scholarly journals Toward an Understanding of the Formation and Desolvation of Methanol Solvate, and Structure of Methanolysis Product: A Case Study of Nicosulfuron

Crystals ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 157
Author(s):  
Huaxiang Zhu ◽  
Bei Zhang ◽  
Di Wu ◽  
Xiaowei Cheng ◽  
Guiping Li ◽  
...  
Keyword(s):  
Solid Phase ◽  
Great Influence ◽  
Acid Methyl Ester ◽  
Analytical Techniques ◽  
Systematic Investigation ◽  
Herbicidal Activity ◽  
Carbamic Acid ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray

Nicosulfuron (NS) is a widely used sulfonylurea herbicide because of its high selectivity, broad spectrum of herbicide activity, and excellent performance. In this work, nicosulfuron methanol solvate (NS-MeOH) and [[3-[(Dimethylamino)carbonyl]-2-pyridinyl]sulfonyl]carbamic acid methyl ester (PCM) as a product of methanolysis of NS were obtained. Both of their structures were determined by a single crystal X-ray diffraction. A broad range of analytical techniques was applied to characterize the NS-MeOH, such as Powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and hot stage microscopy (HSM). Combined with the analysis of the Independent gradient model (IGM), Atom-in-molecules (AIM), and Hirshfeld surface (HS), direct insights into the role of solvent played in the formation of NS-MeOH and the mechanism of solid-to-solid phase transformation of NS-MeOH could be obtained. In addition, the aqueous solubility of NS was improved through the formation of NS-MeOH. A systematic investigation of herbicidal activity of NS and PCM was carried out. It was found that NS and NS-MeOH had similar herbicidal activities at the experimental concentrations while PCM exhibited significantly lower activity. It was suggested that methanolysis of the sulfonylurea bridge in the NS molecule exerted a great influence on the herbicidal activity.

scholarly journals Synthesis of calcium-phosphate and chitosan bioceramics for bone regeneration

2001 ◽  
Vol 73 (4) ◽  
pp. 525-532 ◽  
Author(s):  
MELLATIE R. FINISIE ◽  
ATCHE JOSUÉ ◽  
VALFREDO T. FÁVERE ◽  
MAURO C. M. LARANJEIRA
Keyword(s):  
Bone Regeneration ◽  
Solid Phase ◽  
Thermo Gravimetric Analysis ◽  
Analytical Techniques ◽  
Bone Substitutes ◽  
Gravimetric Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Beneficial Effects ◽  
Fourier Transformed Infrared Spectroscopy

Bioceramic composites were obtained from chitosan and hydroxyapatite pastes synthesized at physiological temperature according to two different syntheses approaches. Usual analytical techniques (X-ray diffraction analysis, Fourier transformed infrared spectroscopy, Thermo gravimetric analysis, Scanning electron microscopy, X-ray dispersive energy analysis and Porosimetry) were employed to characterize the resulting material. The aim of this investigation was to study the bioceramic properties of the pastes with non-decaying behavior from chitosan-hydroxyapatite composites. Chitosan, which also forms a water-insoluble gel in the presence of calcium ions, and has been reported to have pharmacologically beneficial effects on osteoconductivity, was added to the solid phase of the hydroxyapatite powder. The properties exhibited by the chitosan-hydroxyapatite composites were characteristic of bioceramics applied as bone substitutes. Hydroxyapatite contents ranging from 85 to 98% (w/w) resulted in suitable bioceramic composites for bone regeneration, since they showed a non-decaying behavior, good mechanical properties and suitable pore sizes.

scholarly journals High Throughput Screening and Characterization Methods of Jordanian Oil Shale as a Case Study

Energies ◽  
2019 ◽  
Vol 12 (16) ◽  
pp. 3148 ◽  
Author(s):  
Ziad Abu El-Rub ◽  
Joanna Kujawa ◽  
Esra’a Albarahmieh ◽  
Nafisah Al-Rifai ◽  
Fathieh Qaimari ◽  
...  
Keyword(s):  
High Throughput Screening ◽  
Oil Shale ◽  
Analytical Techniques ◽  
Economic Feasibility ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Characterization Methods ◽  
X Ray ◽  
Hydrogen Mass

