Revisiting the structure of a synthetic somatostatin analogue for peptide drug design

2019 ◽  
Vol 75 (4) ◽  
pp. 611-620 ◽  
Author(s):  
Stavroula Fili ◽  
Alexandros Valmas ◽  
Maria Spiliopoulou ◽  
Paraskevi Kontou ◽  
Andrew Fitch ◽  
...  
Keyword(s):  
Structural Model ◽  
Polycrystalline Material ◽  
Biological Activities ◽  
Endocrine System ◽  
Physicochemical Characteristics ◽  
Structure Characterization ◽  
Somatostatin Analogue ◽  
Complete Structure ◽  
X Ray ◽  
Single Crystal Specimen

Natural or artificially manufactured peptides attract scientific interest worldwide owing to their wide array of pharmaceutical and biological activities. X-ray structural studies are used to provide a precise extraction of information, which can be used to enable a better understanding of the function and physicochemical characteristics of peptides. Although it is vulnerable to disassociation, one of the most vital human peptide hormones, somatostatin, plays a regulatory role in the endocrine system as well as in the release of numerous secondary hormones. This study reports the successful crystallization and complete structural model of octreotide, a stable octapeptide analogue of somatostatin. Common obstacles in crystallographic studies arising from the intrinsic difficulties of obtaining a suitable single-crystal specimen were efficiently overcome as polycrystalline material was employed for synchrotron and laboratory X-ray powder diffraction (XPD) measurements. Data collection and preliminary analysis led to the identification of unit-cell symmetry [orthorhombic, P212121, a = 18.5453 (15), b = 30.1766 (25), c = 39.798 (4) Å], a process which was later followed by complete structure characterization and refinement, underlying the efficacy of the suggested (XPD) approach.

scholarly journals Biodiesel Production on Monometallic Pt, Pd, Ru, and Ag Catalysts Supported on Natural Zeolite

Materials ◽  
2020 ◽  
Vol 14 (1) ◽  
pp. 48
Author(s):  
Pawel Mierczynski ◽  
Magdalena Mosińska ◽  
Lukasz Szkudlarek ◽  
Karolina Chalupka ◽  
Misa Tatsuzawa ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Natural Zeolite ◽  
Noble Metals ◽  
Methyl Esters ◽  
Physicochemical Characteristics ◽  
Biodiesel Production ◽  
X Ray Diffraction ◽  
X Ray ◽  
Yield Values ◽  
Temperature Programmed

Biodiesel production from rapeseed oil and methanol via transesterification reaction facilitated by various monometallic catalyst supported on natural zeolite (NZ) was investigated. The physicochemical characteristics of the synthesized catalysts were studied by X-ray diffraction (XRD), Brunauer–Emmett–Teller method (BET), temperature-programmed-reduction in hydrogen (H2-TPR), temperature-programmed-desorption of ammonia (NH3-TPD), Scanning Electron Microscope equipped with EDX detector (SEM-EDS), and X-ray photoelectron spectroscopy (XPS) methods. The highest activity and methyl ester yields were obtained for the Pt/NZ catalyst. This catalyst showed the highest triglycerides conversion of 98.9% and fatty acids methyl esters yields of 94.6%. The activity results also confirmed the high activity of the carrier material (NZ) itself in the investigated reaction. Support material exhibited 90.5% of TG conversion and the Fatty Acid Methyl Esters yield (FAME) of 67.2%. Introduction of noble metals improves the TG conversion and FAME yield values. Increasing of the metal loading from 0.5 to 2 wt.% improves the reactivity properties of the investigated catalysts.

scholarly journals Influencing Factors on the Physicochemical Characteristics of Tea Polysaccharides

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3457
Author(s):  
Ting Hu ◽  
Peng Wu ◽  
Jianfeng Zhan ◽  
Weixin Wang ◽  
Junfeng Shen ◽  
...  
Keyword(s):  
Influencing Factors ◽  
Biological Activities ◽  
Structural Difference ◽  
Physicochemical Characteristics ◽  
Bioactive Constituents ◽  
Preparation Methods ◽  
Processing Technologies ◽  
Chemical Structures ◽  
Tea Polysaccharides ◽  
Fine Structures

