Comprehensive investigation of structural properties (X-ray diffraction, IR, Hirshfeld, MEP and FMOs) and in silico screening of potential biological activity of Euphorbia factor L1

2021 ◽  
pp. 131237
Author(s):  
Guodong Zhang ◽  
Yu Chen ◽  
Fei Liu ◽  
Jianan Huang ◽  
Pirui Li ◽  
...  
Keyword(s):  
Biological Activity ◽  
Structural Properties ◽  
In Silico ◽  
X Ray Diffraction ◽  
In Silico Screening ◽  
Comprehensive Investigation ◽  
X Ray ◽  
Potential Biological Activity

scholarly journals Biosynthesis of D-Mannitol by Diplodia pinea

2021 ◽  
Vol 10 (7) ◽  
pp. e28110716424
Author(s):  
Paula Francislaine Moura ◽  
Caroline Gribner ◽  
Katlin Suellen Rech ◽  
Larissa Junqueira Gatto ◽  
Ana Angélica Ruscheweyh Rigoni ◽  
...  
Keyword(s):  
Biological Activity ◽  
Liquid Medium ◽  
Phytopathogenic Fungus ◽  
Forest Species ◽  
X Ray Diffraction ◽  
Biotechnological Potential ◽  
X Ray ◽  
Diplodia Pinea ◽  
Potential Biological Activity

Research with fungi in search of substances with potential biological activity is gaining more prominence since they are sustainable sources of new molecules. Diplodia pinea is a phytopathogenic fungus found in forest species, which has shown few reports of molecules with biological activity and may present promising biotechnological potential. Thus, the objective of this study was to detect substances produced by this fungus in a liquid medium, under stressful conditions. A metabolite was detected in the alcoholic fraction characterized by X-ray diffraction as D-mannitol. This is the first description of this monosaccharide produced by D. pinea.

Selective oxidation of cyclopentene to glutaraldehyde by H2O2 over Nb-SBA-15

2021 ◽  
Author(s):  
yingmeng qi ◽  
Qi Han ◽  
li wu ◽  
Jun Li
Keyword(s):  
Structural Properties ◽  
Selective Oxidation ◽  
Mesoporous Materials ◽  
Hydrothermal Process ◽  
X Ray Diffraction ◽  
X Ray

A series of niobium-containing mesoporous materials Nb-SBA-15 have been prepared by sonication–impregnation and hydrothermal process. The dispersion and structural properties of niobium-containing species were systematically characterized by X-ray diffraction, scanning...

scholarly journals New Haloterpenes from the Marine Red Alga Laurencia papillosa: Structure Elucidation and Biological Activity

Marine Drugs ◽  
2021 ◽  
Vol 19 (1) ◽  
pp. 35
Author(s):  
Mohamed Shaaban ◽  
Ghada S. E. Abou-El-Wafa ◽  
Christopher Golz ◽  
Hartmut Laatsch
Keyword(s):  
Biological Activity ◽  
Crude Extract ◽  
Structure Elucidation ◽  
Antimicrobial Activities ◽  
Red Alga ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Chemical Structures ◽  
Terpene Derivatives

Analysis of the air-dried marine red alga Laurencia papillosa, collected near Ras-Bakr at the Suez gulf (Red Sea) in Egypt delivered five new halogenated terpene derivatives: aplysiolic acid (1), 7-acetyl-aplysiol (2), aplysiol-7-one (3), 11,14-dihydroaplysia-5,11,14,15-tetrol (5a), and a new maneonene derivative 6, named 5-epi-maneolactone. The chemical structures of these metabolites were characterized employing spectroscopic methods, and the relative and absolute configurations were determined by comparison of experimental and ab initio-calculated NMR, NOE, ECD, and ORD data, and by X-ray diffraction of 2 and 6. The antimicrobial activities of the crude extract and compounds 1–3, 5a and 6 were studied.

Structural properties of the guest species in diacyl peroxide/urea inclusion compounds: an X-ray diffraction investigation

1990 ◽  
Vol 431 (1882) ◽  
pp. 245-269 ◽  
Keyword(s):  
Single Crystal ◽  
Structural Properties ◽  
Inclusion Compounds ◽  
X Ray Diffraction ◽  
Channel Axis ◽  
Guest Molecules ◽  
X Ray ◽  
Urea Inclusion Compounds ◽  
Diacyl Peroxide ◽  
Urea Inclusion

In this paper we report single crystal X-ray diffraction studies of urea inclusion compounds containing diacyl peroxides (dioctanoyl peroxide (OP), diundecanoyl peroxide (UP), lauroyl peroxide (LP)) as the guest component. In these inclusion compounds, the host (urea) molecules crystallize in a hexagonal structure that contains linear, parallel, non-intersecting channels (tunnels). The guest (diacyl peroxide) molecules are closely packed inside these channels with a periodic repeat distance that is incommensurate with the period of the host structure along the channel axis. Furthermore, there is pronounced inhomogeneity within the guest structure: within each single crystal, there are regions in which the guest molecules are three-dimensionally ordered, and other regions in which they are only one-dimensionally ordered (along the channel axis). Although it has not proven possible to ‘determine’ the guest structures in the conventional sense, substantial information concerning their average periodicities and their orientational relationships with respect to the host has been deduced from single crystal X-ray diffraction photographs recorded at room temperature. For OP/urea, UP/urea and LP/urea, the guest structure in the three-dimensionally ordered regions is monoclinic, and six types of domain of this monoclinic structure can be identified within each single crystal. The relative packing of diacyl peroxide molecules is the same in each domain, and the different domains are related by 60° rotation about the channel axis. For each of these inclusion compounds, the offset between the ‘heights’ of the guest molecules in adjacent channels is the same ( ca . 4.6 Å (4.6 x 10 -10 m)) within experimental error, suggesting that the relative interchannel packing of the guest molecules is controlled by a property of the diacyl peroxide group. In addition to revealing these novel structural properties, the work discussed in this paper has more general relevance concerning the measurement and interpretation of single crystal X-ray diffraction patterns that are based on more than one three-dimensionally periodic reciprocal lattice. Seven separate reciprocal lattices are required to rationalize the complete X-ray diffraction pattern from each diacyl peroxide/urea crystal studied here.

