scholarly journals Synthesis, Characterization and Morphological Study of Nicotinamide and p-Coumaric Acid Cocrystal

2020 ◽  
Vol 20 (3) ◽  
pp. 661
Author(s):  
Mohamad Nor Amirul Azhar Kamis ◽  
Hamizah Mohd Zaki ◽  
Nornizar Anuar ◽  
Mohammad Noor Jalil
Keyword(s):  
Single Crystal ◽  
Molar Ratio ◽  
Structure Stability ◽  
Coumaric Acid ◽  
X Ray Diffraction ◽  
Molar Ratios ◽  
Dpph Scavenging ◽  
Experimental Crystal ◽  
Polar Functional Groups ◽  
Cocrystal Structure

Cocrystallization is one of the potent methods used to modify the physicochemical properties of drugs. Cocrystal of nicotinamide (NIC):p-coumaric acid (COU) was synthesized by a slow evaporation method using acetonitrile. The cocrystals with different feed molar ratios (NIC:COU : 1:1, 1:2, and 2:1) were characterized using DSC, PXRD, and FTIR, which revealed the formation of different polymorphs for each feed molar ratio. A single crystal of the NIC:COU (1:1) cocrystal was analyzed using single crystal X-ray diffraction (SCD), and 1H-NMR revealed a greater cocrystal structure stability compared to the previously published cocrystal. The intermolecular hydrogen bonds, N-H···O, and O-H···O interactions played a major role in stabilizing the cocrystal structure. A molecular modeling technique was used for prediction and surface chemistry assessment of the morphology showed an elongated (along y-axis) octagonal crystal shape which was in a reasonable agreement with the experimental crystal morphology. The reduction in values of the cocrystal solubility in ethanol was supported by the DSC data and simulation of crystal facets where most the crystal facets exposed to polar functional groups. At the concentration of 31.3 µM, NIC:COU (1:1) cocrystal showed more effective DPPH scavenging with 77.06% increased activity compared to NIC at the same concentration.

scholarly journals Photocatalytic Reduction of CO2 to Methanol Using a Copper-Zirconia Imidazolate Framework

Catalysts ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 346
Author(s):  
Sonam Goyal ◽  
Maizatul Shima Shaharun ◽  
Ganaga Suriya Jayabal ◽  
Chong Fai Kait ◽  
Bawadi Abdullah ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Catalyst Support ◽  
Oxidation Potential ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molar Ratios ◽  
Optimum Parameters ◽  
Reduction Of Co2 ◽  
Enhanced Yield

A set of novel photocatalysts, i.e., copper-zirconia imidazolate (CuZrIm) frameworks, were synthesized using different zirconia molar ratios (i.e., 0.5, 1, and 1.5 mmol). The photoreduction process of CO2 to methanol in a continuous-flow stirred photoreactor at pressure and temperature of 1 atm and 25 °C, respectively, was studied. The physicochemical properties of the synthesized catalysts were studied using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectroscopy. The highest methanol activity of 818.59 µmol/L.g was recorded when the CuZrIm1 catalyst with Cu/Zr/Im/NH4OH molar ratio of 2:1:4:2 (mmol/mmol/mmol/M) was employed. The enhanced yield is attributed to the presence of Cu2+ oxidation state and the uniformly dispersed active metals. The response surface methodology (RSM) was used to optimize the reaction parameters. The predicted results agreed well with the experimental ones with the correlation coefficient (R2) of 0.99. The optimization results showed that the highest methanol activity of 1054 µmol/L.g was recorded when the optimum parameters were employed, i.e., stirring rate (540 rpm), intensity of light (275 W/m2) and photocatalyst loading (1.3 g/L). The redox potential value for the CuZrIm1 shows that the reduction potential is −1.70 V and the oxidation potential is +1.28 V for the photoreduction of CO2 to methanol. The current work has established the potential utilization of the imidazolate framework as catalyst support for the photoreduction of CO2 to methanol.

