In academia

Chetnoinformatics has matured to a sdentific discipline that will change - and in some cases has already changed - the way in which we perceive chemistry. The chemical and, in particular, the pharmaceutical industry are in high need of che-moinformatics specialists. Thus, this field has to be taught in academia, both in specialized courses on chemoinformatics and by integrating chemoinformatics into regular chemistry curricula. 

It is our hope that this book, besides being of interest to chemists in academia and industry who require an introduction to the field, an update, or a part of a coherent review to the field of metal-catalyzed cycloaddition reactions, will also be found stimulating by undergraduate and graduate students. 

Ionic liquid synthesis in a commercial context is in many respects quite different from academic ionic liquid preparation. While, in the commercial scenario, labor-intensive steps add significantly to the price of the product (which, next to quality, is another important criterion for the customer), they can easily be justified in academia to obtain a purer material. In a commercial environment, the desire for absolute quality of the product and the need for a reasonable price have to be reconciled. This is not new, of course. If one looks into the very similar business of phase-transfer catalysts or other ionic modifiers (such as commercially available ammonium salts), one rarely finds absolutely pure materials. Sometimes the active ionic compound is only present in about 85 % purity. However, and this is a crucial point, the product is well specified, the nature of the impurities is known, and the quality of the material is absolutely reproducible from batch to batch. 

The aspects of medium engineering summarized so far were a hot topic in biocatalysis research during the 1980s and 1990s [5]. Nowadays, all of them constitute a well-established methodology that is successfully employed by chemists in synthetic applications, both in academia and industry. In turn, the main research interests of medium engineering have moved toward the use of ionic liquids as reaction media and the employment of additives. 

It is characteristic of U S. labor markets for scientific and engineering persormel to experience severe shortages and overcompensating excesses. Now is the time for the federal government and tmiversities to build a research and education base in academia that can respond flexibly and efficiently to the persormel demands that will inevitably come. Now is the time to prepare a cadre of chemical engineers who will interact as easily and successfully with life scientists as chemical engineers cmrently do with chemists and physicists. 

The use of sol-gel techniques to prepare ceramic powders has recently attracted much interest in academia and industry. Sol-gel techniques involve dissolving a ceramic precursor (e g., tetramethyl orthosilicate) in a solvent and... 

Better models can replace laboratory or field tests that are difficult or costly to perform or identity cracial experiments that should be carried out. In either case, they will significantly enhance the scope and productivity of chenucal engineering researchers in academia and industry. 

A variety of support mechanisms for carrying out such research could be envisioned that would include sponsorship of individttal research projects in academia or federal laboratories, where appropriate a DOE eqrrivalent of the NSF Engineering Research Centers, but with more cooperative involvement from industry and stimrrlation by DOE of industrial cortsortia both to carry out joint research among companies on nonproprietary topics and to support relevant research in academia. The... 

The above-mentioned AFM capabilities wUl enhance characterization of soft materials at the nanometer scale and will make this method invaluable for researchers working in academia and industry. 

Keeping up with the advances in modern heterocyclic chemistry is essential for many of our colleagues in academia and industry. It is the aim of this series on Stereoselective Heterocyclic Synthesis to assist the chemical community in this respect by presenting a selection of exciting recent developments. As it was for the first two volumes (1997), the stereoselective synthesis of - or with the aid of - heterocycles is the common motif for all the chapters in this third volume. 

As shown in Table 2.1, the improved catalytic performance of alkaline-treated zeolites compared to the parent purely microporous counterparts has been demonstrated decidedly by different groups active in academia and in industry. The positive effect is reflected in the enhanced activity, selectivity, and/or lifetime (coking resistance) of the hierarchical systems. The examples listed embrace not only a variety of zeohte topologies (MFl, MOR, MTW, BEA, and AST) but also reactions involving hghter hydrocarbons as well as bulky molecules. This illustrates the potential of the desihcation treatment, although more work is to be done in optimizing the catalytic system for the wide variety of applications. 

Many or most of the results from data mining in industry went unpublished. More recently, when a few academic researchers gained access to data mining software, the weakly active compounds they found were excitedly published. This difference between industry and academia in handling similar kinds of results is a matter of priorities. In industry, the hrst priority is to hnd marketable products and get them out the door. In academia, the priority is to publish (especially in high-impact journals). Contrary to a common misconception, scientists in industry do publish, a point we return to below. 

Simulation is best described as the process of translating a real system into a working model in order to run experiments. A simulation does not duplicate a system rather it is an abstraction of reality using mathematics to express cause-and-effect relationships that determine the behavior of the system. Hence the representation displayed on a computer may not always be pictori-ally similar to the real system, and, if it is, then it must be regarded as an added bonus. Software for computer simulation is often customized and based on that developed in academia. There are not many commercial packages available for pharmaceutical formulation. 

The organic chemists in academia stiU stick to their flask glassware. Here, certainly, some time is needed and education has to be provided. Micro-chemical engineering, as the name indicates, stiU remains a domain of the engineering society. Nonetheless, the fine-chemical companies have accepted micro reactors the push wiU come from the industry side. 

Transition metal catalysed cross-coupling reactions of organometalUc reagents containing Zn, Si, Mg, Sn or B with organic electrophiles in the presence of group 8-10 metals, notably Ni and Pd, are routinely the method of choice, both in academia and industry, for the preparation of C-0, C-S, C-H, C-N and C-C bonds [1]. 

The research chemist both in academia and in industry profits from the application of metrics such as mass index (equation (5.1)), environmental factor (equation (5.2)) and cost index (equation (5.3)). Therefore, one purpose of this chapter is to demonstrate how to apply such metrics and what kind of information can be obtained from them. Some of their potential application areas are indicated in Box 5.1. 

The CHETAH programme is one of many and varied semiquantitative approaches to the estimation of risk. These approaches have proiiferated in recent years in academia, commerce, industry and reguiatory circies. One of the advantages of CHETAH is that it avoids some of the compiexities and uncertainties of more compiex models. 

Research on the identification of vanilloid antagonists has been pursued more intensively in industry than in academia. Thus, a SciFinder search for new chemical entities endowed with this type of activity pulled out 34 entries from the proprietary literature, and only 14 from journal articles during the period January 2004 June 2006. The patent literature can be difficult to evaluate and compare with the published data. Bioactivity is often not disclosed (or commented), and activity can be broadly claimed for a series of lead structures without specifying their optimal substitution. On the other hand, analysis of the patent literature does not only complement the published data, but also offers a preview of information that will be eventually disclosed and detailed in journals. Given the relevance of proprietary literature in the realm of vanilloids research, the main trends emerging from its analysis will be briefly summarized. 

Ideal as an accessible reference and guide to investigations at the interface of chemistry with subjects such as materials science, engineering, biology, physics and electronics for professionals and researchers in academia and industry. 

With his team organized, Haber began looking at the problem in its simplest form—at normal atmospheric pressure. After publishing some preliminary results, Haber met Walther Nernst at a scientific conference in Hamburg. Nernst, who was only four years older than Haber, had a pugnacious personality that made him quarrel with almost everyone in academia. Worried that Haber s work cast doubt on the validity of his new law of thermodynamics, Nernst publicly ridiculed Haber s highly erroneous data and told him scornfully to do his homework. ... 

The alkylation of dianion of methyl 3-nitropropionate requires 5 equiv of HMPA. HMPA is a listed mutagen and should not be used in industry or in academia. l,3-Dimethyl-3,4,5,6-tetra-hydropyrimidine (DMPU)164 and quinuclidine IV-oxide (QNO)165 are recommended as replacements of HMPA (Eq. 7.119). 

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