scholarly journals Design, Characterization, X-ray Single-crystal, Potentiometric Measurements, Molecular Modeling and Biomedical Applications of Thiosemicarbazones

2021 ◽  
Author(s):  
Ahmed El-Sherif ◽  
Abeer A. El-Sisi ◽  
Mohamed Ali ◽  
Sohair F. Ramdan ◽  
Osama AlTaweel ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Single Crystal ◽  
Biomedical Applications ◽  
Antimicrobial Agents ◽  
Antimicrobial Activities ◽  
The Novel ◽  
Antitumor Activities ◽  
Promising Candidate ◽  
X Ray ◽  
Potentiometric Measurements

Abstract Series of thiosemicarbazone compounds ((E)-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (TSC1), (E)-N-ethyl-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide (TSC2) and (E)-N-phenyl-2-((E)-1-(2-(p-tolyl)hydrazono)propan-2-ylidene)hydrazine-1-carbothioamide)(TSC3) were synthesized and fully characterized by assistance of diverse physicochemical and spectroscopic tools like X-ray single-crystal, IR, mass, 1HNMR, Uv-Vis,…etc. potentiometric measurements, molecular modeling, as well as biological and antitumor activities screening. We have calculated and discussed the thermodynamics and protonation constants of TSC1 compound as a representative from the novel synthesized thiosemicarbazones. The solution speciation of different species was studied in accordance with pH. Molecular parameters of the optimized structures were calculated and discussed. The X-ray single crystal of TSC2 and TSC3 compounds have been established where TSC2 crystallizes in P21/c, a = 11.2343 (6) Å, b = 11.2575 (7) Å, c =11.8995 (8) Å, α = 90.00°, β = 94.476(7) °, γ = 90.0°, V = 1500.34 (16) Å3, Z = 4, however, TSC3 crystallizes in the space group P21/c, a = 27.958 (12) Å, b= 12.072 (5) Å, c = 9.833 (4) Å, α = 90.0°, β = 93.117(11) °, γ = 90.0°, V = 3486.75 Å3, Z = 7. Considering the antimicrobial activities and correlating structure-activity relationship for the synthesized compounds, TSC1 molecule behaves as a promising candidate as an antifungal agent versus Candida albicans. Consequently, that would be very helpful in the field of medicinal chemistry especially as antimicrobial agents. The results are of vital significance to the chemistry of antimicrobial agents.

scholarly journals Syntheses, Characterization, Crystal Structures and Antimicrobial Activity of Schiff Base Copper(II) Complexes Derived from 2-Bromo-6-((2-(isopropylamino) ethylimino)methyl)phenol

2021 ◽  
Vol 68 (4) ◽  
pp. 1008-1015
Author(s):  
Yong Yuan ◽  
Xi-Kun Lu ◽  
Gao-Qi Zhou ◽  
Xiao-Yang Qiu
Keyword(s):  
Antimicrobial Activity ◽  
Schiff Base ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Structure Determination ◽  
Antimicrobial Activities ◽  
X Ray ◽  
Zwitterionic Form ◽  
Square Planar ◽  
Vis Spectroscopy

Three new copper(II) complexes, [Cu(LH)2]Br2 (1), [Cu(LH)2]NCS2 (2), and [Cu(LH)2](NO3)2 (3), where LH is the zwitterionic form of 2-bromo-6-((2-(isopropylamino)ethylimino)methyl)phenol (HL), were synthesized and characterized by elemental analysis, IR and UV-vis spectroscopy. The structures of the complexes were further confirmed by single crystal X-ray structure determination. All compounds are mononuclear copper(II) complexes. The Cu atoms in the complexes are coordinated by two imino N and two phenolate O atoms from two LH ligands, forming square planar coordination. The compounds were assayed for their antimicrobial activities.

Crystal Structure of (NH4)2[Mo3S(S2)6] Containing the Novel Isolated Cluster [MO3S13]2-

1979 ◽  
Vol 34 (3) ◽  
pp. 434-436 ◽  
Author(s):  
A. Müller ◽  
S. Pohl ◽  
M. Dartmann ◽  
J. P. Cohen ◽  
J. M. Bennett ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aqueous Solutions ◽  
Single Crystal ◽  
Ammonium Salt ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Mean Values ◽  
X Ray

Abstract The novel tri-nuclear metal-sulfur cluster [Mo3S(S2)6]2- can be obtained as its ammonium salt by the reaction of a Moiv containing aqueous solutions with polysulfide. Its crystal and molecular structure has been determined by a single crystal X-ray study. The crystals are monoclinic (space group Cm, with a = 11.577(6) Å, b = 16.448(7) Å, c = 5.716(2) Å, β = 117.30(3)°, V = 967.2 Å3 , Z = 2, dexptl. = 2.54(2) g/cm3 , dcal = 2.54 g/cm3). The structure consists of isolated [Mo3S(S2)6]2- units, with three Mo atoms at the vertices of a triangle. There are bridging as well as terminal S22--ligands lying above and below the Mo3-plane (bond distances: Mo-Mo = 2.722 Å, Mo-S(terminal) = 2.435, Mo-S(bridging) = 2.452, Mo3-S = 2.353(4) Å and S-S = 2.04 Å (mean values)).