Tea polysaccharides (TPSs) are one of the main bioactive constituents of tea with various biological activities such as hypoglycemic effect, antioxidant, antitumor, and immunomodulatory. The bioactivities of TPSs are directly associated with their structures such as chemical composition, molecular weight, glycosidic linkages, and conformation among others. To study the relationship between the structures of TPSs and their bioactivities, it is essential to elucidate the structure of TPSs, particularly the fine structures. Due to the vast variation nature of monosaccharide units and their connections, the structure of TPSs is extremely complex, which is also affected by several major factors including tea species, processing technologies of tea and isolation methods of TPSs. As a result of the complexity, there are few studies on their fine structures and chain conformation. In the present review, we aim to provide a detailed summary of the multiple factors influencing the characteristics of TPS chemical structures such as variations of tea species, degree of fermentation, and preparation methods among others as well as their applications. The main aspects of understanding the structural difference of TPSs and influencing factors are to assist the study of the structure and bioactivity relationship and ultimately, to control the production of the targeted TPSs with the most desired biological activity.

scholarly journals Assessment of Titanate Nanolayers in Terms of Their Physicochemical and Biological Properties

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 806
Author(s):  
Michalina Ehlert ◽  
Aleksandra Radtke ◽  
Katarzyna Roszek ◽  
Tomasz Jędrzejewski ◽  
Piotr Piszczek
Keyword(s):  
Surface Modification ◽  
Substrate Surface ◽  
Biological Properties ◽  
Structure Characterization ◽  
Porous Coating ◽  
Apatite Formation ◽  
Sem Images ◽  
Energy Dispersion Spectroscopy ◽  
X Ray

The surface modification of titanium substrates and its alloys in order to improve their osseointegration properties is one of widely studied issues related to the design and production of modern orthopedic and dental implants. In this paper, we discuss the results concerning Ti6Al4V substrate surface modification by (a) alkaline treatment with a 7 M NaOH solution, and (b) production of a porous coating (anodic oxidation with the use of potential U = 5 V) and then treating its surface in the abovementioned alkaline solution. We compared the apatite-forming ability of unmodified and surface-modified titanium alloy in simulated body fluid (SBF) for 1–4 weeks. Analysis of the X-ray diffraction patterns of synthesized coatings allowed their structure characterization before and after immersing in SBF. The obtained nanolayers were studied using Raman spectroscopy, diffuse reflectance infrared Fourier transform spectroscopy (DRIFT), and scanning electron microscopy (SEM) images. Elemental analysis was carried out using X-ray energy dispersion spectroscopy (SEM EDX). Wettability and biointegration activity (on the basis of the degree of integration of MG-63 osteoblast-like cells, L929 fibroblasts, and adipose-derived mesenchymal stem cells cultured in vitro on the sample surface) were also evaluated. The obtained results proved that the surfaces of Ti6Al4V and Ti6Al4V covered by TiO2 nanoporous coatings, which were modified by titanate layers, promote apatite formation in the environment of body fluids and possess optimal biointegration properties for fibroblasts and osteoblasts.

Di-n-butyltin(IV) derivatives of bis(carboxymethyl)benzylamines: synthesis, NMR and X-ray structure characterization andin vitro antitumour properties

2001 ◽  
Vol 15 (7) ◽  
pp. 593-603 ◽  
Author(s):  
Teresa Mancilla ◽  
Lourdes Carrillo ◽  
Luis S. Zamudio Rivera ◽  
Carlos Camacho Camacho ◽  
Dick de Vos ◽  
...  
Keyword(s):  
Structure Characterization ◽  
X Ray ◽  
Derivatives Of

scholarly journals Chemical Species, Micromorphology, and XRD Fingerprint Analysis of Tibetan MedicineZuotaiContaining Mercury

2016 ◽  
Vol 2016 ◽  
pp. 1-11 ◽  
Author(s):  
Cen Li ◽  
Hongxia Yang ◽  
Yuzhi Du ◽  
Yuancan Xiao ◽  
Zhandui ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
Chemical Species ◽  
Physicochemical Characteristics ◽  
Chemical Substance ◽  
Tibetan Medicine ◽  
Fingerprint Analysis ◽  
Multivariate Statistical ◽  
Positive Role ◽  
X Ray

Zuotai(gTso thal) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were used to assay the elements, micromorphology, and phase composition of nineZuotaisamples from different regions, respectively; the XRD fingerprint features ofZuotaiwere analyzed by multivariate statistical analysis. EDX result shows thatZuotaicontains Hg, S, O, Fe, Al, Cu, and other elements. SEM and AFM observations suggest thatZuotaiis a kind of ancient nanodrug. Its particles are mainly in the range of 100–800 nm, which commonly further aggregate into 1–30 μm loosely amorphous particles. XRD test shows thatβ-HgS, S8, andα-HgS are its main phase compositions. XRD fingerprint analysis indicates that the similarity degrees of nine samples are very high, and the results of multivariate statistical analysis are broadly consistent with sample sources. The present research has revealed the physicochemical characteristics ofZuotai, and it would play a positive role in interpreting this mysterious Tibetan drug.

