gebhart/patrepeval huggingface dataset:
Structural and kinetic differences between human and <i>Aspergillus fumigatus</i> <scp>D</scp>-glucosamine-6-phosphate <i>N</i>-acetyltransferase (2008)

Aspergillus fumigatus is the causative agent of aspergillosis, a frequently invasive colonization of the lungs of immunocompromised patients. GNA1 (D-glucosamine-6-phosphate N-acetyltransferase) catalyses the acetylation of GlcN-6P (glucosamine-6-phosphate) to GlcNAc-6P (N-acetylglucosamine-6-phosphate), a key intermediate in the UDP-GlcNAc biosynthetic pathway. Gene disruption of gna1 in yeast and Candida albicans has provided genetic validation of the enzyme as a potential target. An understanding of potential active site differences between the human and A. fumigatus enzymes is required to enable further work aimed at identifying selective inhibitors for the fungal enzyme. In the present study, we describe crystal structures of both human and A. fumigatus GNA1, as well as their kinetic characterization. The structures show significant differences in the sugar-binding site with, in particular, several non-conservative substitutions near the phosphate-binding pocket. Mutagenesis targeting these differences revealed drastic effects on steady-state kinetics, suggesting that the differences could be exploitable with small-molecule inhibitors.
Neural circuits can bridge systems and cognitive neuroscience (2010)

There has been an emerging focus in neuroscience research on circuit-level interaction between multiple brain regions and behavior. This broad circuit-level approach creates a unique opportunity for convergence and collaboration between studies of humans and animal models of cognition.
Aspects of pulmonary drug delivery strategies for infections in cystic fibrosis – where do we stand? (2015)

Rapidly increasing antimicrobial resistance accompanied by the lack of novel antibiotics force targeted and more efficient use of the available drugs. Encapsulation of antimicrobials in nanoparticles or microparticles of organic polymers may have great potential for use in CF therapy.
Inverse Correlation of miRNA and Cell Cycle-Associated Genes Suggests Influence of miRNA on Benign Thyroid Nodule Tumorigenesis (2012)

Abstract Context: The molecular etiology of cold and benign thyroid nodules (CBTNs) is largely unknown. Increased thyroid epithelial cell proliferation is a hallmark of CBTNs. MicroRNAs (miRNAs) are prominent regulators of cell proliferation. Objective: Our objective was to assess the influence of miRNAs on the increased proliferation and thus the molecular etiology of CBTNs. Design: By using microarrays, we defined the molecular pattern of increased proliferation of CBTNs as a differential expression of cell-cycle-associated genes and miRNAs. In silico integration of differentially expressed miRNAs and mRNAs showed an inverse correlation between the expression of 59 miRNAs and 133 mRNAs. Inverse correlations between cell-cycle-associated genes such as CDKN1C and miR-221, CCND1 and miR-31, GADD45A and miR-130b, or CDKN1A and let-7f suggest a modulation of proliferation in CBTNs by miRNAs. Their expression was validated using quantitative RT-PCR and functionally characterized in cell line models. Results: Comparative quantitative RT-PCR of 20 samples of CBTNs and their surrounding tissue revealed an 11-fold down-regulation of miR-31 with a 2.6-fold up-regulation of CCND1, and a 2.6-fold up-regulation of miR-130b with a 2.3-fold down-regulation of its target GADD45A. Using HTori and FTC-133 cell lines, we analyzed proliferation, cell cycle, and apoptosis after transfection of miRNA-31 and miRNA-130b mimic and inhibitors. Overexpression of miR-31 and the resultant down-regulation of CCND1 led to an arrest in the cell cycle phase G1. Overexpression of miR-130b led to an increase of apoptosis and necrosis within 72 h. Conclusion: miR-31 and miR-130b may have an effect on tumorigenesis of CBTNs by regulating proliferation and apoptosis and the cell cycle through cyclin D1.
Properties of ns-laser processed polydimethylsiloxane (PDMS) (2016)

