scholarly journals Physico-chemical analysis, systematic benchmarking, and toxicological aspects of the JWH aminoalkylindole class-derived synthetic JWH cannabinoids

2021 ◽  
Vol 44 (1) ◽  
pp. 34-45
Author(s):  
Catalina Mercedes Burlacu ◽  
Adrian Constantin Burlacu ◽  
Mirela Praisler
Keyword(s):  
Synthetic Cannabinoids ◽  
Chemical Properties ◽  
Pharmacokinetic Profile ◽  
Spectral Techniques ◽  
Software Packages ◽  
Physico Chemical ◽  
Semi Empirical ◽  
Analytical Tools ◽  
Physical And Chemical ◽  
Toxicity Indices

We are presenting the results obtained by computing different toxicity indices for some of the newest JWH synthetic cannabinoids, by using (Q)SAR models, ADME(T) predictions, simulations of NMR spectral techniques and other different computational dedicated software packages and forensic analytical tools. We have examined the main physical and chemical properties and evaluated the behavioral neurotoxicity and pharmacokinetic profile of 16 aminoalkylindole class-derived synthetic cannabinoids JWH as compared to the Delta-9-tetrahydrocannabinol (Δ9-THC), which was chosen as a standard compound. For this purpose, the geometries of the molecules have been optimized by using the AM1 semi-empirical quantum method. The conclusions of a comparative analysis of the toxicities of synthetic and natural cannabinoids are presented.

scholarly journals Theoretical Prediction of Possible Drug Treatment of COVID-19 using Coumarins Containing Chloroquine Moeity

2020 ◽  
Vol 32 (12) ◽  
pp. 3120-3126
Author(s):  
A.A. Ibrahim ◽  
O.M. Yahya ◽  
M.A. Ibrahim
Keyword(s):  
Theoretical Calculations ◽  
Chemical Properties ◽  
Basis Sets ◽  
Am1 Method ◽  
Hartree Fock ◽  
Physico Chemical ◽  
Coumarin Compound ◽  
Semi Empirical ◽  
Physical And Chemical ◽  
And Chemical Properties

Chloroquine was theoretically reacted with the coumarin compound. Two compounds viz. [N-(7-chloroquinolin-4-yl)-N-(5-(diethylamino)-pentan-2-yl)-4-methyl-2-oxo-2H-chromene-7- sulfonamide] (3) and [N-(7-chloroquinolin-4-yl)-N-(5-(diethylamino)pentan-2-yl)-4-methyl-2-oxo- 2H-chromene-6-sulfonamide] (4) were suggested. The results showed that compound 4 may influence the COVID-19 treatment. The physico-chemical parameters were determined through theoretical calculations by using Hartree-Fock at different basis sets (6-31G), (STO/3G) and the semi-empirical (AM1) method. The calculations demonstrated the scheme of reaction between coumarin and the chloroquine structure by using the predicted mechanisms. The physical and chemical properties of the predicted compounds were determined to select the optimal form as the candidate for COVID-19 treatment. Compound 4 was more stable than compound 3, with different proteins viz. 6YHU, 6YI3 and 6LU7. Three types of software, including Gaussian 03, Chem-Bio office and molecular operating environment (MOE) were employed.

Ionic Liquids in Analytical Chemistry: Applications and Recent Trends

2021 ◽  
Vol 17 ◽  
Author(s):  
Giuseppe Maria Merone ◽  
Angela Tartaglia ◽  
Enrica Rosato ◽  
Cristian D’Ovidio ◽  
Abuzar Kabir ◽  
...  
Keyword(s):  
Analytical Chemistry ◽  
Ionic Liquids ◽  
Stationary Phases ◽  
Extraction Procedure ◽  
Chemical Properties ◽  
Electrochemical Analysis ◽  
Physico Chemical ◽  
Recent Trends ◽  
Number Of Publications ◽  
Physical And Chemical

