Exhaustive set of non-isomorphic sub-graphs and its application to chemical structure elucidation using a IR spectroscopy database

2000 ◽  
Vol 409 (1-2) ◽  
pp. 181-195 ◽  
Author(s):  
V.N. Piottukh-Peletsky ◽  
I.K. Korobeinicheva ◽  
T.F. Bogdanova ◽  
S.G. Molodtsov ◽  
B.G. Derendyaev
Keyword(s):  
Ir Spectroscopy ◽  
Structure Elucidation ◽  
Chemical Structure

Assessment of the Structure of Polysilicate Binding with Added Glycerol

2020 ◽  
Vol 987 ◽  
pp. 15-19 ◽  
Author(s):  
Valentina I. Loganina ◽  
Yerkebulan Bisengalievich Mazhitov ◽  
Yuri Petrovich Skachkov
Keyword(s):  
Ir Spectroscopy ◽  
Liquid Glass ◽  
Chemical Structure ◽  
Partial Replacement ◽  
Potassium Ions ◽  
Hydrogen Ions

The article presents the results of the study of the properties of the sol of silicate paint. The chemical structure of the polysilicate solutions obtained with the addition of glycerol was studied by IR spectroscopy. It is shown, that the interaction of potassium liquid glass and glycerol is weak and due to the partial replacement of hydrogen ions by potassium ions.

scholarly journals Ubiquitin-Proteasome Modulating Dolabellanes and Secosteroids from Soft Coral Clavularia flava

Marine Drugs ◽  
2020 ◽  
Vol 18 (1) ◽  
pp. 39
Author(s):  
Che-Yen Chiu ◽  
Xue-Hua Ling ◽  
Shang-Kwei Wang ◽  
Chang-Yih Duh
Keyword(s):  
Inhibitory Activity ◽  
Structure Elucidation ◽  
Chemical Structure ◽  
Soft Coral ◽  
Proteasome Inhibitors ◽  
Proteasome Inhibition ◽  
Structural Elucidation ◽  
Bioactive Molecules ◽  
High Content Screening ◽  
Ubiquitin Proteasome

We performed a high-content screening (HCS) assay aiming to discover bioactive molecules with proteasome inhibitory activity. By structural elucidation, we identified six compounds purified from soft coral Clavularia flava, which potentiates proteasome inhibition. Chemical structure elucidation revealed they are dolabellane- and secosteroid-based compounds including a new dolabellane, clavinflol C (1), three known dolabellanes, stolonidiol (2), stolonidiol-17-acetate (3), and clavinflol B (4) as well as two new secosteroids, 3β,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione (5) and 3β,11-dihydroxy-24-methylene-9,11-secocholest-5-en-9,23-dione (6). All six compounds show less cytotoxicity than those of known proteasome inhibitors, bortezomib and MG132. In summary, the high-content measurements of control inhibitors, bortezomib and MG132, manifest the highest ratio >2 in high-content measurement. Of the isolated compounds, 2 and 5 showed higher activity, followed by 3 and 6, and then 1 and 4 exhibited moderate inhibition.

New Tools for Structure Elucidation in the Gas Phase: IR Spectroscopy of Bare and Doped Silicon Nanoparticles

2010 ◽  
pp. 183-206
Author(s):  
Philipp Gruene ◽  
Jonathan T. Lyon ◽  
Gerard Meijer ◽  
Peter Lievens ◽  
Andrée Fielicke
Keyword(s):  
Ir Spectroscopy ◽  
Gas Phase ◽  
Structure Elucidation ◽  
Silicon Nanoparticles ◽  
Doped Silicon

scholarly journals Characterization of polydimethylsiloxane rubber upon photochemical, thermal, salt-fog ageings and exposure to acid vapours

e-Polymers ◽  
2006 ◽  
Vol 6 (1) ◽  
Author(s):  
F. Delor-Jestin ◽  
N. S. Tomer ◽  
R.P. Singh ◽  
J. Lacoste
Keyword(s):  
Ir Spectroscopy ◽  
Chemical Structure ◽  
Mesh Size ◽  
Cross Linking ◽  
Scanning Calorimetry ◽  
New Knowledge ◽  
Salt Fog ◽  
Complementary Analysis ◽  
Thermal Stability Of

AbstractThe changes in the chemical structure and the physical properties of a filled crosslinked polydimethylsiloxane rubber were monitored as a function of various ageing factors. The variables included photochemical, thermal, salt-fog ageings and exposure to acid vapours. Unaged and aged samples were studied by IR spectroscopy, hardness measurements, Differential Scanning Calorimetry (DSC) and thermogravimetric analysis (TGA) coupled with IR spectroscopy. No significant oxidation was detected after all ageings, except for nitric acid treatment. The presence of aluminium trihydrate was clearly identified as responsible for the observed chemical changes. Then an important vulnerability of this filled silicone rubber towards the cross-linking reactions provoked by usual ageings was also detected. The DSC-thermoporosimetry measurements of the mesh size distribution gave a comparison of cross-linking densities for each ageing. The complementary analysis with TGAIR allowed us to differenciate the thermal stability of the formulation after various ageings and to acquire new knowledge about thermal decomposition.

Chemical structure elucidation of total lignins in woods. Part II: Analysis of a fraction of residual wood left after MWL isolation and solubilized in lithium chloride/N,N-dimethylacetamide

Holzforschung ◽  
2006 ◽  
Vol 60 (6) ◽  
pp. 653-658 ◽  
Author(s):  
Hiroyuki Furuno ◽  
Toshiyuki Takano ◽  
Shuichi Hirosawa ◽  
Hiroshi Kamitakahara ◽  
Fumiaki Nakatsubo
Keyword(s):  
Lithium Chloride ◽  
Structure Elucidation ◽  
Chemical Structure ◽  
Soluble Fraction ◽  
Elution Curve ◽  
Mass Region ◽  
Milled Wood Lignin ◽  
Cellulose Solvent ◽  
Lignin Fraction ◽  
Partial Degradation

Abstract The residual wood meal left after extraction of milled wood lignin (MWL) was extracted with lithium chloride/N,N-dimethylacetamide, which is a well-known cellulose solvent, to afford a soluble fraction (cellulose-lignin fraction; CL) in 36.7% yield. The UV elution curve of CL acetate has the same profile as its refractive index (RI) elution curve. After partial degradation of CL by cellulase, the UV elution curve of CL acetate shifted to the low-molecular-mass region in a similar fashion as its RI elution curve. These results indicate that the lignin in CL (CL lignin) is chemically bonded to cellulose. On the other hand, half of the CL lignin was removed by xylanase treatment. It was concluded that approximately half of the CL lignin existed as a lignin-cellulose-xylan complex.

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