Figure 1
Chemical structures of Diamondoids: the chemical structures of Adamantane (left) and Diamantane (right) are shown in the upper part of the picture. Structures of Triamantane (left) and the Anti-isomer of Tetramantane (right) are represented in the bottom.
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Diamondoids are cage-like saturated hydrocarbons consisting of fused cyclohexane rings. The Diamondoids family of compounds is one of the best candidates for molecular building blocks (MBBs) in nanotechnology to construct organic nanostructures compared to other MBBs known so far. The challenge is to find a route for self-assembly of these cage hyd...
Context in source publication
Context 1
... is the first compound of the Diamondoids family with n=1. The other members are Diamantane for n=2, Triamantane for n=3, Tetramantane for n=4 and so on ( Figure 1). Diamondoid are divided into two major groups accounting their size: lower Diamondoids which include the first three members of Diamondoids and higher Diamondoids containing Tetramantane and other larger family members [1]. ...
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Citations
... Diamondoid derivatives have found many applications in biomedicine (Mansoori et al., 2012a) including as drugs to slow down the progression of Alzheimer's disease ( Mansoori, 2008, 2011). Nanomaterials and materials science is another branch of applications of diamondoids and derivates and that includes diamondoids-DNA nanostructures (Ramezani et al., 2007aRamezani et al., , 2007b), the role of diamondoids in crystal engineering (Mansoori, 2007); and their opto-electronic properties and applications in MEMS and NEMS (Xue and Mansoori, 2008; Marsusi et al., 2009). These new developments in applications of diamondoids are partly due to their stiff and symmetric structures and advances in understanding of their physics and chemistry (Zhang et al., 2007; Mansoori, 2007; Mansoori, 2010a, 2010b; Mansoori et al., 2012b). ...
In this review paper, we report the molecular structure, origin, natural occurrence and variety of diamondoid hydrocarbons in petroleum fluids and other fossil fuels. In addition, we present the role of diamondoids as geochemical tools for petroleum characterisation, ways diamondoid molecules are used to play an important role in petroleum evaluation, and may be used to assess origin, extend of biodegradation and thermal maturity, as well as to identify the occurrence of petroleum. The diamondoid-based diagnostic ratios in environment science as well as diamondoid-based diagnostic ratios for petroleum maturity parameters are also presented and discussed. Such diamondoid-based parameters may be used to assess oil source, maturity and biodegradability, providing supporting information, especially when traditional evaluation data are not available or are difficult to interpret. We also report applications and problems associated with diamondoids in petroleum exploration and production. That is the role of diamondoids in petroleum and natural gas production fouling as well as separation, detection and measurements of petroleum diamondoids. We realise that the presence of diamondoids in petroleum has become much more than a chemical curiosity since it has advanced to be a resourceful instrument in petroleum science, biomedicine, materials science and an important family of molecular building blocks in nanotechnology. [Received: August 9, 2011; Accepted: November 23, 2011]
... Diamondoid derivatives have found many applications in biomedicine (Mansoori et al., 2012a) including as drugs to slow down the progression of Alzheimer's disease ( Mansoori, 2008, 2011). Nanomaterials and materials science is another branch of applications of diamondoids and derivates and that includes diamondoids-DNA nanostructures (Ramezani et al., 2007aRamezani et al., , 2007b), the role of diamondoids in crystal engineering (Mansoori, 2007); and their opto-electronic properties and applications in MEMS and NEMS (Xue and Mansoori, 2008; Marsusi et al., 2009). These new developments in applications of diamondoids are partly due to their stiff and symmetric structures and advances in understanding of their physics and chemistry (Zhang et al., 2007; Mansoori, 2007; Mansoori, 2010a, 2010b; Mansoori et al., 2012b). ...
In this review paper, we report the molecular structure, origin,
natural occurrence and variety of diamondoid hydrocarbons in petroleum fluids
and other fossil fuels. In addition, we present the role of diamondoids as
geochemical tools for petroleum characterisation, ways diamondoid molecules
are used to play an important role in petroleum evaluation, and may be used to
assess origin, extend of biodegradation and thermal maturity, as well as to
identify the occurrence of petroleum. The diamondoid-based diagnostic ratios
in environment science as well as diamondoid-based diagnostic ratios for
petroleum maturity parameters are also presented and discussed. Such
diamondoid-based parameters may be used to assess oil source, maturity and
biodegradability, providing supporting information, especially when traditional
evaluation data are not available or are difficult to interpret. We also report
applications and problems associated with diamondoids in petroleum
exploration and production. That is the role of diamondoids in petroleum
and natural gas production fouling as well as separation, detection and
measurements of petroleum diamondoids. We realise that the presence of
diamondoids in petroleum has become much more than a chemical curiosity
since it has advanced to be a resourceful instrument in petroleum science,
biomedicine, materials science and an important family of molecular building
blocks in nanotechnology.
