in three different water‐density ranges. In the systems MoO 3 /H 2 O and WO 3 /H 2 O the gaseous compounds MoO 2 (OH) 2 and WO 2 (OH) 2 , which were already known, exist up to densities of approximately 0.05g/cm 3 . At higher densities, at which the supercritical phase begins to show the properties of a liquid to an ever increasing extent, isopolymolybdic or isopolytungstic acids appear.
Analysis of thep16 tumor suppressor gene in early-stage prostate cancer (1998)

To identify whether alterations of the p16 tumor suppressor gene are a common event in localized prostate cancer, we examined the frequency of p16 gene mutations in 30 primary tumors. Only two tumors demonstrated altered single-strand conformation polymorphism patterns for exon 2 of p16. In both cases, sequencing revealed a missense at codon 148, a G-->A transition that resulted in the replacement of the alanine by threonine. Polymerase chain reaction-single-strand conformation polymorphism analysis of matched blood samples revealed the same abnormal band shifts as the tumor samples, suggesting that these base changes are polymorphic. In addition, transcriptional inactivation by means of CpG island methylation has also been reported as a possible means of p16 gene inactivation. To address this point, we determined the pattern of DNA methylation at the Smal site for 21 of 30 samples for which DNA was available. Only one sample had an altered methylation pattern at the Smal site downstream of exon 1 of the p16 gene, which is outside the CpG island and is not normally associated with transcriptional inactivation. However, two samples did have deletions proximal to or within the p16 gene. These results indicate that mutations in p16 may not be a dominant pathway for p16 loss of function or that inactivation of p16 by DNA methylation may not be necessary for the transformation and progression of prostate cancer.
Location based early disaster warning and evacuation system on mobile phones using OpenStreetMap (2012)

Natural Disasters have threatened mankind since history started. Due to geographic position and climate change, Bangladesh is one of most vulnerable countries to natural disasters. The country also lacks effective disaster preparedness system to confront natural disasters. Timely disaster warning and evacuation guideline can save lives of the people. In addition, a tourist or a blind people may face difficulties in finding safe area or shelter place prior to the occurrence of natural disasters. For this reason, we have proposed a location based early disaster warning and evacuation system for both normal and blind people using OpenStreetMap (OSM). The system is implemented on android mobile phone because of the burgeoning growth of smart phones in Bangladesh. So, our system comprises a third-party server named Disaster Management Server (DMS), android device with our application installed on it and user. The local weather office updates the disaster (tsunami, cyclone or flood) data on DMS. Device user registers on Android Cloud to Device Messaging (C2DM) server to get automatic notification of upcoming disaster otherwise user gets manual notification. The user communicates with DMS to have updated data sending the current position obtained by GPS or network provider. The probable disaster affected area is determined by ray casting algorithm. When our application recognizes the user in probable disaster zone then application will disseminate visual and audio disaster warning and evacuation guideline including shortest path of shelter or safe zone on the map of the application. Evacuation progress is also tracked using DMS and national identification of user. The experimental result demonstrates the effectiveness of our system.
Recurrent Pseudomonas Folliculitis (1994)

Pseudomonas aeruginosa has attracted the attention of the dermatologic literature through repeatedly reported outbreaks of folliculitis occurring in small epidemics related to contaminated whirlpools, hot tubs, and swimming pools. In contrast, sporadic cases without these recreational exposures may present a diagnostic challenge. Two sisters, age 8 and 4 years, had sporadic Pseudomonas folliculitis. It is important to recognize the organism as the cause of this recurrent, papulopustular, follicular eruption on the trunk and gluteal regions, also called nonrecreational Pseudomonas folliculitis, to avoid misdiagnosis and mismanagment. Inadvertent therapy with steroids may result in rapid spread of the lesions. Unless a meticulous investigation of contaminant sources in the environment leads to the detection of the vehicle of infection, the dermatitis tends to recur and become chronic.
Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)−(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt) (2007)

Group 10 metal(II) complexes of H2tbu-salen (H2tbu-salen = N,N'-bis(3',5'-di-tert-butylsalicylidene)ethylenediamine) and H2tbu-salcn (H2tbu-salcn = N,N'-bis(3',5'-di-tert-butylsalicylidene)-1,2-cyclohexanediamine) containing two 2,4-di(tert-butyl)phenol moieties, [Ni(tbu-salen)] (1a), [Ni(tbu-salcn)] (1b), [Pd(tbu-salen)] (2a), [Pd(tbu-salcn)] (2b), and [Pt(tbu-salen)] (3), were prepared and structurally characterized by X-ray diffraction, and the electronic structures of their one-electron-oxidized species were established by spectroscopic and electrochemical methods. All the complexes have a mononuclear structure with two phenolate oxygens coordinated in a very similar square-planar geometry. These complexes exhibited similar absorption spectra in CH2Cl2, indicating that they all have a similar structure in solution. Cyclic voltammograms of the complexes showed a quasi-reversible redox wave at E1/2 = 0.82-1.05 V (vs Ag/AgCl), corresponding to formation of the relatively stable one-electron-oxidized species. The electrochemically oxidized or Ce(IV)-oxidized species of 1a, 2a, and 3 displayed a first-order decay with a half-life of 83, 20, and 148 min at -20 degrees C, respectively. Ni(II) complexes 1a and 1b were converted to the phenoxyl radicals upon one-electron oxidation in CH2Cl2 above -80 degrees C and to the Ni(III)-phenolate species below -120 degrees C. The temperature-dependent conversion was reversible with the Ni(III)-phenolate ground state and was found to be a valence tautomerism governed by the solvent. One-electron-oxidized 1b was isolated as [Ni(tbu-salcn)]NO3 (4) having the Ni(II)-phenoxyl radical ground state. One-electron-oxidized species of the Pd(II) complexes 2a and 2b were different from those of the Ni(II) complexes, the Pd(II)-phenoxyl radical species being the ground state in CH2Cl2 in the range 5-300 K. The one-electron-oxidized form of 2b, [Pd(tbu-salcn)]NO3 (5), which was isolated as a dark green powder, was found to be a Pd(II)-phenoxyl radical complex. On the other hand, the ESR spectrum of the one-electron-oxidized species of Pt(II) complex 3 exhibited a temperature-independent large g anisotropy in CH2Cl2 below -80 degrees C, while its resonance Raman spectrum at -60 degrees C displayed nu8a of the phenoxyl radical band at 1600 cm-1. These results indicated that the ground state of the Pt(II)-phenoxyl radical species has a large distribution of the radical electron spin at the Pt center. One-electron oxidation of 3 gave [Pt(tbu-salen)]NO3 (6) as a solid, where the oxidation state of the Pt center was determined to be ca. +2.5 from the XPS and XANES measurements.