ers¹ have presented calculations estimating radiation damage of samples. They suggest that useful structural information might be obtained before radiation damage destroys the sample by using femtosecond x-ray pulses. Moreover, their calculations indicate that sufficiently bright light sources might be capable of imaging ultrasmall samples at sizes approaching that of a single biological molecule.

Structure determination has greatly advanced with the invention of new ways to use x-ray crystallography, mainly new mathematical methods that permit the interpretation of the observed patterns of diffraction of x-rays by a crystal, translating it into the molecular structures in the crystal. A Nobel Prize in 1985 to Herbert Hauptmann and Jerome Karle recognized such an advance.

The “weighing” of a molecule of a chemical substance and of its fragments has great utility in both assessing molecular identity and determining molecular structure. The determination of molecular weight is after all one of the most elemental aspects of puzzling out the structure and identity of an unknown sample or a new substance. Furthermore, if the molecular mass can be determined with sufficient accuracy, the elemental formula of the substance can be estimated or at least the possible choices narrowed considerably. For materials such as those encountered in biologically derived samples, where the quantities available are very small, determining a molecular weight and elemental formula are extremely important steps. Ion cyclotron resonance mass spectrometry (ICR-MS) has been especially effective at exact mass determinations.

Mass spectrometry requires that the material being studied be converted into a vapor. Great strides have been taken in recent years to address this problem, especially in enticing large, thermally fragile (bio)molecules into the vapor state. Matrix assisted laser ionization-desorption (MALDI) and electrospray ionization (ESI) are two current forefront methods that accomplish this task. Even components of bacteria and intact viruses are being examined with these approaches. John B. Fenn and Koichi Tanaka shared in the award of a Nobel Prize in 2002 for their respective contributions to development of electrospray ionization and soft laser desorption.

A decade or so ago, mass spectrometry was regarded as a “mature” area of methodology. The invention of new ways to volatilize molecules, from solids and from surfaces, has revolutionized and re-invigorated this field. It is an excellent example of how new ideas can make even supposedly “dead” areas find new life.

Front Matter (R1-R14)

Executive Summary (1-10)

1 Introduction (11-15)

2 The Structures and Cultures of the Disciplines: The Common Chemical Bond (16-21)

3 Synthesis and Manufacturing: Creating and Exploiting New Substances and New Transformations (22-40)

4 Chemical and Physical Transformations (41-54)

5 Isolating, Identifying, Imaging, and Measuring Substances and Structures (55-70)

6 Chemical Theory and Computer Modeling: From Computational Chemistry to Process Systems Engineering (71-94)

7 The Interface with Biology and Medicine (95-122)

8 Materials by Design (123-147)

9 Atmospheric and Environmental Chemistry (148-159)

10 Energy: Providing for the Future (160-170)

11 National and Personal Security (171-179)

12 How To Achieve These Goals (180-194)

Appendix A: Biographical Sketches of Steering Committee Members (195-201)

Appendix B: Statement of Task (202-202)

Appendix C: Contributors (203-208)

Index (209-224)