548 research outputs found

    Tyrosine kinase inhibitors for the therapy of anaplastic thyroid cancer

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    Anaplastic thyroid cancer (ATC) is often incurable so new therapeutic approaches are needed. Tyrosine kinases inhibitors (such as imanitib, sunitinib or sorafenib) are under evaluation for the treatment of ATC. Other vascular disrupting agents, such as combretastatin A4 phosphate, and antiangiogenic agents, such as aplidin, PTK787/ZK222584 and human VEGF monoclonal antibodies (bevacizumab, cetuximab), have been evaluated. Small-molecule adenosine triphosphate competitive inhibitors directed intracellularly at EGFRs tyrosine kinase, such as erlotinib or gefitinib, are also studied. Furthermore, new molecules have been shown to be active against ATC, such as CLM94 and CLM3. However, more research is needed to finally identify therapies able to control and to cure this disease

    A litmus test for the balanced description of dispersion interactions and coordination chemistry of lanthanoids

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    The influence of long-range interactions on the structure of complexes of Eu(III) with four 9-hydroxy-phenalen-1-one ligands (HPLN) and one alkaline earth metal dication [Eu(PLN)4_{4}AE]+^{+} (AE: Mg, Ca, Sr, and Ba) is analyzed. Through the [Eu(PLN)4_{4}Ca]+^{+} complex, which is a charged complex with two metals—one of them a lanthanoid—and with four relatively fluxional π-ligands, the difficulties of describing such systems are identified. The inclusion of the D3(BJ) or D4 corrections to different density functionals introduces significant changes in the structure, which are shown to stem from the interaction between pairs of PLN ligands. This interaction is studied further with a variety of density functionals, wave-function based methods, and by means of the random phase approximation. By comparing the computed results with those from experimental evidence of gas-phase photoluminescence and ion mobility measurements it is concluded that the inclusion of dispersion corrections does not always yield structures that are in agreement with the experimental findings

    Molecular Diagnostics in the Evaluation of Thyroid Nodules: Current Use and Prospective Opportunities

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    Thyroid cancer is the most common endocrine malignancy with an estimated 43,800 new cases to be diagnosed in 2022 and representing the 7th most common cancer in women. While thyroid nodules are very common, being identified in over 60% of randomly selected adults, only 5-15% of thyroid nodules harbor thyroid malignancy. Therefore, it is incumbent upon physicians to detect and treat thyroid malignancies as is clinically appropriate and avoid unnecessary invasive procedures in patients with benign asymptomatic lesions. Over the last 15-20 years, rapid advances have been made in cytomolecular testing to aid in thyroid nodule management. Initially, indeterminate thyroid nodules, those with Bethesda III or IV cytology and approximately a 10-40% risk of malignancy, were studied to assess benignity or malignancy. More recently, next generation sequencing and micro-RNA technology platforms have refined the diagnostic capacity of thyroid nodule molecular testing and have introduced opportunities to glean prognostic information from both cytologically indeterminate and malignant thyroid nodules. Therefore, clinicians can move beyond determination of malignancy, and utilize contemporary molecular information to aid in decisions such as extent of surgery and post-therapy monitoring plans. Future opportunities include molecularly derived information about tumor behavior, neo-adjuvant treatment opportunities and response to thyroid cancer therapies

    Structural Characterization and Lifetimes of Triple‐Stranded Helical Coinage Metal Complexes: Synthesis, Spectroscopy and Quantum Chemical Calculations