... Diamondoid derivatives have found many applications in biomedicine (Mansoori et al., 2012a) including as drugs to slow down the progression of Alzheimer's disease ( Mansoori, 2008, 2011). Nanomaterials and materials science is another branch of applications of diamondoids and derivates and that includes diamondoids-DNA nanostructures (Ramezani et al., 2007aRamezani et al., , 2007b), the role of diamondoids in crystal engineering (Mansoori, 2007); and their opto-electronic properties and applications in MEMS and NEMS (Xue and Mansoori, 2008; Marsusi et al., 2009). These new developments in applications of diamondoids are partly due to their stiff and symmetric structures and advances in understanding of their physics and chemistry (Zhang et al., 2007; Mansoori, 2007; Mansoori, 2010a, 2010b; Mansoori et al., 2012b). ...
In this review paper, we report the molecular structure, origin,
natural occurrence and variety of diamondoid hydrocarbons in petroleum fluids
and other fossil fuels. In addition, we present the role of diamondoids as
geochemical tools for petroleum characterisation, ways diamondoid molecules
are used to play an important role in petroleum evaluation, and may be used to
assess origin, extend of biodegradation and thermal maturity, as well as to
identify the occurrence of petroleum. The diamondoid-based diagnostic ratios
in environment science as well as diamondoid-based diagnostic ratios for
petroleum maturity parameters are also presented and discussed. Such
diamondoid-based parameters may be used to assess oil source, maturity and
biodegradability, providing supporting information, especially when traditional
evaluation data are not available or are difficult to interpret. We also report
applications and problems associated with diamondoids in petroleum
exploration and production. That is the role of diamondoids in petroleum
and natural gas production fouling as well as separation, detection and
measurements of petroleum diamondoids. We realise that the presence of
diamondoids in petroleum has become much more than a chemical curiosity
since it has advanced to be a resourceful instrument in petroleum science,
biomedicine, materials science and an important family of molecular building
blocks in nanotechnology. [Received: August 9, 2011; Accepted: November
23, 2011]
Applying ab initio calculation and molecular dynamics simulation methods, we have been calculating and predicting the essential self-assemblies and phase transitions of two lower diamondoids (adamantane and diamantane), three of their important derivatives (amantadine, memantine and rimantadine), and two organometallic molecules that are built by substituting one hydrogen ion with one sodium ion in both adamantane and diamantine molecules (ADM • Na and Optimized DIM • Na). To study their self-assembly and phase transition behaviors, we built seven different MD simulation systems, and each system consisting of 125 molecules. We obtained self-assembly structures and simulation trajectories for the seven molecules. Radial distribution function studies showed clear phase transitions for the seven molecules. Higher aggregation temperatures were observed for diamondoid derivatives. We also studied the density dependence of the phase transition which demonstrates that the higher the density-the higher the phase transition points.
Diamondoids are a peculiar class of organic molecules with unique structures and properties. Diamondoid molecules (AKA polymantanes, adamantologs) are cage-like, ultra stable, saturated hydrocarbons. The basic repetitive unit of diamondoids is a ten-carbon tetracyclic cage system called "adamantane" (Figure 1a). Adamantane consists of cyclohexane rings in 'chair' conformation. These molecules are called "diamondoids" because their carbon-carbon framework is completely, or largely, superimposable on the diamond lattice (Figure 2). Diamondoids show unique properties due to their exceptional atomic arrangements. The discovery of adamantane cage in 1933 [1] and its direct synthesis in 1957 [2] has turned this diamondoid and its derivatives into readily available compounds with numerous applications. Since 1960, the interest in practical applications of diamondoid molecules has steadily increased [3]. Diamondoids are presently molecular building blocks for biomedicine, materials science and nanotechnology that enable the design and manufacturing of nanometer-scale structures programmed to have virtually any desired shape and properties [4-6]. Diamondoids were first discovered in petroleum [1] and since there has been limited progress in synthesizing them there have been continuous efforts in exploring them in petroleum and other fossil fuels [7-10]. The presence of diamondoids in fossil fuels has become much more than a chemical curiosity and has advanced to be a resourceful instrument in biomedicine, materials science, and nanotechnology [6]. It has also been of major interest to discover the tremendous ways of derivativizing these molecules to do wonders in biomedicine, materials science and in the emerging field of nanotechnology [4-6]. The presence of chirality is an important feature in many diamondoids. The vast number of structural isomers and stereoisomers is another property of diamondoids. For instance, octamantane possesses hundreds of isomers in five molecular weight classes. The octamantane class with
We report self-assembly and phase transition behavior of lower diamondoid molecules and their primary derivatives using molecular dynamics (MD) simulation and density functional theory (DFT) calculations. Two lower diamondoids (adamantane and diamantane), three adamantane derivatives (amantadine, memantine and rimantadine) and two artificial molecules (ADM•Na and DIM•Na) are studied separately in 125-molecule simulation systems. We performed DFT calculations to optimize their molecular geometries and obtained atomic electronic charges for the corresponding MD simulation, by which we predicted self-assembly structures and simulation trajectories for the seven different diamondoids and derivatives. Our radial distribution function and structure factor studies showed clear phase transitions and self-assemblies for the seven diamondoids and derivatives.