Oil shale is an important possible solution to the problem of energy in Jordan. To explore the technical and the economic feasibility of oil shale deposits, numerous samples are analyzed using the standard Fischer Assay (FA) method. However, it would be useful to develop faster, cheaper, and reliable methods for determining the oil content of oil shale. Therefore, the aim of this work was to propose and investigate rapid analytical techniques for the screening of oil shale deposits and to correlate them with the FA method. The Omari deposit located east of Jordan was selected as a case study for analysis using thermogravimetric analysis (TGA) coupled with Fourier-transform infrared (FTIR), differential scanning calorimetry (DSC), elemental analysis, X-ray fluorescence (XRF), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray (EDX) analysis. Results obtained from the TGA method were linearly correlated with FA with high regression factor (R2 = 0.99); a quadratic correlation (R2 = 0.98) was maintained between the FA and the elemental hydrogen mass content, and a quadratic correlation (R2 = 0.97) was found between the FA and the aliphatic hydrocarbons (FTIR peak at 2927 cm−1) produced in the pyrolysis zone. Although other techniques were less correlated, further investigation might lead to better results. Subsequently, these correlated techniques can be a practical alternative to the conventional FA method when, in particular, specific correlation is made for each deposit.

scholarly journals Структура и термодинамические свойства SmGaGe-=SUB=-2-=/SUB=-O-=SUB=-7-=/SUB=-

2020 ◽  
Vol 62 (2) ◽  
pp. 332
Author(s):  
Л.Т. Денисова ◽  
М.С. Молокеев ◽  
Л.А. Иртюго ◽  
В.В. Белецкий ◽  
Н.В. Белоусова ◽  
...  
Keyword(s):  
Differential Scanning Calorimetry ◽  
Heat Capacity ◽  
Solid Phase Synthesis ◽  
Solid Phase ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Phase Synthesis ◽  
High Temperature Heat Capacity ◽  
X Ray ◽  
Temperature Heat

SmGaGe2O7 has been prepared by solid-phase synthesis in air at temperatures from 1273 to 1473 K using the Sm2O3, Ga2O3, and GeO2 oxides as starting materials. The structure of the studied germanate was determined by X-ray diffraction (space group P2_1 / c; a = 7.18610(9) Angstrem, b = 6.57935(8) Angstrem, c = 12.7932(2) Angstrem). Its high-temperature heat capacity has been measured by differential scanning calorimetry. The obtained experimental dependence C_p = f (T) has been used to evaluate the thermodynamic properties of the compound.

scholarly journals Estimating the Solubility, Solution Thermodynamics, and Molecular Interaction of Aliskiren Hemifumarate in Alkylimidazolium Based Ionic Liquids

Molecules ◽  
2019 ◽  
Vol 24 (15) ◽  
pp. 2807 ◽  
Author(s):  
Md. Khalid Anwer ◽  
Mohammad Muqtader ◽  
Muzaffar Iqbal ◽  
Raisuddin Ali ◽  
Bjad K. Almutairy ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Interaction ◽  
Solid Phase ◽  
Solution Thermodynamics ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Different Temperatures ◽  
Phase Evaluation ◽  
The Ideal

Estimating the solubility and solution thermodynamics parameters of aliskiren hemifumarate (AHF) in three different room temperature ionic liquids (RTILs), Transcutol-HP (THP) and water are interesting as there is no solubility data available in the literature. In the current study, the solubility and solution thermodynamics of AHF in three different RTILs, THP and water at the temperature range from 298.2 to 318.2 K under air pressure 0.1 MP were evaluated. The solid phase evaluation by Differential Scanning Calorimetry (DSC) and Powder X-ray Diffraction (PXRD) indicated no conversion of AHF into polymorph. The mole fraction solubility of AHF was found to be highest in 1-hexyl-3-methylimidazolium hexafluorophosphate (HMMHFP) ionic liquid (7.46 × 10−2) at 318.2 K. The obtained solubility values of AHF was regressed by the Apelblat and van’t Hoff models with overall root mean square deviations (RMSD) of 0.62% and 1.42%, respectively. The ideal solubility of AHF was higher compared to experimental solubility values at different temperatures. The lowest activity coefficient was found in HMMHFP, which confirmed highest molecular interaction between AHF–HMMHFP. The estimated thermodynamic parameters confirmed endothermic and entropy driven dissolution of AHF in different RTILs, THP, and water.