The medical-grade polydimethylsiloxane (PDMS) elastomer is a widely used biomaterial in medicine and for preparation of high-tech devices because of its remarkable properties. In this work, we present the experimental results on drilling holes on the PDMS surface by using ultraviolet, visible or near-infrared ns-laser pulses and on studying the changes of the chemical composition and structure inside the processed areas. The material in the zone of the holes is studied by XRD, ?-Raman analyses and 3D laser microscopy in order to obtain information on the influence of different processing laser parameters, as wavelength, fluence and number of consecutive pulses on the material transformation and its modification.
ChemInform Abstract: Structural and Magnetic Phase Diagram for the MnAs ‐ CrAs System. (1986)

Abstract The structural and magnetic (t,T) phase diagram for Mn, ‐,Cr,As contains five distinct solid solution phases.
Generation of paramagnetic hybrid inorganic/organic thin films (2010)

Abstract There is a growing interest in developing advanced materials for thin film applications in biology, electronics, photonics and engineering. We report the development of hybrid inorganic/organic thin films containing nickel, iron and cobalt paramagnetic materials. By etching the resist in oxygen plasma after processing, most of the organic component of the resist was removed. The elemental chemical composition of the films was confirmed by energy dispersive X‐ray spectroscopy. This process can potentially lead to patterning paramagnetic thin films containing paramagnetic materials by following standard photolithography protocols, obviating the need for a wet or vacuum metal deposition. Copyright © 2010 John Wiley & Sons, Ltd.
ChemInform Abstract: Regioselective Homo‐ and Codimerization of α‐Olefins Catalyzed by Bis(2,4,7‐trimethylindenyl)yttrium Hydride. (1998)

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.
Obtaining Samples Representative of Contaminant Distribution in an Aquifer (2002)

Historically, groundwater samples collected from monitoring wells have been assumed to provide average indications of contaminant concentrations within the aquifer over the well-screen interval. In-well flow circulation, heterogeneity in the surrounding aquifer, and the sampling method utilized, however, can significantly impact the representativeness of samples as contaminant indicators of actual conditions within the surrounding aquifer. This paper identifies the need and approaches essential for providing cost-effective and technically meaningful groundwater-monitoring results. Proper design of the well screen interval is critical. An accurate understanding of ambient (non-pumping) flow conditions within the monitoring well is essential for determining the contaminant distribution within the aquifer. The ambient in-well flow velocity, flow direction and volumetric flux rate are key to this understanding. Not only do the ambient flow conditions need to be identified for preferential flow zones, but also the probable changes that will be imposed under dynamic conditions that occur during groundwater sampling. Once the in-well flow conditions are understood, effective sampling can be conducted to obtain representative samples for specific depth zones or zones of interest. The question of sample representativeness has become an important issue as waste minimization techniques such as low flow purging and sampling are implemented to combat themore » increasing cost of well purging and sampling at many hazardous waste sites. Several technical approaches (e.g., well tracer techniques and flowmeter surveys) can be used to determine in-well flow conditions, and these are discussed with respect to both their usefulness and limitations. Proper fluid extraction methods using minimal, (low) volume and no purge sampling methods that are used to obtain representative samples of aquifer conditions are presented.« less
Prosthesis Loading After Temporomandibular Joint Replacement Surgery: A Musculoskeletal Modeling Study (2015)

One of the most widely reported complications associated with temporomandibular joint (TMJ) prosthetic total joint replacement (TJR) surgery is condylar component screw loosening and instability. The objective of this study was to develop a musculoskeletal model of the human jaw to assess the influence of prosthetic condylar component orientation and screw placement on condylar component loading during mastication. A three-dimensional model of the jaw comprising the maxilla, mandible, masticatory muscles, articular cartilage, and articular disks was developed. Simulations of mastication and a maximum force bite were performed for the natural TMJ and the TMJ after prosthetic TJR surgery, including cases for mastication where the condylar component was rotated anteriorly by 0 deg, 5 deg, 10 deg, and 15 deg. Three clinically significant screw configurations were investigated: a complete, posterior, and minimal-posterior screw (MPS) configuration. Increases in condylar anterior rotation led to an increase in prosthetic condylar component contact stresses and substantial increases in condylar component screw stresses. The use of more screws in condylar fixation reduced screw stress magnitudes and maximum condylar component stresses. Screws placed superiorly experienced higher stresses than those of all other condylar fixation screws. The results of the present study have important implication for the way in which prosthetic components are placed during TMJ prosthetic TJR surgery.
Experimental Data on Binary and Ternary Mixtures of Perfluoromethylcyclohexane with Methane and <i>n-</i>Decane at 373.15 K (2005)

