Terminology

The main attraction of hyperspectral imaging is to obtain the complete picture of the sample. It has been reported that particle size or blending quality (spatial distribution characteristics) is as important to the performance of a pharmaceutical product as its chemical composition [5, 6]. Hence, by characterizing both the chemical and spatial composition of the sample, hyperspectral imaging can provide valuable insight that bridges the relationships between processing and perfor- 

A hypercube consists of numerous spectra, enabling unsupervised chemometric and statistical analysis. Under the right circumstances, this provides an alternative way to perform quantitative analysis, which requires no calibration set or model development. 

In the case of pharmaceutical samples, Raman spectroscopy is sensitive to crystallinity and polymorphism, both of which are important with regards to the bioavailability (and protection of the intellectual property) of active ingredients. 

Water is the most tested liquid in surface science because of its abundance. Its Greek word is hydro. Therefore, hydrophilic and hydrophobic are the most 

Amphiphilic Surfactant molecule having a polar group and a hydrocarbon chain Chemists have extended it to describe polar and nonpolar interactions 

Lyophilic Affinity with colloids Not appropriate to describe liquid-solid interaction 

Lipophilic Affinity with fats and lipids Limit in scope 

The term amphiphilic is used to describe surfactant-like molecules having a dual polarity a polar group in one end and a long hydrocarbon chain in the other end. Chemists have stretched it to describe polar and nonpolar interactions. If the term amphiphilic/amphiphobic is used, the author is advised to speedy the liquids used. As for lipophilic, we find it limits in scope because lipo usually means fats and lipids. Although some have extended it to hydrocarbon oils, we feel that hydrocarbon oils are already represented by oleo. We also feel that the term lyophilic is not appropriate. It was used to describe affinity between colloids and their dispersed media and doesn t appear to be too relevant. 

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If a rock is sufficiently stressed, the yield point will eventually be reached. If a brittle failure is initiated a plane of failure will develop which we describe as a fault. Figure 5.6 shows the terminology used to describe normal, reverse and wrench faults. 

The equations of electrocapillarity become complicated in the case of the solid metal-electrolyte interface. The problem is that the work spent in a differential stretching of the interface is not equal to that in forming an infinitesimal amount of new surface, if the surface is under elastic strain. Couchman and co-workers [142, 143] and Mobliner and Beck [144] have, among others, discussed the thermodynamics of the situation, including some of the problems of terminology. 

A term that is nearly synonymous with complex numbers or functions is their phase. The rising preoccupation with the wave function phase in the last few decades is beyond doubt, to the extent that the importance of phases has of late become comparable to that of the moduli. (We use Dirac s terminology [7], which writes a wave function by a set of coefficients, the amplitudes, each expressible in terms of its absolute value, its modulus, and its phase. ) There is a related growth of literatm e on interference effects, associated with Aharonov-Bohm and Berry phases [8-14], In parallel, one has witnessed in recent years a trend to construct selectively and to manipulate wave functions. The necessary techifiques to achieve these are also anchored in the phases of the wave function components. This bend is manifest in such diverse areas as coherent or squeezed states [15,16], elecbon bansport in mesoscopic systems [17], sculpting of Rydberg-atom wavepackets [18,19], repeated and nondemolition quantum measurements [20], wavepacket collapse [21], and quantum computations [22,23], Experimentally, the determination of phases frequently utilizes measurement of Ramsey fringes [24] or similar" methods [25]. 

The task is now to calculate the structure and energy of the system in the transition state between A and B. Its wave function is assumed to be constmcted from a linear combination of the two. It is convenient to use VB terminology for this purpose. Let the wave function of A be denoted by a VB function A) and that of B by B). 

This rec ord/field terminology allows the treatment of a PDB file as an ordered collection of record types,... 

In these Lorentzian lines, the parameter x deseribes the kinetie deeay lifetime of the moleeule. One says that the speetral lines have been lifetime or Heisenberg broadened by an amount proportional to 1/x. The latter terminology arises beeause the finite lifetime of the moleeular states ean be viewed as produeing, via the Heisenberg uneertainty relation AEAt >fe, states whose energy is "uneertain" to within an amount AE. 

