chemical bonds, covalent, ionic and metallic
bonds and Hydrogen bonds and van der Waals
forces are summarized.
E.
Modeling of Electron And Molecular
Structure
Modeling of the molecular and electron
structure is presented summarizing different
methods, e.g. MM, Hartree-Fock, semi-
empirical, DFT, Møller Plesset, the used ap-
proximations are shown. Furthermore display
options and methods are discussed for inor-
ganic chemistry models.
F.
Chemical Compounds, Stoichiometry
Compounds and chemical composition is
introduced in this chapter, the ambiguity of the
chemical formula is shown with stoichiometry.
The main groups of chemical compounds and
grouping of inorganic compounds, e.g. salts
are discussed. The special properties of water
underline the importance of this compound.
G.
Chemical Equilibria, Acid-Base Theories
Chemical equilibria are considered in gas-
es, acids and bases. Basic information of acid-
base theories is presented: Arrhenius theory,
Brønsted-Lowry theory, Lewis theory, Pearson
theory (HSAB), furthermore superacids and
superbases are presented.
H.
Case Studies
Case studies for the most important chemi-
cal elements are presented with abundance,
production and detailed use. The following
elements are featured hydrogen, oxygen, car-
bon, nitrogen, sulphur, sodium, silicon and
boron.
I.
States of Matter
The states of matter are presented in detail.
Gas state with gas laws. Liquid state with de-
scription of the properties of liquids based on
surface forces. Solid state with crystal lattices
and the plasma state.
J.
Solutions, Mixtures
The fundamental properties of mixtures,
e.g. miscibility and solubility are introduced.
Detailed description of azeotropes and eutectic
systems is presented. The colligative proper-
ties (lowering of vapor pressure, freezing point
depression, boiling point elevation and osmo-
sis pressure) are presented.
K.
Thermodynamics
A short introduction to chemical thermody-
namics via the laws of thermodynamics, defin-
ing extensive and intesive quantities is pre-
sented. Detailed presentation of heat, entropy,
enthalpy, Gibbs free energy and thus the no-
tion and properties of equilibrium is shown.
L.
Electrochemistry
The following themes are summarized in
this lecture: electrolytes, electrochemistry,
concentration cells, galvanic cell, electromo-
tive force, standard electrode potentials, redox
reactions and electrolysis.
III.
W
ORLD OF MOLECULES
II.
O
RGANIC CHEMISTRY
A.
The structure of the molecules how we see
(with spectroscopy)
The following spectroscopic methods are
presented in detail: ultraviolet spectroscopy,
infrared spectroscopy,
1
H-NMR spectroscopy,
13
C-NMR spectroscopy, mass spectroscopy,
X-ray crystallography. Also examples from
the application of
1
H-NMR spectroscopy are
featured.
B.
Organic compounds and nomenclature:
why ‘organic’, conventions and rules
The following order of names is presented
for (organic) chemical nomenclature: additive
names, radiofunctional names, fusion and
Hantschz-Widman names, replacement names,
conjuctive names, multiplying names, substi-
tutive names, substractive names, and organic
compounds.
C.
Chemical reaction types, energy
involvement; reactivity and stability
The classification of reactions is demon-
strated: electrophilic and nucleophilic, reagent
types are detailed and electronegativity of
groups is considered.
26
D.
A case study on the design of chemical
reaction
The mechanism of 1,3-dipolar cycloaddi-
tions and classification of dipoles is intro-
duced. The synthesis of several dipoles, type
of 1,3-dipolar cycloadditions and synthesis of
pyrazolo[3,4-d]pyridazines are featured with
expected and obtained regioisomers.
E.
Computational chemistry methods
Organic chemical approach to molecular
modeling is presented summarizing ‘classical’
mechanics methods, quantum mechanics
methods. Defining basic sets, basics via exam-
ples.
F.
Reactivity
The following properties of chemical reac-
tions are detailed inductive and field effect,
resonance and steric effect, hyperconjugation
and the energy profile of chemical reactions.
G.
Drug research and development: some
current aspects
The description of drug–receptor/enzyme
interaction is the key to understand the princi-
ple of drug action. Methods for development
of new drugs are e.g. de novo design, SOSA
(selective optimization of side activities), fur-
thermore the options for therapies are summa-
rized.
H.
Important hints for practices of organic
synthesis
Laboratory equipment and parts of prepara-
tion are described. The following processes
and tasks in the laboratory environment are
detailed: liquid-liquid extraction/washing, dry-
ing, filtration, distillation, crystallization, clas-
sification, chromatography and purification.
I.
Explore the known information: The
importance and illustration of the
literature search and databases
Useful tools and applications for retrieving
information, chemical databases, university
databases, free databases, and protein
databases and illustrated in detail with hands-
on screenshots.
IV. S
UMMARY
World of molecules is a subject using bot-
tom-up approach to basic inorganic and organ-
ic chemistry. The previous subchapters detail
that this slide series starts at the smallest level
of building blocks for chemical elements and
develops step-by-step into the full description
of states of matter through detailed description
of the constituents of chemical compounds and
their rules of interaction and reaction. Fur-
thermore, a basic introduction to nomenclature
and organic chemistry is also presented along
with introductory molecular modeling and
simulation to understand drug research tasks.
Case studies and synthetic organic chemistry
laboratory protocols are described. Also, the
basic introduction to drug research and devel-
opment underlines the need for us to better
understand the underlying chemical principles
to be able to enhance drug design and devel-
opment tasks.
The main aim of this course is to introduce
students to the modern aspects and uses of
molecules and through that the usefulness of
chemistry.
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