The phase and volumetric measurements of perfluoromethylcyclohexane + methane and perfluoromethylcyclohexane + n-decane and their ternary mixtures at 373.15 K and over a wide range of concentration are presented. The ternary mixtures are used to carry out a constant composition expansion test at 373.15 K. Measurements are made on the liquid bubble point and retrograde dew point pressures and on the single-phase density of the binary mixtures. A high-pressure high-temperature oscillating tube densitometer is used to measure the density.
Donor-Cell Leukemia after Bone Marrow Transplantation for Severe Aplastic Anemia (1991)

ACUTE leukemia after bone marrow transplantation for severe aplastic anemia is a rare event.1 , 2 In previous reports, such leukemia has been shown to originate in host cells.2 We report the development of acute monoblastic leukemia in donor cells nine months after transplantation in a patient with aplastic anemia. We used cytogenetic analysis and a novel application of the polymerase chain reaction (PCR) to show that the leukemia was of donor-cell origin. The donor was hematologically normal at the time of transplantation and has remained so to the time of this writing 18 months later. Case Report A 19-year-old man presented . . .
Synthesis, Characterization and Performance Validation of Hybrid Cation Exchanger Containing Hydrated Ferric Oxide Nanoparticles (HCIX-Fe) for Lead Removal from Battery Manufacturing Wastewater (2016)

This study is aimed to synthesize, characterize and validate the performance of a novel hybrid nanoadsorbent for selective removal of lead from a battery manufacturing wastewater. The hybrid nanosorbent, named as HCIX-Fe, was prepared by impregnating hydrated Fe (III) oxide (HFO) nanoparticles inside polymeric cation exchange resin containing negatively charged sulfonic acid (-SO 3 - ) fixed functional groups. HCIX-Fe was characterized by SEM-EDX and XRD to confirm the distribution and determination of phase of HFO dispersed inside the hybrid nanosorbent. Fixed-bed column runs with HCIX-Fe beads were carried out using wastewater from a battery manufacturing plant. The wastewater had a pH of 1.8 and contained of 3.5 mg/L of Pb 2+ coexisted with 250 mg/L Ca 2+ ions. The results have shown that HCIX-Fe column could treat lead-contaminated water up to 6,500 bed volumes (BVs) before the occurrence of breakthrough concentration of 0.2 mg/L Pb 2+ resulting in a removal capacity of 6.85 mg Pb 2+ /ml of the HCIX-Fe bed. Under similar condition, adsorbent columns with cation exchange resin (C100), granulated activated carbon (GAC) and granulated activated carbon impregnated with HFO (GAC-Fe), could treat the same wastewater only until 400, 900 and 1,500 BVs, respectively. When compared with the parent adsorbents, impregnation by HFO greatly enhanced the Pb 2+ removal capacity of C100 and GAC by 1,625% and 167%, respectively. Both HFO and high density of sulfonic acid (-SO 3 - ) in the host cation exchanger are individually capable of selective removal of Pb 2+ ions; however the hybrid material demonstrated a synergistic effect for Pb 2+ removal through the Donnan Membrane effect. Due to amphoteric behavior of HFO, the HCIX-Fe could be regenerated and reused with 10 BVs of 2% HNO 3 and 1% FeCl 3 ·6H 2 O solution.
Classification and Lateralization of Temporal Lobe Epilepsies with and without Hippocampal Atrophy Based on Whole-Brain Automatic MRI Segmentation (2012)