Bimetallic DppfM(II) (M = Pt and Pd) dithiocarbamate complexes: Synthesis, characterization, and anticancer activity

2019 ◽  
Vol 43 (9-10) ◽  
pp. 437-442 ◽  
Author(s):  
Shou De Xu ◽  
Xiang Hua Wu
Keyword(s):  
Antitumor Activity ◽  
Platinum Complex ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
Antitumor Activities ◽  
High Potency ◽  
Promising Candidate ◽  
X Ray ◽  
Mtt Assays

A series of bimetallic dppfM(II) (dppf = 1,1’-bis (diphenyphosphino) ferrocene; M = Pt and Pd) dithiocarbamate complexes is synthesized and characterized by spectroscopic methods and single-crystal X-ray diffraction. Their antitumor activities in vitro are investigated by MTT assays against four cancer cell lines. The anticancer studies indicate most of the complexes display good to excellent antitumor activity. Remarkably, the platinum complex with a pyrrolidinyl substituent (3b) was identified as the most promising candidate due to its high potency and broad spectrum of activity.

1,3-Dipolar Cycloadditions of a Chiral Oxazolidinone With Nitrones and Nitrile Oxides

1995 ◽  
Vol 48 (9) ◽  
pp. 1511 ◽  
Author(s):  
SG Pyne ◽  
J Safaei-G ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Hydrogen Atmosphere ◽  
Dipolar Cycloaddition ◽  
Cycloaddition Reactions ◽  
The Novel ◽  
X Ray ◽  
Dipolar Cycloadditions ◽  
Nitrile Oxides ◽  
Exocyclic Methylene

The 1,3-dipolar cycloaddition reactions of the chiral oxazolidinone (1) and nitrones are highly regioselective and only 5,5-disubstituted isoxazolidine adducts are formed. These reactions occur under equilibrating conditions to give the more stable adducts that result from addition to the exocyclic methylene of (1) from the sterically more hindered π-face. The endo adducts are generally thermodynamically favoured. In one case the novel azetidine (21) was formed from the treatment of the adduct (4a) with palladium hydroxide on carbon under a hydrogen atmosphere. The major adducts from the reaction of (1) and nitrile oxides (16a,b) had the expected stereochemistry, addition of the 1,3-dipole having occurred from the less hindered π-face of the exocyclic methylene of (1). The stereochemistry of many of these products has been elucidated by single-crystal X-ray structural determinations.

Kristallstruktur und Schwingungsspektren von Li5CrCl8 / Crystal Structure and Vibrational Spectra of Li5CrCl8

1992 ◽  
Vol 47 (12) ◽  
pp. 1687-1692 ◽  
Author(s):  
Heinz Dieter Lutz ◽  
Peter Kuske ◽  
Arno Pfitzner ◽  
Hermann-Josef Steiner
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Structure Type ◽  
The Novel ◽  
X Ray ◽  
Symmetry Coordinates ◽  
Unknown Structure ◽  
Ir And Raman

The crystal structure of the novel pink Li5CrCl8 oC28 has been determined by both single crystal X-ray and neutron powder studies. The title compound crystallizes in a hitherto unknown structure type (space group C mmm, Z = 2). The final R values are R = 3.4% (715 independent reflections with I > 3aI) and Rwp = 11.5%, respectively (a = 1019.79(3), b = 723.94(2) and c = 726.16(3) pm). The structure consists of edge-connected Li(l)Cl6 and alternating edge-connected Li(2)Cl6 and CrCl6 octahedra, respectively. It is related to the NaCl super structure SnMn2S4 type. IR and Raman spectra as well as symmetry coordinates are given and discussed in terms of CrCl6 and LiCl6 breathing modes.

Reaktion von [Co(But2PH)2I2] mit [Ru3(CO)12]: Synthese und Röntgenkristallstrukturanalyse von [Ru3(CO)6(μ-H)(μ-I)2(μ-PBut2)(But2PH)]/ Reaction of [Co(But2PH)2I2] with [Ru3(CO)12]: Synthesis and X-Ray Crystal Structure of [Ru3(CO)6(μ-H)(μ-I)2(μ-PBut2)(But2PH)]

1998 ◽  
Vol 53 (8) ◽  
pp. 865-870 ◽  
Author(s):  
Marion Graf ◽  
Kurt Merzweiler ◽  
Clemens Bruhn ◽  
Hans-Christian Böttcher
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Cluster Expansion ◽  
Metal Clusters ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Space Group ◽  
X Ray ◽  
Iodine Transfer

