gebhart/patrepeval huggingface dataset:
An Ab Initio Approach to Crystal Structure Determination Using High-Resolution Powder Diffraction and Computational Chemistry Techniques: Application to 6,13-Dichlorotriphendioxazine (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAn Ab Initio Approach to Crystal Structure Determination Using High-Resolution Powder Diffraction and Computational Chemistry Techniques: Application to 6,13-DichlorotriphendioxazinePaul G. Fagan, Robert B. Hammond, Kevin J. Roberts, Robert Docherty, Alan P. Chorlton, William Jones, and Graham D. PottsCite this: Chem. Mater. 1995, 7, 12, 2322–2326Publication Date (Print):December 1, 1995Publication History Published online1 May 2002Published inissue 1 December 1995https://pubs.acs.org/doi/10.1021/cm00060a021https://doi.org/10.1021/cm00060a021research-articleACS PublicationsRequest reuse permissionsArticle Views98Altmetric-Citations13LEARN 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-Alertsclose Get e-Alerts
Étude expérimentale et numérique d'un implant de hanche en composite CFRP: Analyse par thermographie IR (2011)

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Effect of inhibition of protein kinase C delta (PKCδ) on pancreatic cancer cells. (2012)

e14591 Background: 93% of pancreatic cancers have activating mutations in the K-Ras gene. We have previously shown that mutated, constitutively-activated Ras is lethal to cells if an essential Ras-driven survival pathway is disrupted by suppression of PKCδ. PKCδ has various cellular functions, but is not required for the survival of normal cells and its inhibition in vitro or in vivo has no known adverse effects. Signal transducer and activator of transcription 3 (STAT3) is constitutive driver of many solid cancers, including pancreatic cancers. STAT3 requires phosphorylation of Tyr 705 for activation and, once activated translocates to the nucleus, where it controls genes involved in cell survival or death. Methods: Human pancreatic cancer cell lines PancI, MIAPACA and primary human pancreatic cancer stem cells were studied. shRNA-mediated knockdown of PKCδ, with scrambled shRNA as a control, was used to validate PKCδ as a target. Rottlerin and KAM1 were used as relatively specific PKCδ inhibitors. For inhibition of STAT3, specific shRNA against STAT3 versus scrambled shRNA were employed for knock-downs. For cytotoxicity analyses, MTS assays were used to assess cell growth. Z-vad-FMK was used as a pan-caspase inhibitor. Immunoblotting was used to verify knock-down of PKCδ or STAT3 and to quantify the phosphorylation status of STAT3 phospho-Tyr 705. Results: PKCδ inhibition by either shRNA knock-down or inhibitor led to dephosphorylation of STAT3 at Tyr 705, extensive cytotoxicity of pancreatic cancer cells and dramatic reductions in tumor clonogenic capacity. Knock down of STAT3 was equally cytotoxic to pancreatic cancer cells. Cytotoxicity following PKCδ inhibition was not prevented by a pan-caspase inhibitor. Conclusions: Activated STAT3 and survival in pancreatic cancer cells requires PKCδ. Inhibition of PKCδ, and subsequent suppression of STAT3 activation, is cytotoxic for pancreatic cancer cells through a mechanism independent of caspase activation or apoptosis. Small molecule inhibitors of PKCδ have potential as targeted therapeutic agents against pancreatic tumors, pancreatic cancer stem cells, and other human tumors with mutational activation of Ras.
Fate of Listeria monocytogenes and Shiga Toxin-Producing Escherichia coli on Bresaola Slices During Storage (2022)

