Molecular abbreviations

Molecular Abbreviations FFeth =1,2 difluoroethane Fprop = 1-fluoropropane 3Fbut = 3-fluoro-l-butyne 3FFbut = 3,3-difluoro-l-butyne. 

Molecular Abbreviations FFeth = 1,2 difluoroethane 3Fprop 3,3-difluoro-l -butyne. 

CODE = six-letter abbreviated name MOL WT = molecular weight... 

The abbreviation QSAR stands for quantitative structure-activity relationships. QSPR means quantitative structure-property relationships. As the properties of an organic compound usually cannot be predicted directly from its molecular structure, an indirect approach Is used to overcome this problem. In the first step numerical descriptors encoding information about the molecular structure are calculated for a set of compounds. Secondly, statistical methods and artificial neural network models are used to predict the property or activity of interest, based on these descriptors or a suitable subset. A typical QSAR/QSPR study comprises the following steps structure entry or start from an existing structure database), descriptor calculation, descriptor selection, model building, model validation. 

Our reviewer felt the molecule builder was easy to use. It is set up for organic molecules. Specialized building modes are available for peptides, nucleotides, and carbohydrates. It is also possible to impose constraints on the molecular geometry. Functions are accessed via a separate window with buttons labeled with abbreviated names. This layout is convenient to use, but not completely self-explanatory. The program is capable of good-quality rendering. At the time of this book s publication, a new three-dimensional graphic user interface called Maestro was under development. 

There has been some interest in random eopolymers of styrene with small amounts of maleie anhydride. Manufaeturers ineluded Monsanto (Cadon), Dow (Resin XP5272) and Dainippon (Ryurex X-15). However, the only current manufacturer of high molecular weight materials appears to be Arco, which markets its products under the trade name Dylarc. The abbreviation SMA is commonly used for these materials. 

We can also mark the rest of the molecule s boundary by finding all of the other points where the molecule s electron density has the same critical value. When all of these boundary points are joined together they form a surface that looks like the molecule s outer skin , and we can use the volume inside this surface to define molecular size. This approach is used throughout this book, but to simplify things we will abbreviate outer skin electron density surface to just electron density surface . 

Abbreviations Aik, alkyl AN, acetonitrile Ar, aryl Bu, butyl cod, 1,5-cyclooctadiene Cp, cy-clopentadienyl Cp , pentamethylcyclopentadienyl Cy, cyclohexyl dppm, diphenylphosphinome-thane dpme, Ph2PC2H4PMe2 Et, ethyl fod, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octane-dionate HOMO, highest occupied molecular orbital LUMO, lowest unoccupied molecular orbital Me, methyl MO, molecular orbital nbd, norbornadiene Nuc, nucleophile OTf, triflate Ph, phenyl Pr, propyl py, pyridine THE, tetrahydrofuran TMEDA V,V,M,M-tetramethylethylenediamine. 

Direct hydroxylation of an aromatic ring to yield a hydroxybenzene (a phenol) is difficult and rarely done in the laboratory., but occurs much more frequently in biological pathways. An example is the hydroxylation of p-hydroxyphenyl acetate to give 3,4-dihydroxyphenyl acetate. The reaction is catalyzed by p-hydroxyphenylacctate-3-hydroxylase and requires molecular oxygen plus the coenzyme reduced flavin adenine dinucleotide, abbreviated FADH2. 

Name Abbreviation Molecular Plasma concentration Plasma concentration... 

Abbreviated forms of the octane molecular representations include the following ... 

AR- abbreviation Structural formula Molecular weight Producer... 

The rapid advances In electronic structure applications are causing the field to be discussed under many new names, such as computer-aided molecular design or computer-aided materials design (both abbreviated CAMD as a rather obvious variation on CAD/CAM). One especially promising subfield concerns the design of bloactlve molecular agents (computer-aided macromolecular design). 

Many books abbreviate the hydronium ion as H (a g) or just H. We prefer H3 O because it serves as a reminder of the molecular structure of the hydronium ion and of the proton-transfer nature of acid-base reactions. 

Abbreviations PUAC, polyuronic acid content DE, concentration ri, specific viscosity Mj, molecular mass... 

FIGURE 9.4 TLC-blotting/SIMS of various glycosphingolipids. (A) TLC profile of the separated glycosphingolipids, (B) MS profiles obtained by TLC-blotting/SIMS (a) spectrum of sulfatide peaks at m/z 862, 876, 890, 906, and 918 are molecular ions with different fatty acid species indicated in the figure (asterisks are peaks of triethanolamine as matrix) (b) spectrum of Gb Cer peaks at m/z 1309 and 1337 are molecular ions with different fatty acid species as indicated (c) spectrum of G peaks at m/z 1151, 1235, and 1263 are molecular ions with different fatty acid species as shown. Abbreviations LCB — long chain base, FA — fatty acid, hFA — hydroxyfatty acid. Hex — hexose, HexNAc — /V-acetylhexosamine. (From Taki, T. et al.. Anal. Biochem., 225, 24—27, 1995. With permission.) Continued. 

R. W. Erskine and B. 0. Field Abbreviations acacen = N,N -ethylene bis MO = Molecular orbital ... 

Zink et al. used a blend of polystyrene (hPS) and its deuterated counterpart (dPS), both of molecular weight 1.95 x 106 (abbreviated 1.95 M). The average volume fraction (4>dPS) of deuterated polystyrene was 30%. The polymers were dissolved in toluene and spin cast on thin silicon wafers (about 10 x 10 mm), the resulting film thickness being about 300 nm. The samples were annealed at 245°C for 8 days, and the measurement of the resulting depth profiles was conducted by NRA using a monoenergetic 700 keV 3He beam. The nuclear reaction employed can be written ... 

High density polyethylene, shown in Fig. 18.2 a), consists primarily of linear hydrocarbon chains of the type shown in Fig. 18.1. We commonly abbreviate its name to HDPE. As with all other polymers, high density polyethylenes contain a distribution of molecular weights. The molecules have few, if any, branches. 

Organic polymers claimed to be effective swelling clay and mineral fine particle stabilizers in the patent literature can be divided into four classes. The polymers of class 1 have the quaternary nitrogen atom as part of the polymer backbone (6-10). Polymers in this class include poly(dimethylamine-co-epichlorohy-drin, abbreviated poly(DMA-co-EPl), and poly(N,N,N, N,-tetramethyl-l,4-l,4-diaminobutane-co-l,4-dichlorobutane), abbreviated poly (TMDAB-co- DCB). These low molecular weights are not surprising since these are condensation polymers. Molecular weights cited range from 800 to 800,000 daltons. 

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