Brain images contain information suitable for automatically sorting subjects into categories such as healthy controls and patients. We sought to identify morphometric criteria for distinguishing controls (n = 28) from patients with unilateral temporal lobe epilepsy (TLE), 60 with and 20 without hippocampal atrophy (TLE-HA and TLE-N, respectively), and for determining the presumed side of seizure onset. The framework employs multi-atlas segmentation to estimate the volumes of 83 brain structures. A kernel-based separability criterion was then used to identify structures whose volumes discriminate between the groups. Next, we applied support vector machines (SVM) to the selected set for classification on the basis of volumes. We also computed pairwise similarities between all subjects and used spectral analysis to convert these into per-subject features. SVM was again applied to these feature data. After training on a subgroup, all TLE-HA patients were correctly distinguished from controls, achieving an accuracy of 96 ± 2% in both classification schemes. For TLE-N patients, the accuracy was 86 ± 2% based on structural volumes and 91 ± 3% using spectral analysis. Structures discriminating between patients and controls were mainly localized ipsilaterally to the presumed seizure focus. For the TLE-HA group, they were mainly in the temporal lobe; for the TLE-N group they included orbitofrontal regions, as well as the ipsilateral substantia nigra. Correct lateralization of the presumed seizure onset zone was achieved using hippocampi and parahippocampal gyri in all TLE-HA patients using either classification scheme; in the TLE-N patients, lateralization was accurate based on structural volumes in 86 ± 4%, and in 94 ± 4% with the spectral analysis approach. Unilateral TLE has imaging features that can be identified automatically, even when they are invisible to human experts. Such morphometric image features may serve as classification and lateralization criteria. The technique also detects unsuspected distinguishing features like the substantia nigra, warranting further study.
Hydrogen Peroxide Cleaning of Asphalt from Surfaces The Accelerating Rate Calorimetry (ARC™) Study: The Effect of Silica Gel and Solution pH on Hydrogen Peroxide Decomposition (2002)

Abstract The pharmaceutical, fine chemical, photography, and military industries have aggressively sought means of eliminating organic solvents from their cleaning operations because many organic cleaning solvents have been characterized as hazardous or toxic wastes. As a substitute, we previously found that 3% hydrogen peroxide (H
ChemInform Abstract: THE SYNTHESIS OF DL‐5‐ACETYL‐2‐(1‐HYDROXYMETHYLVINYL)‐2,3‐DIHYDROBENZOFURAN AND ITS ESTERS (1978)

Abstract Aus Phenol erhält man mit dem Dibromid (II) das Dihydrobenzofuran (III), das zum Keton (IV) acetyliert wird.
Synthesis and structure of cyclic phosphopeptides containing a phosphodiester linkage (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and structure of cyclic phosphopeptides containing a phosphodiester linkageAnita H. van Oijen, Stefan Behrens, Dale F. Mierke, Horst Kessler, Jacques H. van Boom, and Rob M. J. LiskampCite this: J. Org. Chem. 1993, 58, 14, 3722–3730Publication Date (Print):July 1, 1993Publication History Published online1 May 2002Published inissue 1 July 1993https://pubs.acs.org/doi/10.1021/jo00066a026https://doi.org/10.1021/jo00066a026research-articleACS PublicationsRequest reuse permissionsArticle Views148Altmetric-Citations5LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-AlertscloseSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts
Infrared intensities as a quantitative measure of intramolecular interactions. Part XXXII. Conjugation of the substituent and the triple bond in monosubstituted acetylenes (1974)

The intensity of ν(CC) for monosubstituted acetylenes is determined by resonance interaction with the substituent, as measured by σ°R. Previous literature on electronic interactions in acetylenes is reviewed.
Photobleaching Fabrication of Microring Resonator in a Chromophore-Containing Polymer (2006)

<para xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"> Photobleaching is demonstrated to be a viable method for the fabrication of polymer waveguide microring resonators for the first time. Resonators made with this simple, one-step fabrication technique have shown extinction ratio and insertion loss better than 15 and 9 dB, respectively. This method does not involve solvents or chemicals and can be used to make microring resonators in polymer thin films that are not compatible with other fabrication techniques, and therefore, can be a useful complement to traditional fabrication methods. </para>
The Invisible Beauty of the Biodiversity: The Rubiaceae Taxon (2016)