The viability of multistrain cocktails of genetically marked strains of Listeria monocytogenes and Shiga toxin-producing Escherichia coli (STEC) were separately monitored on slices of one brand of a commercially produced bresaola (ca. pH 6.7 and aw 0.899) during extended storage at refrigeration and abusive temperatures. Two slices (ca. 8 g each; ca.10.2 cm wide, ca. 11 cm long) of bresaola were layered horizontally within a nylon-polyethylene bag. The outer surface of each slice was inoculated (50μL total; ca. 3.5 log colony-forming units [CFU]/package) with a rifampicin-resistant (100μg/mL) cocktail of either L. monocytogenes (5 strains) or STEC (8 strains). Bags were vacuum-sealed and then stored at 4°C or 10°C for 180 or 90 d, respectively. In each of 5 trials, 3 bags were analyzed for pathogen presence at each sampling interval via the US Department of Agriculture–Agricultural Research Service package rinse method. In general, levels of L. monocytogenes and STEC decreased by 3.0 and 2.4 log CFU/package, respectively, after 180 d when bresaola was stored at 4°C. When bresaola was stored at 10°C for 90 d, levels of L. monocytogenes and STEC decreased by 2.4 and 3.1 log CFU/package, respectively. Thus, the sliced bresaola evaluated herein did not provide a favorable environment for either persistence or outgrowth of surface-inoculated cells of L. monocytogenes or STEC.
The Effect of Solvent based Nanofluid Flooding on Heavy Oil Recovery (2020)

Abstract The objective of this study is to investigate the effect of solvent based nanofluid flooding followed by waterflooding on heavy oil recovery performance and sweep efficiency improvement in unconsolidated oil-wet porous media. The sweep efficiency improvement is correlated with in-situ emulsion generation during such displacement and is monitored with a CT scanner. Partially hydrophobic silica NPs with proper interface affinity was firstly synthesized, and subsequently dispersed in toluene along with a surfactant to prepare the solvent based nanofluid. The solvent based nanofluid was then injected into an oil saturated sandpack at different slug sizes and further chased by brine to investigate the sweep efficiency improvement through possible emulsification. To investigate the beneficial effect of NPs, the aforementioned flooding was compared against conventional solvent flooding followed by waterflooding. The displacement patterns were monitored with a CT-scanner to assess the heavy oil recovery performance in the absence or presence of the solvent based nanofluid. The fluid density profiles during solvent based NF flooding followed by waterflooding were extracted from CT-scan images and compared against conventional solvent flooding followed by waterflooding to assess potential sweep efficiency improvement. The results revealed an increase in sweep efficiency during solvent based NF flooding followed by waterflooding. This was related to the creation of in-situ emulsion at the water-diluted oil interface due to the presence of NPs and surfactant in diluted oil. Unlike conventional solvent flooding where post water created several fingers through porous media, the water phase in solvent based nanofluid flooding was able to displace all the lower resistance paths created by the solvent based nanofluid. Moreover, chase water was able to recover almost all of the solvent in solvent based NF flooding, which is essential for the process to be economically viable. In general, the presence of solvent based NF was found to be effective in re- distributing the preferential water flow paths in to a more uniform front, which suppressed the fingering in turn and resulted in later water breakthrough, better sweep efficiency, and higher oil recovery. The proposed solvent based nanofluid flooding has not been tested so far as a heavy oil recovery technique. Unlike conventional solvent flooding which can suffer from high residual solvent to waterflooding, this technique revealed negligible residual solvent upon waterflooding. Moreover, it was found to be effective in sweep efficiency improvement and heavy oil recovery compared to conventional solvent flooding.
Abstract B198: The pattern of <i>in vivo</i> biological activity of Zalypsis® is different from that of trabectedin (2009)

