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  • Structural
  • W. Zhou, L. Liu, and P. Wu, "Structural, electronic and thermo-elastic properties of Cu 6 Sn 5 and Cu 5 Zn 8 intermetallic compounds: first-principles investigation," Intermetallics , vol. 18, pp. 922-928, 2010. (hindawi.com)
  • Bajorath J (2000) Molecular organization, structural features, and ligand binding characteristics of Cd44, a highly variable cell surface glycoprotein with multiple functions. (springer.com)
  • volatile
  • ISO 17052:2007 specifies a method for the determination of residual monomers and other volatile low-molecular-mass compounds in raw rubber by capillary column gas chromatography using a thermal desorption (also known as dynamic headspace) method. (iso.org)
  • This method has the advantages of not requiring a solvent, of concentrating the volatile compounds and of introducing them to the chromatograph in a very precise manner. (iso.org)
  • Mixtures
  • The anhydrous glycerol is preferably mixed with anhydrous methanol, mixtures of 1 - 5 parts,* in particular 2 parts,* of methanol with 1 - 7, in particular 3 parts,* of glycerol preferably being used. (google.com)
  • monomers
  • The compounds found in the raw rubber which are to be determined are defined as residual monomers, solvents and other low-molecular-mass compounds in the boiling point range of C4 to C12 hydrocarbons. (iso.org)
  • anti-inflammatory
  • A topological-mathematical model, obtained by linear discriminant analysis, has been developed for the search of new anti-inflammatory natural compounds. (mdpi.com)
  • Finally, a virtual screening on natural products was performed and 74 compounds showed actual anti-inflammatory activity. (mdpi.com)
  • This can be seen as a plus in the model validation and as a reinforcement of the role of Molecular Topology as an efficient tool for the discovery of new anti-inflammatory natural compounds. (mdpi.com)
  • Calculations
  • First-principles theoretical calculations reveal not only the expected nearest-neighbor Mn III 2 exchange couplings via superexchange pathways through bridging ligands but also an unusual, direct Mn III -Ce IV -Mn III metal-to-metal channel involving the Ce IV f orbitals. (osti.gov)
  • The progress in quantum chemical calculations, including efficient solvation models, has brought about the development of effective computational protocols that allow accurate (to 0.05 V) reproduction of experimental redox potentials of mono- and dinuclear complexes, including electrocatalytically relevant systems and mixed-valence compounds. (springer.com)
  • methyl
  • A novel two-dimensional polymeric silver(I)-diclofenac complex incorporating additional 2,5-di-methyl-pyrazine bridging ligands has been tested for its in vitro anti-bacterial activity and is determined to be highly effective on the studied microorganisms. (iucr.org)
  • Reactions
  • Interface reactions in microelectronic solder joints and associated intermetallic compounds: an investigation of their mechanical properties using nanoindentation," in Proceedings of the IEEE Electronic Packaging Technology Conference , pp. 726-731, Singapore, 2003. (hindawi.com)
  • chromatography
  • A hot water extract of agarwood remaining in the distillation flask after distillation was analyzed by high-performance liquid chromatography (HPLC), and agarotetrol was found to be the main compound. (springer.com)
  • ligand
  • Molecular docking approach using Lamarckian Genetic Algorithm was carried out to find the potent inhibitors for VP40 based on calculated ligand-protein pairwise interaction energies. (bioinformation.net)
  • interactions
  • Therefore, as a conventional technology in the early phase of active lead compound discovery, computational methods that can connect molecular interactions and disease-related phenotypes to evaluate the efficacy of compounds are in urgently required. (rsc.org)
  • Meanwhile, the good correlation of the computational model with the wet experimental results might bridge the gap between molecule-target interactions and phenotypic response, especially for multi-target compounds. (rsc.org)
  • Further, magnetic studies have established that Ce 3 Mn 8 exhibits both the combination of pairwise Mn III 2 ferromagnetic and antiferromagnetic exchange interactions, and the resultant spin vector alignments that are found within the 3-D C-type antiferromagnetic perovskites. (osti.gov)
  • Tomasi J, Persico M (1994) Molecular interactions in solution: an overview of methods based on continuous distributions of the solvent. (springer.com)
  • and ( c ) atypical PKCs (ζ and ι/λ), which are not regulated by phosphatidylserine, diacylglycerol, or Ca 2+ but are activated by 3-phosphoinositides, phosphoinositide-dependent kinase 1, and specific protein-protein interactions, including direct interaction with Ras protein ( 2 ). (aacrjournals.org)
  • The MCP compounds were identified as inhibitors of Ras-Raf interactions and previously shown to inhibit multiple Ras-dependent transformation phenotypes when used as monoagents in cell culture analyses. (aacrjournals.org)
  • inhibitors
  • In this work, a series of novel quinazoline- and thiourea-containing sorafenib analogs ( 10a - v ) were designed and synthesized as EGFR and VEGFR-2 dual TK inhibitors. (mdpi.com)
  • EGFR inhibition can decrease VEGF expression and attenuate angiogenesis, in the meantime leading to VEGFR-2 upregulation, and ultimately giving rise to the resistance of EGFR inhibitors [ 5 , 6 ]. (mdpi.com)
  • Most of these tyrosine kinase inhibitors contain various quinazoline scaffolds that can interact with the ATP-binding pocket of EGFR and VEGFR-2. (mdpi.com)
  • novel
  • Here, we investigated Urolithin A (Uro A), a novel natural compound derived from pomegranates, which targets numerous kinases downstream of KRAS, in particular the PI3K/AKT/mTOR signaling pathways. (aacrjournals.org)
  • receptor
  • In some tumors, Ras is directly activated by mutation, whereas in others the constitutive signaling of upstream regulatory factors, such as the epidermal growth factor receptor, promote deregulated activation of wild-type Ras ( 2 ). (aacrjournals.org)
  • represents
  • Both EGFR and VEGFR-2 play a critical role in tumor growth, angiogenesis and metastasis, and targeting EGFR and VEGFR-2 simultaneously represents a promising approach to cancer treatment. (mdpi.com)