scholarly journals Stabilising peroxyacids in niche microenvironments

2014 ◽  
Vol 70 (a1) ◽  
pp. C644-C644
Author(s):  
Dyanne Cruickshank ◽  
Chick Wilson
Keyword(s):  
Chemical Reactivity ◽  
Analytical Techniques ◽  
Direct Consequence ◽  
High Reactivity ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Wide Range ◽  
Chemically Reactive Species ◽  
Household Cleaning Products

There has been dramatic evolution in the formulation of household cleaning products over the last decade, this is mainly due to the influence of social change, regulatory pressure and the need for new less toxic, safer formulations with increased performance. Due to their high chemical reactivity, peroxides are found in a wide range of bleaching agents, they are known for their instability which is a direct consequence of their high reactivity (in turn essential for function). Stabilising such materials for implementation in a range of product types is a significant target within the domestic products industry. Supramolecular approaches are already being explored to try stabilise other chemically reactive species such as explosives [1,2] thus illustrating the feasibility of this research. The work to be presented will deal with peroxyacids that include small model compounds such as m-chloroperbenzoic acid as well as a commericially relevant bleaching agent and their inclusion in both crystalline and amorphous hosting systems. Single crystal X-ray diffraction methods are used to elucidate the ordered crystalline structures and to confirm whether or not the peroxo group is still intact within the crystalline host environments. Simple reactivity tests are used to demonstrate whether or not the amorphous host-guest complexes contain the active peroxy acid within their host cavity. Other complementary analytical techniques such as powder X-ray diffraction, differential scanning calorimetry and thermogravimetry have also been used to characterise the newly-hosted peroxyacid materials. By hosting these molecules in microenvironments it is possible to prepare formulations that are less pH sensitive, thus making their storage safer while allowing their reactivity to be controlled and tuned.

Solid phase behavior of mixture systems based on tripalmitoyl glycerol and monounsaturated triacylglycerols forming a molecular compound

2022 ◽  
Author(s):  
Jorge Macridachis ◽  
Laura Bayés-García ◽  
Teresa Calvet
Keyword(s):  
Differential Scanning Calorimetry ◽  
Phase Behavior ◽  
Solid Phase ◽  
Molecular Compound ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Mixing Behavior

Differential scanning calorimetry and X-ray diffraction were used to investigate the mixing behavior of triacylglycerol (TAG) mixtures of PPP/PPO (tripalmitoyl glycerol/1,2-dipalmitoyl-3-oleoyl-rac-glycerol) and PPP/MCPOP/PPO (being MCPOP/PPO the equimolecular blend of 1,3-dipalmitoyl-2-oleoyl-glycerol...

Cryogenic mechanical milling of high density polyethylene

e-Polymers ◽  
2009 ◽  
Vol 9 (1) ◽  
Author(s):  
Ana Paula Cysne Barbosa ◽  
Michael Stranz ◽  
Frank Katzenberg ◽  
Uwe Köster
Keyword(s):  
Mechanical Milling ◽  
Solid Phase ◽  
Polarized Light ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Monoclinic Modification ◽  
X Ray ◽  
Responsible Mechanism ◽  
Solid Phase Transition ◽  
Melting And Crystallization

AbstractHDPE was analyzed after being submitted to cryogenic mechanical milling (CMM) by X-ray diffraction (WAXS), polarized light microscopy and differential scanning calorimetry (DSC). After CMM, besides the known phase transformation of the orthorhombic PE crystals into the monoclinic modification, slight changes in the melting and crystallization behavior as well as an unexpected increase in crystallinity were observed. The observed results can be explained by assuming a solid/solid phase transition as the responsible mechanism.

scholarly journals Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules

IUCrJ ◽  
2018 ◽  
Vol 5 (3) ◽  
pp. 309-324 ◽  
Author(s):  
Abida Rehman ◽  
Amit Delori ◽  
David S. Hughes ◽  
William Jones
Keyword(s):  
Analytical Techniques ◽  
Gravimetric Analysis ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Evaporative Crystallization ◽  
Structural Database ◽  
Crystalline Forms ◽  
Good Agreement