Abstract Trabectedin is a tetrahydroisoquinoline molecule that was originally derived from the Caribbean marine tunicate Ectenaiscidia turbinata and is now produced by chemical synthesis. The compound is approved in the European Union and a number of other countries for use in patients with advanced soft tissue sarcomas. Zalypsis® (PM00104) is a novel synthetic tetrahydroisoquinoline structurally related to jorumycin. Both compounds have a similar A and B ring structures that bind DNA but differ in their C ring which protrudes out of DNA and is possibly relevant for the interaction with DNA binding proteins, including DNA repair proteins and transcription factors. In the present study, we characterized the in vivo antitumor activity compared to trabectedin. The antitumor activity of Zalypsis® was investigated in two murine models, M5076 reticulosarcoma and MNMCA1 fibrosarcoma, respectively metastasizing liver and lung. Zalypsis® (0.9 mg/kg) and trabectedin (0.15 mg/kg) were administered intravenously every week for three times (q7dx3). In both models Zalypsis® was very effective in inhibiting the primary tumors (T/C 18% and 20% respectively). In the case of MNMCA1, it was also effective against metastasis whereas it was inactive against liver metastasis of M5076 sarcoma. In the two experiments, trabectedin was very effective against metastasis although against M5076 sarcoma it was only marginally able to inhibit primary tumor growth (T/C 52%). In Cen3 tel sarcoma, of human origin, Zalypsis® was very effective with a T/C of 19% whereas trabectedin was essentially inactive (T/C 78%). In contrast Zalypsis® was less effective than trabectedin against HOC22 ovarian carcinoma. In summary it appears that Zalypsis® is biologically different from trabectedin when tested on in vivo tumor models, therefore its clinical development should not necessarily addressed to the same tumors that have shown sensitivity to trabectedin. Citation Information: Mol Cancer Ther 2009;8(12 Suppl):B198.
ChemInform Abstract: A New Irreversible Inhibitor of Soybean Lipoxygenase: Relevance to Mechanism. 12‐Methylidene‐10(Z),13(Z)‐nonadecadienoic Acid, a New Irreversible Inhibitor of Soybean Lipoxygenase. (1986)

Abstract Soybean lipoxygenase brings about conversion of arachidonic acid (I) to the peroxide (II).
Liquid Nickel Salts: Synthesis, Crystal Structure Determination, and Electrochemical Synthesis of Nickel Nanoparticles (2015)

New nickel-containing ionic liquids were synthesized, characterized and their electrochemistry was investigated. In addition, a mechanism for the electrochemical synthesis of nanoparticles from these compounds is proposed. In these so-called liquid metal salts, the nickel(II) cation is octahedrally coordinated by six N-alkylimidazole ligands. The different counter anions that were used are bis(trifluoromethanesulfonyl)imide (Tf2 N(-) ), trifluoromethanesulfonate (OTf(-) ) and methanesulfonate (OMs(-) ). Several different N-alkylimidazoles were considered, with the alkyl sidechain ranging in length from methyl to dodecyl. The newly synthesized liquid metal salts were characterized by CHN analysis, FTIR, DSC, TGA and viscosity measurements. An odd-even effect was observed for the melting temperatures and viscosities of the ionic liquids, with the complexes with an even number of carbon atoms in the alkyl chain of the imidazole having a higher melting temperature and a lower viscosity than the complexes with an odd number of carbons. The crystal structures of several of the nickel(II) complexes that are not liquid at room temperature were determined. The electrochemistry of the compounds with the lowest viscosities was investigated. The nickel(II) cation could be reduced but surprisingly no nickel deposits were obtained on the electrode. Instead, nickel nanoparticles were formed at 100 % selectivity, as confirmed by TEM. The magnetic properties of these nanoparticles were investigated by SQUID measurements.
Anatomic reconstruction of anterior cruciate ligament: concept, indication and its efficacy (2019)

The anterior cruciate ligament (ACL) is a dynamic structure, rich in neurovascular supply and comprised of distinct bundles, which function synergistically to facilitate normal knee kinematics in concert with bony morphology. Characterized by individual uniqueness, the ACL is inherently subject to both anatomic and morphological variations as well as physiologic aging. With an expanding knowledge of ACL structure and function, reconstructive techniques increasingly seek to restore the ACL to its native dimensions, collagen orientation, and insertion sites. Furthermore, growing appreciation for morphological variation among individual patients warrants a personalized approach, including the selection of appropriate graft type and size. This article highlights our current understanding of the anatomy and function as well as our approach to individualized, anatomic ACL reconstruction. Future directions for improved treatment of ACL injuries are also considered.
ChemInform Abstract: THE REACTION OF NITRILES WITH MERCAPTOACETIC ACID. A NEW SYNTHESIS OF THIAZOLE DERIVATIVES (1982)