Background: Ionic liquids (ILs) are a unique class of compounds consisting exclusively of cations and anions that possess distinctive properties such as low volatility, high thermal stability, miscibility with water and organic solvents, electrolytic conductivity and non-flammability. Ionic liquids have been defined as "design solvents", because it is possible to modify their physical and chemical properties by appropriately choosing cations and anions, in order to meet the specific characteristics based on their potential application. Introduction: Due of their tunable nature and properties, ILs are considered as the perfect candidates for numerous applications in analytical chemistry including sample preparation, stationary phases in liquid or gas chromatography, additives in capillary electrophoresis, or in mass spectrometry for spectral and electrochemical analysis. In the last years, the number of publications regarding ILs has rapidly increased, highlighting the broad applications of these compounds in various fields of analytical chemistry. Results: This review first described the main physico-chemical characteristics of ionic liquids, and subsequently reported the various applications in different subdisciplines of analytical chemistry, including the extraction procedure and separation techniques. Furthermore, in each paragraph the most recent applications of ionic liquids in the food, environmental, biological, etc. fields have been described. Conclusion: Overall, the topic discussed highlights the key role of ionic liquids in analytical chemistry, giving hints for their future applications in chemistry but also in biology and medicine.

scholarly journals Effect of Slice Weight and Soaking Time on the Physico-Chemical Properties of Cassava Flour (Manihotesculentus) used for Bakery Products

2021 ◽  
pp. 10-24
Author(s):  
C. R. Abah ◽  
C. N. Ishiwu ◽  
J. E. Obiegbuna ◽  
E. F. Okpalanma ◽  
C. S. Anarado
Keyword(s):  
Chemical Properties ◽  
Process Variables ◽  
Soaking Time ◽  
Cassava Flour ◽  
Baked Goods ◽  
Cassava Root ◽  
Physico Chemical ◽  
Physical And Chemical ◽  
And Chemical Properties

Quality cassava(Manihotesculentus, Crantz) flour is often influenced by process variables such as slice weight and soaking time which may affect its nutritional quality. In this study, the effect of process variables (slice weight and soaking time) on quality of cassava flour was carried out. Cassava root was peeled, washed and cut into varied sizes (25.86 - 54.14 g) and soaked at varied time (7.03 - 40.97 h). The proximate composition, physical and chemical properties of the flour were carried out using standard methods. The result in our findings showed that slice weight and soaking time had significant increase (p<0.05) on the proximate and physico-chemical properties of the flour.The amylose and amylopectin content of the flour increased with increasing soaking time while the hydrogen cyanide content decreased with increase in soaking time. Overall, the quality cassava flour displayed desirable properties for its incorporation into baked goods.

scholarly journals Free-standing spider silk webs of the thomisid Saccodomus formivorus are made of composites comprising micro- and submicron fibers

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Christian Haynl ◽  
Jitraporn Vongsvivut ◽  
Kai R. H. Mayer ◽  
Hendrik Bargel ◽  
Vanessa J. Neubauer ◽  
...  
Keyword(s):  
Spider Silk ◽  
Structural Integrity ◽  
Chemical Properties ◽  
Free Standing ◽  
Physico Chemical ◽  
Physical And Chemical ◽  
Crab Spiders ◽  
Ambush Predators ◽  
The Web ◽  
And Chemical Properties

Abstract Our understanding of the extraordinary mechanical and physico-chemical properties of spider silk is largely confined to the fibers produced by orb-weaving spiders, despite the diversity of foraging webs that occur across numerous spider families. Crab spiders (Thomisidae) are described as ambush predators that do not build webs, but nevertheless use silk for draglines, egg cases and assembling leaf-nests. A little-known exception is the Australian thomisid Saccodomus formivorus, which constructs a basket-like silk web of extraordinary dimensional stability and structural integrity that facilitates the capture of its ant prey. We examined the physical and chemical properties of this unusual web and revealed that the web threads comprise microfibers that are embedded within a biopolymeric matrix containing additionally longitudinally-oriented submicron fibers. We showed that the micro- and submicron fibers differ in their chemical composition and that the web threads show a remarkable lateral resilience compared with that of the major ampullate silk of a well-investigated orb weaver. Our novel analyses of these unusual web and silk characteristics highlight how investigations of non-model species can broaden our understanding of silks and the evolution of foraging webs.

