3 conditions crystallization

The PDB contains 20 254 experimentally determined 3D structures (November, 2002) of macromolecules (nucleic adds, proteins, and viruses). In addition, it contains data on complexes of proteins with small-molecule ligands. Besides information on the structure, e.g., sequence details (primary and secondary structure information, etc.), atomic coordinates, crystallization conditions, structure factors. 

Crystallization conditions such as temperature, solvent, and concentration can influence crystal form. One such modification is the truncation of the points at either end of the long diagonal of the diamond-shaped crystals seen in Fig. 4.11b. Twinning and dendritic growth are other examples of such changes of habit. 

Twisting of the lamellar ribbons along the radial direction is responsible for the banding superimposed on the Maltese cross in Fig. 4.12. From the spacing of the bands, the period of the twist can be calculated and is found to depend on crystallization conditions. 

A typical flow diagram for pentaerythritol production is shown in Figure 2. The main concern in mixing is to avoid loss of temperature control in this exothermic reaction, which can lead to excessive by-product formation and/or reduced yields of pentaerythritol (55,58,59). The reaction time depends on the reaction temperature and may vary from about 0.5 to 4 h at final temperatures of about 65 and 35°C, respectively. The reactor product, neutralized with acetic or formic acid, is then stripped of excess formaldehyde and water to produce a highly concentrated solution of pentaerythritol reaction products. This is then cooled under carefully controlled crystallization conditions so that the crystals can be readily separated from the Hquors by subsequent filtration. 

The obtainment of a particular polymorph, under given crystallization conditions, corresponds in most cases to the one which is thermodynamically more stable. In some cases, however, (when more than one minimum of free energy is available) the form which is obained is simply that one produced more rapidly (indicated as kinetically favored). 

The oxygen atoms of the homo cyclic oxides occupy axial positions in solid S7O and SsO. In fact, recent ab initio MO calculations at the G3X(MP2) level of theory have demonstrated that these isomers are, by 7 and 9 kj mol respectively, more stable than the alternative structures with the oxygen atoms in equatorial positions [89]. In the case of SsO, however, the energy difference is only 1 kJ mol and the conformation with the oxygen atom in the equatorial position is more stable. This result agrees with the observation that SsO exists as two isomeric forms in the solid state depending on the crystallization conditions (see above). 

Which polymorphic form of a compound is formed depends on the preparation and crystallization conditions method of synthesis, temperature, pressure, kind of solvent, cooling or heating rate, crystallization from solution, fusion or gas phase, and presence of seed crystals are some of the factors of influence. 

Nylons are semicrystalline polymers whose properties are controlled primarily by their amide concentration, molecular orientation, crystallization conditions, and the level of absorbed water. As discussed earlier, the level of crystallinity and hence product stiffness, is maximized by high concentrations of amide groups, high orientation, slow cooling, and the absence of absorbed water. 

Crystallization in polymers has long been one of the most difficult problems in polymer science. It was to our great surprise that the computer simulations proved very useful in studying this historical problem, if we properly devised the molecular models and the crystallization conditions. But I am aware that there are many problems in the present simulation. Major criticisms will be why the crystallization is so fast, what kind of relevance the present model has to real polymer systems, and how we can bridge the space and time gaps between the present model and real polymers. 

IV [79] which present respectively chains in trans-planar and in a non-helical (T6G2T2G2)n conformation. In form I (see Table 2), i.e., the stable form of sPP obtained under most crystallization conditions, the chains are packed with an alternation of right-handed and left-handed helices. On the contrary, in the somewhat less stable form II [80], all the helical chains share the same chirality. 

We can conclude this section noting that understanding chiral crystallization of helical polymers is still hardly satisfactory, but quite certainly different mechanisms are likely to apply for different polymers and different crystallization conditions. A lot of experimental work still needs to be carried out if we want to progress beyond speculation and generalization of results that may in fact apply only to very specific instances. 

Crystallization conditions can often be manipulated to favor the nucleation of alternate crystal forms. A metastable polymorph of metformin hydrochloride has been isolated using capillary crystallization techniques, and subsequently studied using thermal microscopy [24]. Calculations based on classical nucleation theory indicated that a metastable form could be obtained using high degrees of... 

Abstract Amino acids are the basic building blocks in the chemistry of life. This chapter describes the controllable assembly, structures and properties of lathanide(III)-transition metal-amino acid clusters developed recently by our group. The effects on the assembly of several factors of influence, such as presence of a secondary ligand, lanthanides, crystallization conditions, the ratio of metal ions to amino acids, and transition metal ions have been expounded. The dynamic balance of metalloligands and the substitution of weak coordination bonds account for the occurrence of diverse structures in this series of compounds. 

Except for the factors mentioned above, such as the reactant ratio employed, variation of lanthanide and transition metal, crystallization conditions, and the presence of a secondary ligand, there are several other factors that can affect the controllable assembly of the lanthanide-transition metal-amino acid cluster compounds. 

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