Abstract [Co(But2PH)2I2] (1) reacts with [Ru3(CO)12] in refluxing toluene to give a mixture of products including the novel metal clusters [Ru3(CO)6(μ-H)(μ-I)2(μ-PBut2)(But2PH)] (2) and [Ru3(CO)7(μ-H)(μ-I)(μ-PBut2)2] (3) besides the known complex [Ru3(CO)8(μ-H)2(μ3- PBut)(But2PH)] (4). No cluster expansion products could be observed. Thus the cobalt compound acts merely as a phosphine and iodine transfer reagent. The molecular structures of the metal complexes 1 and 2 were determined by single-crystal X-ray structure analyses. 1 crystallizes in the tetragonal space group P4̄21c with a = 13.230(3), b = 13.230(3), c = 14.788(3)Å, V = 2588.4(9)A . 2 crystallizes in the monoclinic space group P21/c with a = 18.161(2), b = 10.292(2), c = 18.381(2)Å, β = 108.73(10)°, V= 3253.7(8)Å3.

scholarly journals Microwave Assisted Synthesis of Novel Imidazolopyridinyl Indoles as Potent Antioxidant and Antimicrobial Agents

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Jaiprakash S. Biradar ◽  
Parveen Rajesab ◽  
Sasidhar B. Somappa
Keyword(s):  
Antimicrobial Agents ◽  
Analytical Data ◽  
Antimicrobial Activities ◽  
Microwave Assisted Synthesis ◽  
The Novel ◽  
Design Synthesis ◽  
Mass Spectral ◽  
H Nmr ◽  
Total Antioxidant ◽  
Indole Analogues

We describe herein the design, synthesis, and pharmacological evaluation of novel series of imidazolopyridinyl indole analogues as potent antioxidants and antimicrobials. These novel compounds (3a–i) were synthesized by reacting 3,5-disubstituted-indole-2-carboxylic acid (1a–i) with 2,3-diamino pyridine (2) in excellent yield. The novel products were confirmed by their IR,1H NMR,13C NMR, mass spectral, and analytical data. These compounds were screened for their antioxidant and antimicrobial activities. Among the compounds tested,3a–dshowed the highest total antioxidant capacity, scavenging, and antimicrobial activities. Compounds3c-dand3g-hhave shown excellent ferric reducing activity.

Studies in the Cycloproparene Series: Formation of a New Dimer of 1H-Cyclopropa[b]naphthalene

1999 ◽  
Vol 52 (4) ◽  
pp. 285 ◽  
Author(s):  
Brian Halton ◽  
Carissa S. Jones ◽  
Peter T. Northcote ◽  
Roland Boese
Keyword(s):  
Single Crystal ◽  
Spectroscopic Data ◽  
Size Exclusion ◽  
The Novel ◽  
Methyl Derivative ◽  
X Ray ◽  
Pure Compounds

1-(Trimethylsilyl)-1H-cyclopropa[b]naphthalene (10) and its 1-methyl derivative (11) have been isolated as pure compounds from use of a lipophilic size exclusion gel. Acylation of the 1H-cyclopropa[b]naphthalenyl anion (2) is effected with N,N -dimethyl-benzamide and -acetamide to give (5) and (6), respectively. Analogous reactions with the 1-(trimethylsilyl)-1H-cyclopropa[b]naphthalenyl anion (9) do not yield the 1-acyl-1-(trimethylsilyl)-1H-cyclopropa[b]naphthalenes (12) and (13); instead the novel 6-methyl- 7H-dibenzo[b,g]fluorene (15) results from attempted acetylation. Compound (15), a formal dimer of 1H-cyclopropa[b]naphthalene (1), is formed also from anion (9) both in toluene and from addition of hydrocarbon (1); its structure is assigned from spectroscopic data and confirmed by single-crystal X-ray analysis.

Biogenic Synthesis of Gold Nanoparticles and Their Antimicrobial Activities

2020 ◽  
pp. 216-233
Author(s):  
Snežana Radisavljević ◽  
Biljana Petrović
Keyword(s):  
Drug Delivery ◽  
Gold Nanoparticles ◽  
Antibacterial Activity ◽  
Biomedical Applications ◽  
Food Packaging ◽  
Pathogenic Bacteria ◽  
Antimicrobial Agents ◽  
Bactericidal Effect ◽  
Antimicrobial Activities ◽  
Physiochemical Properties

Gold nanoparticles (AuNPs) are widely used in biomedical applications, especially diagnostic and drug delivery. The antibacterial activity of nanoparticles depends on the dimensions of the particles. AuNPs may associate with the surface of the cell membrane and cause disorder such as respiration and permeability. The method of binding of particles for bacteria depends on their surface available for interaction. Smaller particles which have the larger surface area available for interaction will show better bactericidal effect than the larger particles. Useful antibacterial agents should also be toxic to various pathogenic bacteria with the ability to coat different surfaces like biomaterials, devices, textiles, food packaging, and so on. The biological and physiochemical properties of synthesized AuNPs have impact on the use of gold nanoparticles like antimicrobial agents, especially for water purification, as well as other biomedical applications.

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