This chapter is in no way meant to impart a thorough understanding of the theoretical principles on which computational techniques are based. There are many texts available on these subjects, a selection of which are listed in the bibliography. This book assumes that the reader is a chemist and has already taken introductory courses outlining these fundamental principles. This chapter presents the notation and terminology that will be used in the rest of the book. It will also serve as a reminder of a few key points of the theory upon which computation chemistry is based. 

Computational results can be related to thermodynamics. The result of computations might be internal energies, free energies, and so on, depending on the computation done. Likewise, it is possible to compute various contributions to the entropy. One frustration is that computational software does not always make it obvious which energy is being listed due to the dilferences in terminology between computational chemistry and thermodynamics. Some of these differences will be noted at the appropriate point in this book. 

There are many good books describing the fundamental theory on which computational chemistry is built. The description of that theory as given here in the first few chapters is very minimal. We have chosen to include just enough theory to explain the terminology used in later chapters. 

For molecules similar to safrole or allylbenzene we take the work done on any terminal alkene such as 1-heptene, 1 octene. Another term to look for is olefin which is a term for a doublebond containing species. What we then look for are articles about these olefins where the functional groups we are looking for are formed. Articles with terminology like methyl ketones from (P2P), ketones from , amines from etc. Or when we want to see about new ways to aminate a ketone (make final product from P2P) we look for any article about ketones where amines are formed. Sound like science fiction to you Well, how do you think we came up with half the recipes in this book It works ... 

So without direct amination we are confined to semi-direct ami-nation (Strike s terminology). In Strike s opinion, the direct addition of an azide (N3) counts. Once on the beta carbon, that azide is as good as an amine. But can we get an azide directly onto safrole without having to go thru the bromosafrole intermediate as was discussed earlier Maybe we can ... 

Figure 13 7 shows the H NMR spectrum of chloroform (CHCI3) to illustrate how the terminology just developed applies to a real spectrum... 

The keto and enol forms are constitutional isomers Using older terminology they are referred to as tautomers of each other... 

Symbols separated by commas represent equivalent recommendations. Symbols for physical and chemical quantities should be printed in italic type. Subscripts and superscripts which are themselves symbols for physical quantities should be italicized all others should be in Roman type. Vectors and matrices should be printed in boldface italic type, e.g., B, b. Symbols for units should be printed in Roman type and should remain unaltered in the plural, and should not be followed by a full stop except at the end of a sentence. References International Union of Pure and Applied Chemistry, Quantities, Units and Symbols in Physical Chemistry, Blackwell, Oxford, 1988 Manual of Symbols and Terminology for Physicochemical Quantities and Units, Pure Applied Chem. 31 577-638 (1972), 37 499-516 (1974), 46 71-90 (1976), 51 1-41, 1213-1218 (1979) 53 753-771 (1981), 54 1239-1250 (1982), 55 931-941 (1983) lUPAP-SUN, Symbols, Units and Nomenclature in Physics, PV ica 93A 1-60 (1978). 

Much more work will have to be done in this important field, however, before either the concepts or the terminology " can be regarded as fully established. 

Analytical chemists converse using terminology that conveys specific meaning to other analytical chemists. To discuss and learn analytical chemistry you must first understand its language. You are probably already familiar with some analytical terms, such as "accuracy and "precision, but you may not have placed them in their appropriate analytical context. Other terms, such as "analyte and "matrix, may be less familiar. This chapter introduces many important terms routinely used by analytical chemists. Becoming comfortable with these terms will make the material in the chapters that follow easier to read and understand. 

Every discipline has its own terminology. Your success in studying analytical chemistry will improve if you master the language used by analytical chemists. Be sure that you understand the difference between an analyte and its matrix, a technique and a method, a procedure and a protocol, and a total analysis technique and a concentration technique. 

The following paper provides a general introduction to the terminology used in describing sampling. 

The textbook s organization can be divided into four parts. Chapters 1-3 serve as an introduction, providing an overview of analytical chemistry (Chapter 1) a review of the basic tools of analytical chemistry, including significant figures, units, and stoichiometry (Chapter 2) and an introduction to the terminology used by analytical chemists (Chapter 3). Familiarity with the material in these chapters is assumed throughout the remainder of the text. 

In the case of fast ions, the terminology of secondary ion emission mass spectrometry (SIMS) is more obvious in that a primary incident beam of ions onto a target releases secondary ions after impact. 

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