Abstract Benzoylacetonitril (I) reagiert mit Mercaptoessigsäure (II) über ein Addukt (III) zum 4‐Hydroxy‐thiazol (IV), das mit aromatischen Aldehyden zu (V) kondensiert wird.
Simulated Bennett Fracture Treated with Closed Reduction and Percutaneous Pinning. A Biomechanical Analysis of Residual Incongruity of the Joint*† (1997)

There is no biomechanical basis for predisposition to post-traumatic osteoarthrosis after a Bennett fracture with a small palmar-beak component and a residual two-millimeter articular step-off, provided that the fragments of the shaft and the beak heal in close apposition. This suggests that reduction of the metacarpal shaft relative to the trapezium and the beak fragment, rather than strict anatomical restoration of the joint surface, should be the priority of treatment. Bennett fractures that can be reduced with articular incongruity of no more than two millimeters may be treated satisfactorily with closed reduction and percutaneous pinning without the need for open anatomical reduction and internal fixation of the joint surface.
Modeling data repository and formalizing content-based queries for image databases (2002)

Content-based image retrieval is one of the current active and promising research topics in image analysis and image management. The work of transferring the results of this research to support images in DBMS has also been initiated by many researchers and commercial systems. We first illustrate the importance of using content-based operations in combination with the traditional database operations. Then, we propose an image repository model that supports content-based operations on image databases. Furthermore, we introduce our novel similarity-based operators on image tables and investigate their properties. Finally, we investigate the use of the novel content-based operators in combination with the relational operators on image and relational tables.
Conducting Molecular Biomarker Discovery Studies in Plants (2012)

Molecular biomarkers are molecules whose concentrations in a biological system inform about the current phenotypical state and, more importantly, may also be predictive of future phenotypic trait endpoints. The identification of biomarkers has gained much attention in targeted plant breeding since technologies have become available that measure many molecules across different levels of molecular organization and at decreasing costs. In this chapter, we outline the general strategy and workflow of conducting biomarker discovery studies. Critical aspects of study design as well as the statistical data analysis and model building will be highlighted.
The evolution of an acoustic homing system for underwater vehicles (2012)

The initial testing of the homing concept, the Explorer version of the Long-Range Acoustic Bearing (LRAB), and a new first-stage of system miniaturization that will allow the homing device to be used in medium-sized Autonomous Underwater Vehicles (AUV), is described. The CTA was built with PVC tubes and plate and was lowered to mid-water depth, while a portable source was moved to a number of different locations around the central location of the CTA. Data were collected for various frequencies, source levels, and source depths. The results of acoustic homing under the ice in the Arctic Ocean near the Sever Spur during spring 2010 were collected. The AUV activated the homing mode when it was expected to be within 50 km of an ice camp that was drifting freely. The abrupt course change at 'Homing Start' is a consequence of the unknown camp drift.
PGE<sub>2</sub>‐EP<sub>2</sub> signalling in endothelium is activated by haemodynamic stress and induces cerebral aneurysm through an amplifying loop via NF‐κB (2011)

These results suggest that shear stress activated PGE(2) -EP(2) pathway in ECs and amplified chronic inflammation via NF-κB. We propose EP(2) as a therapeutic target in cerebral aneurysm.
Motor Insulation Aging Diagnosis with Pre-Installed Current Sensors for Inverter Control (2018)

In order to avoid a sudden failure of equipment, online diagnosis technique of motors is desired. To develop an insulation aging diagnosis technology using pre-installed current sensor, waveform of pre-installed current sensors is recorded for several insulation aging conditions. Initial and late insulation aging conditions are simulated by connecting the several capacitors to the motor. By comparing the Lissajous figure of each insulation aging state, it was revealed that the Lissajous figure became thicker as the insulation aging states progressed. Local Subspace Classifier was applied as a method to calculate the degree of abnormality of the changes of Lissajous figure and confirmed that LSC was able to detect the rise in abnormality degree due to progression of insulation aging.
Combined Temperature and Force Control for Robotic Friction Stir Welding (2013)