Sol-gel synthesis and characterization of Ag nanoparticles in ZrO2 thin films

2009 ◽  
Vol 24 (8) ◽  
pp. 2541-2546 ◽  
Author(s):  
Eisuke Yokoyama ◽  
Hironobu Sakata ◽  
Moriaki Wakaki
Keyword(s):  
Thin Films ◽  
Sol Gel ◽  
Composite Films ◽  
Dip Coating ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Silver Surface ◽  
Molar Ratios ◽  
Sol Gel Synthesis

ZrO2 thin films containing silver nanoparticles were prepared using the sol-gel method with Ag to Zr molar ratios [Ag]/[Zr] = 0.11, 0.25, 0.43, 0.67, 1.00, 1.50, and 2.33. After dip coating on glass substrate, coated films were annealed at 200 and 300 °C in air. X-ray diffraction peaks corresponding to crystalline Ag were observed, but a specific peak corresponding to ZrO2 was not observed. At the molar ratio [Ag]/[Zr] = 0.25, the particle size of Ag distributed broadly centered at 17 nm for an annealing temperature of 200 °C and at 25 nm for 300 °C. The films annealed in air at 200 °C showed an absorption band centered at 450 nm because of the silver surface plasmon resonance, whereas films heated at 300 °C in air caused a red shift of the absorption to 500 nm. The absorption peak was analyzed using the effective dielectric function of Ag-ZrO2 composite films modeled with the Maxwell-Garnett expression.

scholarly journals Metakaolinite Phosphate Cementitious Matrix: Inorganic Polymer Obtained by Acidic Activation

Materials ◽  
2019 ◽  
Vol 12 (3) ◽  
pp. 442 ◽  
Author(s):  
Antigoni Katsiki ◽  
Tobias Hertel ◽  
Tine Tysmans ◽  
Yiannis Pontikes ◽  
Hubert Rahier
Keyword(s):  
Compressive Strength ◽  
Optimum Composition ◽  
Molar Ratio ◽  
High Porosity ◽  
X Ray Diffraction ◽  
Promising Candidate ◽  
Cementitious Matrix ◽  
Molar Ratios ◽  
Optimal Behavior ◽  
Amorphous Network

This work aims to study an aluminosilicate phosphate cementitious matrix. The cementitious matrix was studied on paste samples. The synthesis of metakaolinite phosphate cement (MKPC) was investigated using calorimetric techniques. A systematic study was performed by emphasizing a broad range of Al/P molar ratios, covering the different behavior of the material to the extremes, as well as the optimum composition. X-ray diffraction and scanning electron microscopy revealed that the final structure was mainly an amorphous network, albeit with some non-reacted phases. The compressive strength was studied on mortars using a cement/sand ratio of 1:3. MKPC specimens with Al/P ratios close to 1/1 showed optimal behavior. MKPCs with Al/P ratios above 1/1 were characterized by high porosity and low strength, whereas MKPCs with Al/P < 1 contained an excess of phosphates. The influence of the Al/P molar ratio on compressive strength was also studied, reaching a maximum of 68 MPa for the optimum composition. Based on the results, MKPC may be a promising candidate for construction purposes.

scholarly journals Darstellung und Kristallstrukturen von (PH4P)4Sb8I28 und (Ph4P)Sb3I10(Ph = C6H5) / Synthesis and Crystal Structures of (PH4P)4Sb8I28 and (Ph4P)Sb3I10(Ph = C6H5)

1987 ◽  
Vol 42 (12) ◽  
pp. 1493-1499 ◽  
Author(s):  
Siegfried Pohl ◽  
Wolfgang Saak ◽  
Detlev Haase
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Lone Pair ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Molar Ratios ◽  
Polymeric Chains ◽  
Bond Strengths

AbstractThe compounds (Pn4P)4Sb8I28 (1) and (Ph4P)Sb3I10 (2) were prepared by the reaction of SbI3 and Ph4PI in acetonitrile (molar ratios 2:1 and 3:1 respectively). The structures of 1 and 2 were determined from single crystal X-ray diffraction data.1 crystallizes in the triclinic space group P1̄ with a - 1321.7(5). b = 1346.7(5), c = 2201.8(8) pm, α = 104.18(2). β = 99.92(2), γ = 100.33(2)°; 2: monoclinic, C2/c, a = 2371.1(2), b = 745.0(1), c = 2495.1(2) pm, β = 100.75(1)°.Whereas 1 exhibits isolated Sb8I284- ions, the anions of 2 are built up of polymeric chains [Sb3I10- ]∞. In both compounds the distorted Sbl6 octahedra are linked by common edges. The Sb-I distances are in the range between 277.4 and 354.8 pm (1) and between 277.4 and 342.4 pm (2). The observed structures do not only depend on stoichiometry, the nature of the counter cations, and the possibility of oligomerisation but also on the wide variety of the Sb-I bond strengths and the different bridges formed by iodine.The lone pair of Sb(III) seems to be predominantly 5 s2.