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    This work reports on a series of polynuclear complexes containing a trinuclear Cu, Ag, or Au core in combination with the fac-isomer of the metalloligand [Ru(pypzH)3_{3}](PF6_{6})2_{2} (pypzH=3-(pyridin-2-yl)pyrazole). These (in case of the Ag and Au containing species) newly synthesized compounds of the general formula [{Ru(pypz)3_{3}}2_{2}M3_{3}](PF6_{6}) (2: M=Cu; 3: M=Ag; 4: M=Au) contain triple-stranded helical structures in which two ruthenium moieties are connected by three N-M-N (M=Cu, Ag, Au) bridges. In order to obtain a detailed description of the structure both in the electronic ground and excited states, extensive spectroscopic and quantum chemical calculations are applied. The equilateral coinage metal core triangle in the electronic ground state of 2–4 is distorted in the triplet state. Furthermore, the analyses offer a detailed description of electronic excitations. By using time-resolved IR spectroscopy from the microsecond down to the nanosecond regime, both the vibrational spectra and the lifetime of the lowest lying electronically excited triplet state can be determined. The lifetimes of these almost only non-radiative triplet states of 2–4 show an unusual effect in a way that the Au-containing complex 4 has a lifetime which is by more than a factor of five longer than in case of the Cu complex 2. Thus, the coinage metals have a significant effect on the electronically excited state, which is localized on a pypz ligand coordinated to the Ru atom indicating an unusual cooperative effect between two moieties of the complex

    A revised generic classification for <em>Aloe</em> (Xanthorrhoeaceae subfam. Asphodeloideae)

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    Grace, Olwen M., Klopper, Ronell R., Smith, Gideon F., Crouch, Neil R., Figueiredo, Estrela, RĂžnsted, Nina, Van Wyk, Abraham E. (2013): A revised generic classification for Aloe (Xanthorrhoeaceae subfam. Asphodeloideae). Phytotaxa 76 (1): 7-14, DOI: 10.11646/phytotaxa.76.1.2, URL: http://dx.doi.org/10.11646/phytotaxa.76.1.

    A preliminary assessment of the conservation status of the genus Aloe L. in Madagascar

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    The island of Madagascar harbours 128 species (161 taxa) of Aloe L., which are all endemic to this biodiversity hotspot. Most Malagasy aloes have very restricted distribution ranges and are represented by small populations. Madagascan aloes are very popular in horticulture and an important part of the ornamental plant export industry. The aloes of Madagascar are prone to human pressures that affect the degradation of their natural habitats and their survival. However, there has not been a treatment to assess the conservation status of the Malagasy aloes. Here, for the first time, we aim to provide a risk assessment and make available preliminary conservation statuses for all the known aloes of Madagascar. Specimen information from different herbaria and different websites have been gathered and compiled into a BRAHMS database. The Conservation Assessment Tool was used for data analysis during the conservation assessments. It was found that around 39% of Madagascan aloes are threatened, with only 4% being Least Concern. Of great significance is the fact that almost 50% of the aloes in Madagascar are regarded as Data Deficient, likely leading to a huge underestimate of the percentage of threatened aloes. Further research into Data Deficient taxa and a comprehensive conservation assessment for all the aloes of Madagascar is required. These results will inform priorities in conservation projects concerning aloes and the areas where they occur.Die Insel Madagaskar ist die Heimat von 128 Arten (161 Taxa) von Aloe L., und alle sind in diesem BiodiversitĂ€ts-Hotspot endemisch. Die meisten madagassischen Aloen haben eine sehr beschrĂ€nkte Verbreitung und sind durch kleine Populationen gekennzeichnet. Madagassiche Aloe-Arten sind im gĂ€rtnerischen Bereich geschĂ€tzt, und sie stellen einen wichtigen Teil der Zierpflanzenexportindustrie dar. Die Aloen von Madagaskar werden durch anthropogene Faktoren bedrĂ€ngt, welche zur Degradation ihrer Standorte fĂŒhren und das Überleben gefĂ€hrden. Bisher gab es jedoch keine formelle Beurteilung des GefĂ€hrdungsstatus' der madagassichen Aloen. Hier versuchen wir fĂŒr das erste Mal ĂŒberhaupt eine Beurteilung der Risiken, und wir machen fĂŒr alle bekannten madagassischen Aloen eine vorlĂ€ufige EinschĂ€tzung des GefĂ€hrdungsstandes. Es wurden Angaben zu Belegen aus verschiedenen Herbarien und von verschiedenen Webseiten zusammengetragen und in eine BRAHMS-Datenbank zusammengestellt. Das Werkzeug fĂŒr die Beurteilung des GefĂ€hrdungsstatus wurde dann wĂ€hrend der Evaluation zur Datenanalyse verwendet. Es zeigte sich, dass rund 39% der madagassischen Aloe-Arten gefĂ€hrdet sind, und nur 4% gehören in die Kategorie "Least Concern". Von besonderer Wichtigkeit ist die Tatsache, dass fĂŒr fast 50% der madagassischen Aloen unzureichende Angaben vorhanden sind, was wahrscheinlich zu einer deutlichen UnterschĂ€tzung des Prozentsatzes gefĂ€hrderter Aloen fĂŒhrt. Es braucht weitere Un-tersuchungen dieser "Data Deficient"-Taxa sowie umfassende EinschĂ€tzungen des GefĂ€hrdungsstatus' aller madagassichen Aloen. Diese Resultate ergeben die Grundlage fĂŒr die PrioritĂ€tensetzung bei Schutzprojekten fĂŒr Aloe sowie die Gegenden, in welchen sie vorkommen.http://www.bcss.org.uk/brad.phpam201