Use of robotic friction stir welding (FSW) has gained in popularity as robotic systems can accommodate more complex part geometries while providing high applied tool forces required for proper weld formation. However, even the largest robotic FSW systems suffer from high compliance as compared to most custom engineered FSW machines or modified computer numerical control (CNC) mills. The increased compliance of robotic FSW systems can significantly alter the process dynamics such that control of traditional weld parameters, including plunge depth, is more difficult. To address this, closed-loop control of plunge force has been proposed and implemented on a number of systems. However, due to process parameter and condition variations commonly found in a production environment, force control can lead to oscillatory or unstable conditions and can, in extreme cases, cause the tool to plunge through the workpiece. To address the issues associated with robotic force control, the use of simultaneous tool interface temperature control has been proposed. In this paper, we describe the development and evaluation of a closed-loop control system for robotic friction stir welding that simultaneously controls plunge force and tool interface temperature by varying spindle speed and commanded vertical tool position. The controller was implemented on an industrial robotic FSW system. The system is equipped with a custom real-time wireless temperature measurement system and a force dynamometer. In support of controller development, a linear process model has been developed that captures the dynamic relations between the process inputs and outputs. Process validation identification experiments were performed and it was found that the interface temperature is affected by both spindle speed and commanded vertical tool position while axial force is affected primarily by commanded vertical tool position. The combined control system was shown to possess good command tracking and disturbance rejection characteristics. Axial force and interface temperature was successfully maintained during both thermal and geometric disturbances, and thus weld quality can be maintained for a variety of conditions in which each control strategy applied independently could fail. Finally, it was shown through the use of the control process model, that the attainable closed-loop bandwidth is primarily limited by the inherent compliance of the robotic system, as compared to most custom engineered FSW machines, where instrumentation delay is the primary limiting factor. These limitations did not prevent the implementation of the control system, but are merely observations that we were able to work around.
DNA Typing Analysis (2006)

DNA typing analysis consists in generating and interpreting allelic profiles for the purpose of identifying an individual, a representative from a given group or species, or to determine the origin/provenance of biological material such as cells, clinical specimens, and forensic evidence. The process capitalizes on length differences or sequence variations (collectively referred to as polymorphisms) associated with discrete regions within the genomes of living organisms. These genetic differences are examined using a variety of DNA profiling strategies that utilize different modes of detection to reveal the polymorphic nature of the target DNA segments. The choice of method adopted is largely dictated by the nature, quantity, and physical state of the sample to be identified. Each of these considerations, in addition to the current state of knowledge regarding the sequence, structure, and organization of an organism's nuclear and organelle genomes, will also determine what type of polymorphisms can be surveyed. Polymorphic allele patterns can be represented as bar code–like profiles, peaks on tracings, photographic bars or dots on X-ray films, or colored spots on solid supports or computer monitors. DNA typing can be applied to any biological material that contains DNA such that current applications reach across every taxonomic kingdom. DNA typing analysis is particularly powerful because no two individuals or strains, with the exception of genetically identical twins and clones, share the same allele complement for multiple polymorphic loci. In addition, with the advent of DNA typing strategies based on the polymerase chain reaction (PCR), investigators have advanced beyond conventional restriction fragment length polymorphism (RFLP) analysis and can carry out reliable, accurate, precise, and sensitive identifications from only minute quantities of starting biological material. This, coupled with the surprising chemical stability and longevity of DNA, has had a major impact in forensic science for the resolution of violent crimes or the identification of human skeletal remains from the scenes of mass disasters. Today, DNA typing analysis is employed in almost every discipline under the biological sciences. It continues to prove instrumental to studies on human origins and diversity, in clinical medicine to resolve the identity of specimens, ascertain the provenance of transplantable tissues and organs, and expedite the identification of viral and microbial pathogens, and in guiding the manner in which animal, plant, and insect breeding programs are being conducted and followed. This article describes the general principles underlying DNA typing analysis, summarizes and compares currently available methods for specimen identification, and provides an overview of applications in the field of forensics and the biological sciences.