Pharmaceutical salt solvates (dimethyl sulfoxide, DMSO) of the drug triamterene with the coformers acetic, succinic, adipic, pimelic, azelaic and nicotinic acid and ibuprofen are prepared by liquid-assisted grinding and solvent-evaporative crystallization. The modified ΔpK a rule as proposed by Cruz-Cabeza [(2012). CrystEngComm, 14, 6362–6365] is in close agreement with the results of this study. All adducts were characterized by X-ray diffraction and thermal analytical techniques, including single-crystal X-ray diffraction, powder X-ray diffraction, differential scanning calorimetry and thermal gravimetric analysis. Hydrogen-bonded motifs combined to form a variety of extended tapes and sheets. Analysis of the crystal structures showed that all adducts existed as salt solvates and contained the aminopyridinium–carboxylate heterodimer, except for the solvate containing triamterene, ibuprofen and DMSO, as a result of the presence of a strong and stable hemitriamterenium duplex. A search of the Cambridge Structural Database (CSD 5.36, Version 1.18) to determine the frequency of occurrence of the putative supramolecular synthons found in this study showed good agreement with previous work.

scholarly journals Synthesis of Polytetrahydrofuran Using Protonated Kaolin as A Solid Acid Catalyst

2019 ◽  
Vol 14 (2) ◽  
pp. 294
Author(s):  
Abdelhak Moumen ◽  
Zhour Hattab ◽  
Youghourta Belhocine ◽  
Kamel Guerfi ◽  
Nacer Rebbani
Keyword(s):  
Solid Acid ◽  
Solid Acid Catalyst ◽  
Analytical Techniques ◽  
Acid Catalyst ◽  
Crystalline Substance ◽  
High Catalytic Activity ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Ft Ir

In this work, a non-toxic protonated kaolin clay exchanged with protons, was successfully applied as a solid acid catalyst for the polymerization of tetrahydrofuran (poly(THF)) at room temperature in the presence of acetic anhydride. Prior to using the kaolin as a catalyst, it was treated with HCl (0.1 M) and characterized using various analytical techniques. The amounts of catalyst and reaction time on the conversion of THF were investigated. Characterizations of nuclear magnetic Resonance of proton (1H-NMR), Fourier Transform Infrared spectroscopy (FT-IR), X-ray Diffraction (XRD), Optical Microscopy (OM), and Differential Scanning Calorimetry (DSC) techniques were used to examine the resulting polymer. X-ray characterization and DSC data indicated that the obtained poly(THF) is a highly crystalline substance. The results showed that protonated kaolin (kaolin–H+) has a high catalytic activity for the polymerization of THF with a conversion rate of 50.02% after 20 hours. Copyright © 2019 BCREC Group. All rights reserved. 

scholarly journals Facile Synthesis of Mn0.68Bi0.32OCl Mix-Crystals And Its Supercapacitive Behavior

2021 ◽  
Author(s):  
Y.Z. Song ◽  
B.X. Qi ◽  
M.T. Li ◽  
J.M. Xie
Keyword(s):  
Surface Area ◽  
Solid Phase ◽  
Life Time ◽  
Molar Ratio ◽  
Phase Method ◽  
X Ray Diffraction ◽  
Facile Synthesis ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Solid Phase Method

Abstract Mn0.68Bi0.32OCl mix-crystals for supercapacitor were successfully synthesized via a facile solid-phase method using Bi(NO3)3 and MnCl2 with molar ratio of 1:1 as precursors. The Mn0.68Bi0.32OCl mix-crystals were characterized by scanning electron microscopy, X-ray diffraction, Brunauer-Emmett-Teller surface area measurements and thermogravimetry and differential scanning calorimetry, respectively. Cyclic voltammetry and galvanostatic charge/discharge technique were performed for the Mn0.68Bi0.32OCl mix-crystals in 1 M Na2SO4 aqueous solutions; the specific capacitance of Mn0.68Bi0.32OCl was about 203 F.g-1 at the current density of 3 A. g-1 with a long life time, owing to the high power density of Mn0.68Bi0.32OCl mix-crystals and the higher surface area, good conductivity, and high stability of the Mn0.68Bi0.32OCl mix-crystals.

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