Darstellung und Kristallstruktur von K49Tl108 / Preparation and Crystal Structure of K49T1108

1993 ◽  
Vol 48 (8) ◽  
pp. 1035-1040 ◽  
Author(s):  
Gerhard Cordier ◽  
Volker Müller
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray

K49T1108 was prepared from the elements (molar ratio K: Tl = 1:2) at 700 K. The crystal structure was determined by single crystal X-ray diffraction methods (a = 1728.7(1) pm, Pm 3, Z = 1, R = 0.086). It contains T112 icosahedra and Tl12 truncated tetrahedra (Kasper polyhedra). 20 truncated tetrahedra form Tl84-polyhedra (Samson polyhedra) by sharing hexagonal faces. These polyhedra are connected by common edges. Folded Tl13-chains connect the icosahedra and the Samson polyhedra to a framework. The truncated tetrahedra are occupied by potassium atoms.

Cathode Material Li [Li0.2 Mn0.44Ni0.18Co0.18]O2 Synthesized by Molten Salt Method

2013 ◽  
Vol 690-693 ◽  
pp. 981-984
Author(s):  
Guang Xin Fan ◽  
Hui Lian Li ◽  
Shu Pu Dai ◽  
Chuan Xiang Zhang ◽  
Xue Mao Guan ◽  
...  
Keyword(s):  
Molten Salt ◽  
Specific Area ◽  
Constant Current ◽  
Molar Ratio ◽  
Molten Salt Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molar Ratios ◽  
Structures And Properties ◽  
Constant Current Charge

In this paper, LiOH·H2O and Li2CO3, which were widely used in industry and (Mn0.533Co0.233Ni0.233) (OH)2prepared by ourselves selected as starting materials, series materials of lithium-rich layered material Li [Li0.2Mn0.44Ni0.18Co0.18]O2were obtained by a molten salt method. Their structures and properties of the materials were investigated by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) and constant current charge/discharge methods. The effects of different LiOH and Li2CO3molar ratios on the Li [Li0.2Mn0.44Ni0.18Co0.18]O2structures and properties were characterized. The results of the experiments indicate that The structures of the material such as crystal structure, the specific area, particle size distribution, tap densities were controlled by adjusting the proportion of the two lithium sources. Forthermore , when the molar ratio of LiOH and Li2CO3was 3:7, the maximum discharge capacity (214.77 mAhg-1) of the cathode was obtained.

AlkalineEarthMetal-Hydride-Iodide Compounds: Syntheses andCrystal Structures of Sr2H3I and Ba5H2I3.9(2)O2

2011 ◽  
Vol 66 (1) ◽  
pp. 21-26
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Structural Model ◽  
Structure Type ◽  
Lattice Parameters ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Compounds

Single crystals of Sr2H3I andBa5H2I3.9(2)O2 were obtained by reacting Sr or Ba, respectively, with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules for 13 h at 1200 K. The crystal structures of the new compounds have been determined by means of single-crystal X-ray diffraction. Sr2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Ba2H3Cl in the space group P3m1 (no. 164) with the lattice parameters a = 426.0(1) and c = 774.9(2) pm, while Ba5H2I3.9(2)O2 crystallizes in a new structure type in the space group Cmcm (no. 63) with the lattice parameters a = 1721.0(2), b = 1452.5(2) and c = 639.03(9) pm. The structural results for Sr2H3I are corroborated by EUTAX calculations. For the disordered compound Ba5H2I3.9(2)O2, EUTAX calculations on an approximated, ordered structural model were used to find possible insights into the disorder

scholarly journals Liquid petroleum gas sensing performance enhanced by CuO modification of nanocrystalline ZnO-TiO2