Mechanical and Structural Properties of Superhard TiAlSiN Coatings Deposited by Arc Ion Plating of Cylindrical Cathode

2014 ◽  
Vol 783-786 ◽  
pp. 1426-1431
Author(s):  
Wang Ryeol Kim ◽  
Min Chul Kwon ◽  
Jung Hoon Lee ◽  
Uoo Chang Jung ◽  
Won Sub Chung
Keyword(s):  
Structural Properties ◽  
Nitrogen Pressure ◽  
Structural Features ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ion Plating ◽  
Arc Current ◽  
Cathode Arc ◽  
Cathodic Arc ◽  
Tialsin Coating

TiAlSiN coatings were deposited on WC-Co metal by using a cathodic arc ion deposition method of cylindrical cathode. We used Ti / Al (50 / 50 at.%) arc target and silicon sputter target. The influence of the nitrogen pressure, TiAl cathode arc current, bias voltage, and deposition temperature on the mechanical and the structural properties of the films were investigated. The structural features of the films were investigation in detail using X-ray diffraction. And coatings were characterized by means of FE-SEM, nanoindentation, Scratch tester, Tribology tester, XRD and XPS. The hardness of the film reached 43 GPa at the cathode arc current of 230 A and decreased with a further increase of the arc current. And the adhesion of the film reached 34 N. The results showed that the TiAlSiN coating exhibited an excellent mechanical properties which application for tools and molds.

Crystallization of Zn-rich and P-rich amorphous Zn3P2 thin films

1988 ◽  
Vol 66 (5) ◽  
pp. 373-375 ◽  
Author(s):  
C. J. Arsenault ◽  
D. E. Brodie
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Activation Energy ◽  
Electrical Properties ◽  
Structural Properties ◽  
Crystallization Process ◽  
X Ray Diffraction ◽  
Electrical Measurements ◽  
Conductivity Activation Energy ◽  
X Ray

Zn-rich and P-rich amorphous Zn3P2 thin films were prepared by co-evaporation of the excess element during the normal Zn3P2 deposition. X-ray diffraction techniques were used to investigate the structural properties and the crystallization process. Agglomeration of the excess element within the as-made amorphous Zn3P2 thin film accounted for the structural properties observed after annealing the sample. Electrical measurements showed that excess Zn reduces the conductivity activation energy and increases the conductivity, while excess P up to 15 at.% does not alter the electrical properties significantly.

Synchrotron x‐ray diffraction studies of the structural properties of electrode materials in operating battery cells

1996 ◽  
Vol 69 (2) ◽  
pp. 194-196 ◽  
Author(s):  
T. R. Thurston ◽  
N. M. Jisrawi ◽  
S. Mukerjee ◽  
X. Q. Yang ◽  
J. McBreen ◽  
...  
Keyword(s):  
Structural Properties ◽  
Electrode Materials ◽  
X Ray Diffraction ◽  
X Ray ◽  
Battery Cells

Magnetic Anisotropy in Electrodeposited CO Films and spin-valves on Gaas Substrates

1999 ◽  
Vol 562 ◽  
Author(s):  
K. Attenborough ◽  
M. Cerisier ◽  
H. Boeve ◽  
J. De Boeck ◽  
G. Borghs ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Buffer Layer ◽  
Structural Properties ◽  
Easy Axis ◽  
Spin Valve ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cu Films ◽  
Gaas Substrates ◽  
Unique Spin

ABSTRACTWe have studied the magnetic and structural properties of thin electrodeposited Co and Cu layers grown directly onto (100) n-GaAs and have investigated the influence of a buffer layer. A dominant fourfold anisotropy with a uniaxial contribution is observed in 10 nm Co electrodeposited films on GaAs. An easy axis is observed in the [001] GaAs direction with two hard axes of differing coercivities parallel to the [011] and [011] directions. For thicker films the easy axes in the [001] direction becomes less pronounced and the fourfold anisotropy becomes less dominant. Co films of similar thicknesses deposited onto an electrodeposited Cu buffer layer were nearly isotropic. From X-ray diffraction 21 nm Co layers on GaAs were found to be hcp with the c-axis tending to be in the plane of the film. The anisotropy is ascribed to the Co/GaAs interface and is held responsible for the unique spin-valve properties seen recently in electrodeposited Co/Cu films.

Synthesis of Galactomannan Sulfate-Citrate

2022 ◽  
Vol 1049 ◽  
pp. 218-223
Author(s):  
Aleksandr S. Kazachenko ◽  
Yuriy N. Malyar ◽  
Anna S. Kazachenko
Keyword(s):  
Biological Activity ◽  
Ftir Spectroscopy ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Mixed Ester ◽  
First Time ◽  
Derivatives Of

Sulfated derivatives of polysaccharides have anticoagulant, hypolipedimic and other biological activity. In this work, a complex mixed ester of galactomannan, its sulfate-citrate, was obtained for the first time. The introduction of citrate and sulfate groups was proved by FTIR spectroscopy by the appearance of corresponding absorption bands. It was shown by X-ray diffraction that the introduction of the citrate group leads to the amorphization of the galactomannan structure.

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