Study on Zeolite X Complexing Dimethyl Potassium

2016 ◽  
Vol 697 ◽  
pp. 761-765
Author(s):  
Yue Hu ◽  
Nan Chun Chen ◽  
Hui Xu ◽  
L.J. Yang ◽  
L.L. Ma ◽  
...  
Keyword(s):  
Hydrothermal Synthesis ◽  
Hydrogen Bonds ◽  
Antimicrobial Agent ◽  
Amino Group ◽  
Mass Ratio ◽  
Zeolite X ◽  
Antibacterial Test ◽  
Inhibitory Rate ◽  
Free Hydroxyl

The study took zeolite X as carrier and chitosan as intermediate to compound dimethyl potassium to prepare zeolite X antimicrobial agent by hydrothermal synthesis. The best condition to prepare zeolite X antimicrobial agent is: Mass ratio of zeolite X:Chitosan:dimethyl potassium is 3:1:2, temperature is 40 °C and time is 2 h. Through antibacterial test, we can see that the best inhibitory rate is 78.16%, and release effect significantly enhanced. We studied the structure of zeolite X antimicrobial agent by IR, XRD, SEM, XPS. It can be concluded that: The H on amino-group of chitosan can form hydrogen bonds with O on dimethyl potassium and zeolite X and the hydrogen bonds Play a major role in connecting dimethyl potassium and zeolite X; Free hydroxyl on zeolite X can form hydrogen bonds with O in C-O of chitosan. And it may form hydrogen bonds with O in C=O of dimethyl potassium. And explain the reason of improving of antimicrobial.

The effect of partial methylation of the glycine amino group on crystal structure inN,N-dimethylglycine and its hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o283-o287 ◽  
Author(s):  
Vasily S. Minkov ◽  
Elena V. Boldyreva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Partial Methylation ◽  
Space Groups ◽  
Carboxylate Groups ◽  
Anhydrous Compound ◽  
Additional Hydrogen

N,N-Dimethylglycine, C4H9NO2, and its hemihydrate, C4H9NO2·0.5H2O, are discussed in order to follow the effect of the methylation of the glycine amino group (and thus its ability to form several hydrogen bonds) on crystal structure, in particular on the possibility of the formation of hydrogen-bonded `head-to-tail' chains, which are typical for the crystal structures of amino acids and essential for considering amino acid crystals as mimics of peptide chains. Both compounds crystallize in centrosymmetric space groups (PbcaandC2/c, respectively) and have twoN,N-dimethylglycine zwitterions in the asymmetric unit. In the anhydrous compound, there are no head-to-tail chains but the zwitterions formR44(20) ring motifs, which are not bonded to each other by any hydrogen bonds. In contrast, in the crystal structure ofN,N-dimethylglycinium hemihydrate, the zwitterions are linked to each other by N—H...O hydrogen bonds into infiniteC22(10) head-to-tail chains, while the water molecules outside the chains provide additional hydrogen bonds to the carboxylate groups.

scholarly journals Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium 4-methylbenzenesulfonate

2018 ◽  
Vol 74 (8) ◽  
pp. 1159-1162
Author(s):  
Ramalingam Sangeetha ◽  
Kasthuri Balasubramani ◽  
Kaliyaperumal Thanigaimani ◽  
Savaridasson Jose Kavitha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Hirshfeld Surface ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Graph Set ◽  
Molecular Salt ◽  
Sulfonate Anion ◽  
Hydrogen Bonded

In the title molecular salt, C9H10N5 +·C7H7O3S−, the asymmetric unit consists of a 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium cation and a 4-methylbenzenesulfonate anion. The cation is protonated at the N atom lying between the amine and phenyl substituents. The protonated N and amino-group N atoms are involved in hydrogen bonding with the sulfonate O atoms through a pair of intermolecular N—H...O hydrogen bonds, giving rise to a hydrogen-bonded cyclic motif with R 2 2(8) graph-set notation. The inversion-related molecules are further linked by four N—H...O intermolecular interactions to produce a complementary DDAA (D = donor, A = acceptor) hydrogen-bonded array, forming R 2 2(8), R 4 2(8) and R 2 2(8) ring motifs. The centrosymmetrically paired cations form R 2 2(8) ring motifs through base-pairing via N—H...N hydrogen bonds. In addition, another R 3 3(10) motif is formed between centrosymetrically paired cations and a sulfonate anion via N—H...O hydrogen bonds. The crystal structure also features weak S=O...π and π–π interactions. Hirshfeld surface and fingerprint plots were employed in order to further study the intermolecular interactions.