PHYSICO-CHEMICAL PROPERTIES OF A NEW CLAY-BASED SORBENT

2019 ◽  
Vol 9 (1) ◽  
pp. 52-56
Author(s):  
Sergey V. STEPANOV ◽  
Olga N. PANFILOVA ◽  
Kristina K. ADDUGAFFAROVA
Keyword(s):  
Ion Exchange ◽  
Chemical Properties ◽  
Thermal Method ◽  
Chemical Parameters ◽  
Aluminum Oxides ◽  
Ir Spectrometry ◽  
Physico Chemical ◽  
Preliminary Preparation ◽  
Physical And Chemical ◽  
Finished Sample

The main physical and chemical parameters of a new sorbent developed on the basis of the minerals of the Samara region: clays, peat and dolomite are considered. The particle size of the clay after grinding at the stage of preliminary preparation was less than 1 nm, which relates them to highly dispersed materials. A chemical analysis of the composition of the components showed a high content of silicon and aluminum oxides, which possess ion exchange properties, and also made it possible to assign clays to montmorillonite rocks. The modification of the sorbent was carried out by thermal method. The density of the finished sample was 1.8 g / cm3. The method of scanning electron microscopy showed that the structure of the finished sample belongs to spongy bodies. The method of IR spectrometry confirmed the presence of functional groups in the crystal lattice of the sorbent, which cause not only the physical, but also the ion exchange and chemical nature of sorption.

Physico-Chemical Properties of Silica Coated Superparamagnetic Magnetite Nanoparticles Synthesized by Non-Seeded Process

2015 ◽  
Vol 1107 ◽  
pp. 267-271
Author(s):  
Sodipo Bashiru Kayode ◽  
Azlan Abdul Aziz
Keyword(s):  
Silica Nanoparticles ◽  
Magnetite Nanoparticles ◽  
Colloidal Suspension ◽  
Sol Gel ◽  
Chemical Properties ◽  
Colloidal Suspensions ◽  
Core Shell ◽  
Shell Nanoparticles ◽  
Physico Chemical ◽  
Physical And Chemical

The science of core-shell nanoparticles requires investigation into several physical and chemical properties of the composite nanoparticles. Unlike the conventional sol-gel or the reverse microemulsion micelle method, we presented here a non-seeded process of encapsulating superparamagnetic magnetite nanoparticles (SPMN) with silica. Physico-chemical analysis of the product was used to confirm the result of the coating procedure. Colloidal suspension of SPMN and silica nanoparticles were synthesised through coprecipitation method and modified Stöber method respectively. Afterwards, both colloidal suspensions of SPMN and silica nanoparticles were sonicated to encapsulate the SPMN with silica. Elemental mapping of the composite particles with electron spectroscopy imaging (ESI) confirmed the core-shell micrograph of the SPMN and silica. The X-ray diffraction pattern (XRD) showed the silica shell to be in amorphous form. FTIR analysis further confirmed the chemical properties of the product to be silica coated SPMN.

Preparation of Sulfated Zirconia Using Modified Sol Gel Method

2014 ◽  
Vol 896 ◽  
pp. 153-158
Author(s):  
Anis Kristiani ◽  
Kiky C. Sembiring ◽  
Fauzan Aulia ◽  
Joddy Arya Laksmono ◽  
Silvester Tursiloadi ◽  
...  
Keyword(s):  
Sulfated Zirconia ◽  
Sol Gel ◽  
Chemical Properties ◽  
Gel Method ◽  
Sol Gel Method ◽  
Organic Bases ◽  
Physico Chemical ◽  
Medium Porosity ◽  
Cetyltrimethyl Ammonium ◽  
Physical And Chemical

A series of sulfated zirconia was prepared through sol gel method in alcohol medium. Porosity of the catalyst was developed in two different methods, which were immersion of cetyltrimethyl ammonium chloride (CTAC) surfactant as templating agent and Supercritical Fluid Extraction (SFE). The physico-chemical properties of the catalysts were characterized by Thermal Gravimetric-Differential Thermal Analysis (TG-DTA), X-ray Diffraction (XRD), Brunauer-Emmett-Teller (BET) and Barret-Joyner-Halenda (BJH) and gravimetry method for acidity measurement following by the adsorption of organic bases. The characterization results show that different method of immersing CTAC surfactant and SFE affecting physical and chemical properties, i.e. crystalinity, surface area, pore size, pore volume and acidity.