The Brazilian Biodiversity is one of the richest in the world, distributed in different biomes, among the most important, are the Cerrado, Atlantic Forest and Amazon Rainforest. It is estimated that these ecosystems are home to about 2 million plants, animals and microorganisms, representing a vast field of research. This immense biological treasure visually fills the beauty of the landscapes that has delighted generations and represents an incalculable molecular wealth, often unnoticed, because they are not visually noticeable. In this paper the beauty of the plant species is highlighted by presenting a formidable beauty, which is not visible to the eyes, the molecules can provide great utility. Thus, the chemistry of metabolites extracted from our biodiversity and especially of plants is fascinating and architecturally beautiful. As a highly sophisticated laboratory, plants produce novel structures that stimulate the creativity of chemists and may be useful as drugs, dietary supplements, cosmetics and agrochemicals. Given the molecular complexity and diversity of the many plant groups, the Rubiaceae family was chosen for this short review, for suitably representing the visible and the invisible beauty of our biodiversity.
Geometric determinants of ischemic mitral regurgitation. (1997)

These findings indicate that the geometric determinants of ischemic MR in dogs are complex and involve many parts of the mitral valve apparatus. This complexity suggests that surgical attention to the entire annulus and excursion of the posterior leaflet may be helpful when annuloplasty alone is inadequate.
Ineffectiveness of Precordial Thump for Cardioversion of Malignant Ventricular Tachyarrhythmias (2007)

PT is not effective in terminating malignant ventricular tachyarrhythmia and should be reserved to a situation in which a defibrillator is not available.
Spätergebnisse der Oesophago-Gastrostomie beim sogenannten Kardiospasmus (1956)

Drug Prescribing for Patients with Chronic Kidney Disease in General Practice: a Cross-Sectional Study
Miniaturized Open-Ended Radiator Based on Waveguide Filled with Uniaxial Negative Permeability Metamaterial (2005)

The recently introduced concept of waveguide miniaturization using a uniaxial negative permeability metamaterial is extended to the design of a miniaturized open-ended radiator. The reflection coefficient and radiation pattern of such an antenna are investigated numerically and experimentally. The experimental prototype comprises an open-ended evanescent waveguide with a cross-section of 0.2/spl lambda//spl times/0.2/spl lambda/. The waveguide is filled with negative permeability uniaxial metamaterial based on double-ring resonators in the 7 GHz band and excited with a specially designed probe. The measurements reveal an H-plane radiation pattern with 3 dB beamwidth of approximately 100/spl deg/ and return loss of 13 dB across an operating bandwidth of 5%.
Personalized Video Recommendations for Shared Accounts (2017)

Account sharing is a significant problem for online recommender systems to generate accurate personalized recommendations. To solve this problem, one not only has to identify whether an account is shared, but also needs to recognize the different users sharing that account. However, to generate relevant, personalized recommendations, the particular user under a shared account has to be correctly identified at the time of delivering the recommendations. In this paper, we address this problem by first identifying users behind each account using a projection based unsupervised method, and then learning a function which can predict a user's preference accurately based on their 'contextual' information. This approach allows us to generate personalized recommendations for each of the users sharing a single account. We empirically show that on real and synthetic data set our approach performs better than other state-of-the-art approaches.
The Genome of Rhodomicrobium vannielii, a Polymorphic Prosthecate Bacterium (1980)

The base composition, of Rhodomicrobium vannielii DNA was found to be 62·2% GC, and the genome size was 2·1 × 109 daltons. There was no detectable difference between DNA from each of the three cell expressions examined. Reassociation kinetics indicated that no large group of repeated sequences was present, but that 5 % of the genome was composed of extremely rapidly reassociating sequences. No plasmids were detected. Electron microscopic examination showed that R. vannielii DNA contained short inverted repeat sequences on average 400 base pairs long. The possible function of these sequences is discussed.