Hydrogen-bonding patterns in the cocrystal 2,4-diamino-6-phenyl-1,3,5-triazine–sorbic acid (1/1)

2007 ◽  
Vol 63 (11) ◽  
pp. o4450-o4451 ◽  
Author(s):  
Kaliyaperumal Thanigaimani ◽  
Packianathan Thomas Muthiah ◽  
Daniel E. Lynch
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Sorbic Acid ◽  
Carboxyl Group ◽  
Amino Group ◽  
Acid Molecule ◽  
Asymmetric Unit ◽  
Graph Set ◽  
Bonding Patterns

In the title cocrystal, C9H9N5·C6H8O2, the asymmetric unit contains one 2,4-diamino-6-phenyl-1,3,5-triazine molecule and a sorbic acid molecule. The triazine molecules are base-paired [with a graph set of R 2 2(8)] on either side via N—H...N hydrogen bonds, forming a supramolecular ribbon along the c axis. Each triazine molecule interacts with the carboxyl group of a sorbic acid molecule via N—H...O and O—H...N hydrogen bonds, generating R 2 2(8) motifs. The supramolecular ribbons are interlinked by N—H...O hydrogen bonds involving the 2-amino group of the triazine molecules and the carboxyl O atom of the sorbic acid molecule.

Synthesis, spectroscopic (FT–IR and UV–Vis), crystallographic and theoretical studies, and a molecular docking simulation of an imatinib-like template

2019 ◽  
Vol 75 (12) ◽  
pp. 1681-1689
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Kevin Arango-Daraviña ◽  
Esteban Garcia ◽  
Juan-C. Tenorio ◽  
Javier Ellena
Keyword(s):  
Crystal Growth ◽  
Hydrogen Bonds ◽  
Docking Simulation ◽  
Myelogenous Leukemia ◽  
Amino Group ◽  
Protein Residues ◽  
Function Analyzer ◽  
Stretching Vibration ◽  
Donor Acceptor ◽  
Ft Ir

The aim of the present study was to report the crystal structure and spectroscopic, electronic, supramolecular and electrostatic properties of a new polymorph of 4-(pyridin-2-yl)pyrimidin-2-amine (C9H8N4). The compound was synthesized under microwave irradiation. The single-crystal X-ray structure analysis revealed an angle of 13.36 (8)° between the planes of the rings, as well as molecules linked by Nsp 2—H...N hydrogen bonds forming dimers along the crystal. The material was analyzed by FT–IR vibrational spectroscopy, while a computational approach was used to elucidate the vibrational frequency couplings. The existence of Nsp 2—H...N hydrogen bonds in the crystal was confirmed spectroscopically by the IR peaks from the N—H stretching vibration shifting to lower wavenumbers in the solid state relative to those in the gas phase. The supramolecular studies confirmed the formation of centrosymmetric R 2 2(8) rings, which correspond to the formation of dimers that stack parallel to the b direction. Other weak C—H...π interactions, essential for crystal growth, were found. The UV–Vis spectroscopic analysis showed a donor–acceptor process, where the amino group acts as a donor and the pyridine and pyrimidine rings act as acceptors. The reactive sites of the molecule were identified and their quantitative values were defined using the electrostatic potential model proposed in the multifunctional wave function analyzer multiwfn. The calculated interaction energies between pairs of molecules were used to visualize the electrostatic terms as the leading factors against the dispersion factors in the crystal-growth process. The docking results showed that the amino group of the pyrimidine moiety was simultaneously anchored by hydrogen-bonding interactions with the Asp427 and His407 protein residues. This compound could be key for the realization of a series of syntheses of molecules that could be used as possible inhibitors of chronic myelogenous leukemia.

scholarly journals One-Step Hydrothermal Synthesis of Zeolite X Powder from Natural Low-Grade Diatomite