    Aloiampelos tenuior var. ernstii, a new orange-flowered variety of rambling aloe (Asphodelaceae subfam. Alooideae)

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    A red- and several yellow-flowered variants of Aloiampelos tenuior (Asphodelaceae subfam. Alooideae), a species of scrambling aloe, are well known, including in cultivation, and apart from the autonymic variety, at least four others have been given taxonomic recognition at that rank. The yellow-flowered varieties of A. tenuior are predominantly, but not exclusively, based on vegetative characters, while the red-flowered variety is distinguished by its flower colour, as well as vegetative characters. The orange-flowered form of A. tenuior, which is much less common in cultivation than A. tenuior var. tenuior or A. tenuior var. rubriflora, is here described as A. tenuior var. ernstii.https://www.mapress.com/ptdm2022Plant Production and Soil Scienc

    The furan microsolvation blind challenge for quantum chemical methods: First steps

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    © 2018 Author(s). Herein we present the results of a blind challenge to quantum chemical methods in the calculation of dimerization preferences in the low temperature gas phase. The target of study was the first step of the microsolvation of furan, 2-methylfuran and 2,5-dimethylfuran with methanol. The dimers were investigated through IR spectroscopy of a supersonic jet expansion. From the measured bands, it was possible to identify a persistent hydrogen bonding OH-O motif in the predominant species. From the presence of another band, which can be attributed to an OH-π interaction, we were able to assert that the energy gap between the two types of dimers should be less than or close to 1 kJ/mol across the series. These values served as a first evaluation ruler for the 12 entries featured in the challenge. A tentative stricter evaluation of the challenge results is also carried out, combining theoretical and experimental results in order to define a smaller error bar. The process was carried out in a double-blind fashion, with both theory and experimental groups unaware of the results on the other side, with the exception of the 2,5-dimethylfuran system which was featured in an earlier publication

    Scattering length of the ground state Mg+Mg collision

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    We have constructed the X 1SIGMAg+ potential for the collision between two ground state Mg atoms and analyzed the effect of uncertainties in the shape of the potential on scattering properties at ultra-cold temperatures. This potential reproduces the experimental term values to 0.2 inverse cm and has a scattering length of +1.4(5) nm where the error is prodominantly due to the uncertainty in the dissociation energy and the C6 dispersion coefficient. A positive sign of the scattering length suggests that a Bose-Einstein condensate of ground state Mg atoms is stable.Comment: 15 pages, 3 figures, Submitted Phys. Rev.
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