scholarly journals Two New Oxindole Alkaloid Glycosides from the Leaves of Nauclea officinalis

2015 ◽  
Vol 10 (12) ◽  
pp. 1934578X1501001
Author(s):  
Long Fan ◽  
Xiao-Jun Huang ◽  
Chun-Lin Fan ◽  
Guo-Qiang Li ◽  
Zhen-Long Wu ◽  
...  
Keyword(s):  
Acid Hydrolysis ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxazine Ring

Two new oxindole alkaloid glycosides, nauclealomide A and (3 S,7 R)-javaniside, were isolated from the leaves of Nauclea officinalis. Their structures and absolute configurations were elucidated by means of NMR, HRESIMS, X-ray diffraction, acid hydrolysis and quantum chemical CD calculation. Nauclealomide A is a novel monoterpenoid oxindole alkaloid possessing a rare tetrahydro-2 H–1,3-oxazine ring.

scholarly journals Synthesis of Bis(Carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 (n = 0, 1) and Attempt of Synthesis of Gadolinium Bis(Dicarbollide)

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1321
Author(s):  
Yasunobu Asawa ◽  
Aleksandra V. Arsent’eva ◽  
Sergey A. Anufriev ◽  
Alexei A. Anisimov ◽  
Kyrill Yu. Suponitsky ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
Stable Conformation ◽  
Acyl Chlorides ◽  
X Ray ◽  
Cesium Fluoride ◽  
The Stability

Bis(carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 (n = 0, 1) were prepared by the reactions of the corresponding carboranyl acyl chlorides with ethylenediamine. Crystal molecular structure of 1,1′-μ-(CH2NH(O)C-1,2-C2B10H11)2 was determined by single crystal X-ray diffraction. Treatment of bis(carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 with ammonium or cesium fluoride results in partial deboronation of the ortho-carborane cages to the nido-carborane ones with formation of [7,7′(8′)-μ-(CH2NH(O)C(CH2)n-7,8-C2B9H11)2]2−. The attempted reaction of [7,7′(8′)-μ-(CH2NH(O)CCH2-7,8-C2B9H11)2]2− with GdCl3 in 1,2-dimethoxy- ethane did not give the expected metallacarborane. The stability of different conformations of Gd-containing metallacarboranes has been estimated by quantum-chemical calculations using [3,3-μ-DME-3,3′-Gd(1,2-C2B9H11)2]− as a model. It was found that in the most stable conformation the CH groups of the dicarbollide ligands are in anti,anti-orientation with respect to the DME ligand, while any rotation of the dicarbollide ligand reduces the stability of the system. This makes it possible to rationalize the design of carborane ligands for the synthesis of gadolinium metallacarboranes on their base.

On tungstates of divalent cations (III) – Pb5O2[WO6]

2020 ◽  
Vol 235 (8-9) ◽  
pp. 311-317
Author(s):  
Stephan G. Jantz ◽  
Florian Pielnhofer ◽  
Henning A. Höppe
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Quantum Chemical ◽  
Density Functional ◽  
Divalent Cations ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
First Results ◽  
Electrostatic Calculations

Abstract${\text{Pb}}_{5}{\text{O}}_{2}\left[{\text{WO}}_{6}\right]$ was discovered as a frequently observed side phase during our investigation on lead tungstates. Its crystal structure was solved by single-crystal X-ray diffraction ($P{2}_{1}/n$, $a=7.4379\left(2\right)$ Å, $b=12.1115\left(4\right)$ Å, $c=10.6171\left(3\right)$ Å, $\beta =90.6847\left(8\right)$°, $Z=4$, ${R}_{\text{int}}=0.038$, ${R}_{1}=0.020$, $\omega {R}_{2}=0.029$, 4188 data, 128 param.) and is isotypic with ${\text{Pb}}_{5}{\text{O}}_{2}\left[{\text{Te}}_{6}\right]$. ${\text{Pb}}_{5}{\text{O}}_{2}\left[{\text{WO}}_{6}\right]$ comprises a layered structure built up by non-condensed [WO6]${}^{6-}$ octahedra and ${\left[{\text{O}}_{4}{\text{Pb}}_{10}\right]}^{12+}$ oligomers. The compound was characterised by spectroscopic measurements (Infrared (IR), Raman and Ultraviolet–visible (UV/Vis) spectra) as well as quantum chemical and electrostatic calculations (density functional theory (DFT), MAPLE) yielding a band gap of 2.9 eV fitting well with the optical one of 2.8 eV. An estimation of the refractive index based on the Gladstone-Dale relationship yielded $n\approx 2.31$. Furthermore first results of the thermal analysis are presented.

X-ray diffraction and quantum-chemical study of 3-(1,3-dioxolan-2-yl)-4,6-dinitrobenzo[d]isoxazole

2003 ◽  
Vol 52 (10) ◽  
pp. 2095-2099 ◽  
Author(s):  
A. A. Korlyukov ◽  
A. M. Starosotnikov ◽  
K. A. Lyssenko ◽  
S. A. Shevelev ◽  
M. Yu. Antipin
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Effects of Size and Dispersity of Microcrystalline Celluloses on Size, Structure and Stability of Nanocrystalline Celluloses Extracted by Acid Hydrolysis

Nano LIFE ◽  
2014 ◽  
Vol 04 (04) ◽  
pp. 1441014 ◽  
Author(s):  
Qi Liu ◽  
Weiping Hao ◽  
Yongguang Yang ◽  
Aurore Richel ◽  
Canbin Ouyang ◽  
...  
Keyword(s):  
Particle Size ◽  
Acid Hydrolysis ◽  
Size Structure ◽  
Particle Sizes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Force Microscopy ◽  
Atomic Force ◽  
Transmission Electron ◽  
Sonication Treatment

Nanocrystalline celluloses (NCCs) were separated from four commercial microcrystalline celluloses (MCCs) by an acid hydrolysis–sonication treatment. Transmission electron microscopy (TEM), atomic force microscopy (AFM), Fourier transform infrared (FTIR) spectrum, X-ray diffraction (XRD) and thermogravimetric analysis (TGA) were conducted to investigate the NCCs. MCCs with different morphologies and particle sizes showed different aggregation degrees. The aggregation of MCCs followed the order MCC1 > MCC3 > MCC2 > MCC4, which is the same order of the heights of the resulting NCCs. The best uniformity and thermal stability were characterized for NCC3, which was produced by MCC3 with smallest original particle size and good dispersity among the four MCCs. This result suggests that both the original particle size and dispersity of MCCs had significant effects on separated NCCs.

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