Materials ◽  
2018 ◽  
Vol 11 (6) ◽  
pp. 906 ◽  
Author(s):  
Guangyuan Yao ◽  
Jingjing Lei ◽  
Xiaoyu Zhang ◽  
Zhiming Sun ◽  
Shuilin Zheng
Keyword(s):  
Hydrothermal Synthesis ◽  
Low Grade ◽  
Zeolite X ◽  
One Step

scholarly journals 2-Amino-6-methylpyridinium 2,2,2-trichloroacetate

2014 ◽  
Vol 70 (4) ◽  
pp. o391-o392 ◽  
Author(s):  
K. Syed Suresh Babu ◽  
G. Peramaiyan ◽  
M. NizamMohideen ◽  
R. Mohan
Keyword(s):  
Hydrogen Bonds ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Molecular Salt ◽  
Ring Motif ◽  
Hydrogen Bonded

In the asymmetric unit of the title molecular salt, C6H9N2+·C2Cl3O2−, there are two independent 2-amino-6-methylpyridinium cations and two independent trichloroacetate anions. The pyridine N atom of the 2-amino-6-methylpyridine molecule is protonated and the geometries of these cations reveal amine–imine tautomerism. Both protonated 2-amino-6-methylpyridinium cations are essentially planar [maximum deviations = 0.026 (2) and 0.012 (2) Å]. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anionviaa pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are connectedviaN—H...O and C—H...O hydrogen bonds to form slabs parallel to (101).

scholarly journals Crystal structure of (Z)-3-benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1292-o1292 ◽  
Author(s):  
Nadir Ghichi ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Amino Group ◽  
Supramolecular Architecture ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H17NO3, the methylidenecyclohexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hydroxybenzene rings, respectively. The amino group links with the carbonyl O atomviaan intramolecular N—H...O hydrogen bond, forming anS(6) ring motif. In the crystal, the molecules are linked by O—H...O hydrogen bonds and weak C—H...O and C—H...π interactions, forming a three-dimensional supramolecular architecture.

A·I and A·G polynucleotide pairing. Controlling effect of amino-group hydrogen bonds to solvent water

Biochemistry ◽  
1977 ◽  
Vol 16 (21) ◽  
pp. 4637-4646 ◽  
Author(s):  
F. B. Howard ◽  
Masao Hattori ◽  
Joe Frazier ◽  
H. Todd Miles
Keyword(s):  
Hydrogen Bonds ◽  
Amino Group ◽  
Solvent Water ◽  
Controlling Effect

A Novel Poly(amido amine) with Methoxy Carbonyl Groups and High Charge Density: Synthesis and Nanoscopic Selfassembly with Polyanion

e-Polymers ◽  
2007 ◽  
Vol 7 (1) ◽  
Author(s):  
Wu Chuan-bao ◽  
Hao Jian-yuan ◽  
Xian-mo Deng
Keyword(s):  
Charge Density ◽  
Addition Reaction ◽  
Amino Group ◽  
Carbonyl Groups ◽  
Mass Ratio ◽  
Anionic Polymer ◽  
High Charge ◽  
Self Assembling ◽  
High Charge Density ◽  
Tetraethylene Pentamine

AbstractA novel poly(amido amine) with methoxy carbonyl groups, high charge density and broad nitrogen profile, was synthesized from tetraethylene pentamine (TEPA) and methyl acrylate (MA), and named as PTMA. During synthesis, on one hand, double bond of MA was added with amino group of TEPA by Michael addition reaction and, on the other hand, methoxy carbonyl group of MA was nucleophilicly substituted by amino group of TEPA. There are primary, secondary, tertiary amines and amide groups in PTMA molecule. Acid base titration indicated that the polymer was protonated in the range of both pH 5.0 to pH 7.4 and pH 7.4 to pH 11, which is indicative of not only good self-assembling capability with polyanion but also desirable proton sponge effect as shown by polyethylenimine (PEI). In aqueous solution, PTMA self-assembled with weak anionic polymer, poly(acrylic acid) (PAA), to form nanoparticles. The particle size first increased and then decreased with increasing mass ratio of PTMA to PAA, which is defined as θ. At all examined θ values, self-assembling particles with diameter less than 200 nm were obtained. The UV-Vis absorbance curve of self-assembling complex solution at first day overlapped with that at seventh day, indicating that self-assembling particles were stable.

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