2016 ◽  
Vol 34 (3) ◽  
pp. 571-581
Author(s):  
R.B. Pedhekar ◽  
F.C. Raghuwanshi ◽  
V.D. Kapse
Keyword(s):  
Thick Film ◽  
Gas Sensing ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molar Ratios ◽  
Transmission Electron ◽  
Liquid Petroleum Gas ◽  
Synthesized Materials ◽  
Sensing Characteristics

AbstractNanocrystalline ZnO-TiO2 (with molar ratios 9:1, 7:3, 1:1, 3:7 and 1:9) were successfully synthesized by hydrothermal method. Synthesized materials were examined with the help of X-ray diffraction and transmission electron microscope. Liquid petroleum gas sensing characteristics of the ZnO-TiO2 films were investigated at different operating temperatures. The ZnO-TiO2 thick film (with 1:1 molar ratio) exhibited good response toward liquid petroleum gas as compared to other investigated compositions. Further, liquid petroleum gas sensing characteristics of CuO modified ZnO-TiO2 thick films were investigated. 0.2 M CuO modified ZnO-TiO2 thick film exhibited excellent liquid petroleum gas sensing characteristics such as higher response (~ 1637.49 at 185 °C) with quick response time (~30 s), low recovery time (~70 s), excellent repeatability and stability at low operating temperature.

scholarly journals Coordination behavior of PPh2{C6H4[CH2N(CH2CH2)2O]-2}: Case study CdCl2[PPh2{C6H4[CH2N(CH2CH2)2O]-2}]

2021 ◽  
Vol 44 (1) ◽  
pp. 261-266
Author(s):  
Ancuța Covaci ◽  
Cristian Silvestru ◽  
Anca Silvestru
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Molar Ratio ◽  
Cadmium Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coordination Behavior ◽  
Supramolecular Networks

Abstract The reaction between CdCl2 and PPh2{C6H4 [CH2N(CH2CH2)2O]-2} (1) in a 1:1 molar ratio resulted in the cadmium(II) complex CdCl2[PPh2{C6H4[CH2N(CH2CH2)2O]-2}] (2). The complex 2 was characterized in solution by NMR spectroscopy (1H, 13C, and 31P). Single-crystal X-ray diffraction studies revealed no intramolecular N→P interaction in 1. The phosphane ligand behaves as a P,N chelating moiety in the cadmium complex 2, thus resulting in a species containing distorted tetrahedral environments around cadmium and phosphorus. Short intermolecular interactions CH‧‧‧π aryl and CH‧‧‧O in 1 and CH‧‧‧π aryl and CH‧‧‧Cl in 2 resulted in supramolecular networks.

scholarly journals Synthesis of Layered Octadecyltrimethylammonium-Templated Aluminosilicate and its Use as a Thickening Agentfor Lubricating Grease

2021 ◽  
Author(s):  
Lukun Han ◽  
Wenxing Niu ◽  
Xinrui Zhao ◽  
Hong Xu ◽  
Jinxiang Dong
Keyword(s):  
Molar Ratio ◽  
Wear Property ◽  
X Ray Diffraction ◽  
Lubricating Grease ◽  
X Ray ◽  
Molar Ratios ◽  
Simple Preparation ◽  
Dropping Point ◽  
27Al Mas Nmr ◽  
Aluminum Silicon

Abstract We describe herein the use of octadecyltrimethylammonium-templated aluminosilicate (designated as LS) as a thickener to induce gelation. LS samples with different aluminum/silicon molar ratios (Al/Si = 0, 0.05, 0.10, 0.15, 0.20) were synthesized hydrothermally and characterized by X-ray diffraction analysis, 27Al MAS NMR spectra, elemental analysis, and scanning electron microscopy. The aluminum/silicon molar ratio was shown to be an important factor affecting the rheological properties of LS gels. With increasing Al/Si molar ratio, the viscoelasticity and structural strength of LS gel were enhanced, the dropping point increased, and the amount of oil separation decreased. LS(0.20) gel exhibited superior relative elastic character. The strength of the LS(0.20) gel was also enhanced with increasing LS(0.20) content. In SRV tests, LS(0.20) gel with different contents showed good performance in terms of load-bearing ability and anti-wear property, indicating that LS was strongly adhered on the friction surface, and thereby promoted lubrication. Owing to simple preparation, the promising rheological and tribological properties, LS gel hold great potential application in lubricating grease.

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