scholarly journals Characterization of Bee Pollen: Physico-Chemical Properties, Headspace Composition and FTIR Spectral Profiles

Foods ◽  
2021 ◽  
Vol 10 (9) ◽  
pp. 2103
Author(s):  
Saša Prđun ◽  
Lidija Svečnjak ◽  
Mato Valentić ◽  
Zvonimir Marijanović ◽  
Igor Jerković
Keyword(s):  
Measurement Data ◽  
Chemical Properties ◽  
Chemical Characterization ◽  
Quality Estimation ◽  
Bee Pollen ◽  
Physico Chemical ◽  
Spectral Profiles ◽  
Almost All ◽  
Analytical Tools

Chemical characterization of bee pollen is of great importance for its quality estimation. Multifloral and unifloral bee pollen samples collected from continental, mountain and Adriatic regions of Croatia were analyzed by means of physico-chemical, chromatographic (GC-MS), and spectroscopic (FTIR-ATR) analytical tools, aiming to conduct a comprehensive characterization of bee pollen. The most distinctive unifloral bee pollen with regard to nutritional value was Aesculus hippocastanum (27.26% of proteins), Quercus spp. (52.58% of total sugars), Taraxacumofficinale (19.04% of total lipids), and Prunusavium (3.81% of ash). No statistically significant differences between multifloral and unifloral bee pollen from different regions were found for most of the physico-chemical measurement data, with an exception of melezitose (p = 0.04). Remarkable differences were found among the bee pollen HS VOCs. The major ones were lower aliphatic compounds, monoterpenes (mainly linalool derivatives, especially in Prunusmahaleb and P.avium bee pollen), and benzene derivatives (mainly benzaldehyde in T.officinale and Salix spp.). Aldehydes C9 to C17 were present in almost all samples. FTIR-ATR analysis revealed unique spectral profiles of analyzed bee pollen exhibiting its overall chemical composition arising from molecular vibrations related to major macromolecules—proteins, lipids, and carbohydrates (sugars).

scholarly journals Physical and Chemical Properties and Methods of Control of Pantoprazol Sodium Sesquihydrate (Review)

2020 ◽  
Vol 9 (1) ◽  
pp. 46-53
Author(s):  
V. A. Shelekhova ◽  
K. R. Savelyeva ◽  
S. V. Polyakov ◽  
V. N. Shestakov
Keyword(s):  
Chemical Properties ◽  
Reaction Products ◽  
Chemical Methods ◽  
Spectrophotometric Methods ◽  
Physico Chemical ◽  
Inflammatory Drugs ◽  
Physical And Chemical ◽  
Direct Spectrophotometry ◽  
Methods Of Control ◽  
And Chemical Properties

Introduction. Pantoprazole sodium sesquihydrate is a proton pump inhibitor. This substance is used in the treatment of peptic ulcer of the duodenum or stomach in the acute phase, including those associated with the use of non-steroidal anti-inflammatory drugs.Text. Pantoprazole is sodium 5-(difluoromethoxy)-2-[(RS)-[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]benzimidazol-1-ide sesquihydrate in its structure. The substance is readily soluble in water and ethyl alcohol. The identification of pantoprazole is confirmed by infrared absorption spectrophotometry, as well as by a positive reaction to sodium ion. For the assay of this substance chemical and physico-chemical methods are used. The first group of methods includes titration in a non-aqueous medium with perchloric acid and permanganatometry. Physico-chemical methods used for pantoprazole assay are spectrophotometry and HPLC. The most commonly used method is direct spectrophotometry associated with the measurement of optical density at a wavelength of the maximum absorption of pantoprazole in various solvents. In addition, spectrophotometric methods of assay are known, based on the study of the absorption of colored pantoprazode reaction products. The derivative spectrophotometry is used for the analysis of its preparations. The control of the content of impurities and pantoprazole in the substance and its dosage forms is carried out, as a rule, using HPLC.Conclusion. An analysis of the literature has shown that this substance is unstable. Therefore, this feature of pantoprazole must be considered when choosing excipients when developing a dosage form. The preferred method for analyzing pantoprazole preparations is HPLC, since it is possible to determine the substance in the presence of other compounds, which will allow one to control the quantitative content and stability of pantoprazole in the preparation.

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