scholarly journals Novel solid forms of the analgesic drug ethenzamide

2014 ◽  
Vol 70 (a1) ◽  
pp. C995-C995
Author(s):  
Duane Choquesillo-Lazarte ◽  
Cristóbal Verdugo-Escamilla ◽  
Juan Manuel García-Ruiz
Keyword(s):  
Polycrystalline Material ◽  
X Ray Diffraction ◽  
Analgesic Drug ◽  
X Ray ◽  
Solution Methods ◽  
Additional Stability ◽  
Ft Ir ◽  
Model Drug ◽  
Solid Form ◽  
Ir And Raman

The interest in multicomponent solid forms has increased in the last years within the pharmaceutical industry and also the solid-state community due to the possibility of obtaining materials with new properties [1]. Crystallization strategies, supported by solvent- and solid-based techniques, have also received attention in the search and development of methodologies for the screening of multicomponent crystals. In this work, ethenzamide, an anti-inflammatory and analgesic drug, was selected as a model drug to develop cocrystals on the basis of the synthon types using a series of phenolic coformers. Ethenzamide cocrystals and cocrystal solvates have been reported recently [2,3]. Liquid Assisted Grinding (LAG) and solution methods were used as synthetic tools. Attempts to produce cocrystals by LAG and Reaction Crystallization led to the formation of polycrystalline material. The solids obtained were then characterized by powder X-ray diffraction (PXRD), FT-IR and Raman spectroscopy. Recrystallization by slow solvent evaporation was carried out when the above-referred techniques strongly suggest the formation of a new solid form. The structure of five new multicomponent solids has been determined by single crystal X-ray diffraction. Additional stability studies have been performed at controlled relative humidity conditions and followed by PXRD.

Reconstructed Structure of SiO2/Si(111) Interface

1990 ◽  
Vol 208 ◽  
Author(s):  
Ichiro Hirosawa ◽  
Jun'ichiro Nizuki ◽  
Toru Tatsumi ◽  
Koichi Akimoto ◽  
Junji Matsui
Keyword(s):  
Molecular Beam ◽  
Structural Model ◽  
Oxidation Process ◽  
Grazing Incidence ◽  
Interface Structure ◽  
X Ray Diffraction ◽  
Initial Oxidation ◽  
X Ray ◽  
Diffraction Geometry ◽  
Symmetry Structure

ABSTRACTIn order to investigate the initial oxidation process Qf the Si (111) surface, we have studied the molecular beam deposited Si0 2/Si(111)-7×7 interface structure using grazing incidence X-ray diffraction geometry. We suggest a three-fold symmetry structural model composed of stacking fault layer, dimer layer and additional ordered atoms. The three-fold symmetry structure comes from the preference for oxidation in the faulted half of the 7×7 structure.

Crystal structure characterization and electronic structure of a rare-earth-containing Zintl phase in the Yb–Al–Sb family: Yb3AlSb3

2021 ◽  
Vol 77 (6) ◽  
Author(s):  
Rongqing Shang ◽  
An T. Nguyen ◽  
Allan He ◽  
Susan M. Kauzlarich
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Rare Earth ◽  
Electronic Structure Calculations ◽  
Structure Characterization ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Zintl Phase ◽  
X Ray ◽  
Structure Calculations

A rare-earth-containing compound, ytterbium aluminium antimonide, Yb3AlSb3 (Ca3AlAs3-type structure), has been successfully synthesized within the Yb–Al–Sb system through flux methods. According to the Zintl formalism, this structure is nominally made up of (Yb2+)3[(Al1−)(1b – Sb2−)2(2b – Sb1−)], where 1b and 2b indicate 1-bonded and 2-bonded, respectively, and Al is treated as part of the covalent anionic network. The crystal structure features infinite corner-sharing AlSb4 tetrahedra, [AlSb2Sb2/2]6−, with Yb2+ cations residing between the tetrahedra to provide charge balance. Herein, the synthetic conditions, the crystal structure determined from single-crystal X-ray diffraction data, and electronic structure calculations are reported.

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