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Alexandru T. Balaban (born April 2, 1931 in
Timișoara ), City of Roses ( ro, Orașul florilor), City of Parks ( ro, Orașul parcurilor) , image_map = Timisoara jud Timis.svg , map_caption = Location in Timiș County , pushpin_map = Romania#Europe , pushpin_ ...
) is a Romanian chemist who made significant contributions to the fields of
organic chemistry Organic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms.Clayden, ...
,
theoretical chemistry Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface o ...
,
mathematical chemistry Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modeling of chemical phenomena. Mathematical chemistry has also sometimes been called co ...
, and chemical graph theory.


Early life and education

Balaban was born in
Timișoara ), City of Roses ( ro, Orașul florilor), City of Parks ( ro, Orașul parcurilor) , image_map = Timisoara jud Timis.svg , map_caption = Location in Timiș County , pushpin_map = Romania#Europe , pushpin_ ...
, in the western part of
Romania Romania ( ; ro, România ) is a country located at the crossroads of Central, Eastern, and Southeastern Europe. It borders Bulgaria to the south, Ukraine to the north, Hungary to the west, Serbia to the southwest, Moldova to the east, and ...
. His parents (Teodor and Florica Balaban) paid a lot of attention to Balaban's education, strongly encouraging his fascination with chemistry. In 1935 his family moved to
Bucharest Bucharest ( , ; ro, București ) is the capital and largest city of Romania, as well as its cultural, industrial, and financial centre. It is located in the southeast of the country, on the banks of the Dâmbovița River, less than north of ...
, where Balaban attended elementary school. After
World War II World War II or the Second World War, often abbreviated as WWII or WW2, was a world war that lasted from 1939 to 1945. It involved the vast majority of the world's countries—including all of the great powers—forming two opposing ...
, in 1945 they moved to
Petroșani Petroșani (; Hungarian: ''Petrozsény''; German: ''Petroschen'') is a city in Hunedoara County, Transylvania, Romania, with a population of 34,331 (2011). The city has been associated with mining since the 19th century. History "Pietros" means ...
, where he finished high school. Alexandru Balaban enrolled the
Politehnica University of Bucharest Politehnica University of Bucharest ( ro, Universitatea Politehnica din București) is a technical university in Bucharest, Romania. 200 years of activity have been celebrated lately, as the university was founded in 1818.Ph.D. A Doctor of Philosophy (PhD, Ph.D., or DPhil; Latin: or ') is the most common degree at the highest academic level awarded following a course of study. PhDs are awarded for programs across the whole breadth of academic fields. Because it is ...
in chemistry on April 2, 1959. The topic of his Ph.D. thesis dealt with the restrictions catalyzed by anhydrous
aluminium chloride Aluminium chloride, also known as aluminium trichloride, is an inorganic compound with the formula . It forms hexahydrate with the formula , containing six water molecules of hydration. Both are colourless crystals, but samples are often contam ...
.


Career

For more than forty years, Balaban held positions at the Chair of Organic Chemistry of the
Politehnica University of Bucharest Politehnica University of Bucharest ( ro, Universitatea Politehnica din București) is a technical university in Bucharest, Romania. 200 years of activity have been celebrated lately, as the university was founded in 1818.assistant professor Assistant Professor is an academic rank just below the rank of an associate professor used in universities or colleges, mainly in the United States and Canada. Overview This position is generally taken after earning a doctoral degree A docto ...
(1956-1960), associate professor (1961-1966) and
full professor Professor (commonly abbreviated as Prof.) is an academic rank at universities and other post-secondary education and research institutions in most countries. Literally, ''professor'' derives from Latin as a "person who professes". Professors ...
(1970-1999)). In addition, he was the head of the Laboratory of Isotopically Labelled Compounds of the Bucharest Institute of Atomic Physics from 1967 to 1974. In 1963, he was elected as Corresponding Member of the Romanian Academy, and in 1990 as Titular Member. From 1967 to 1970, he was appointed as a Senior Research Officer at the Chemistry Division, International Atomic Energy Agency, Vienna, Austria, in charge with radiopharmaceuticals. From 1995 to 1998, he was acting as Vicepresident of the
Romanian Academy The Romanian Academy ( ro, Academia Română ) is a cultural forum founded in Bucharest, Romania, in 1866. It covers the scientific, artistic and literary domains. The academy has 181 active members who are elected for life. According to its byl ...
. From 1991 to 2012, he was a tenured professor of chemistry at
Texas A&M University at Galveston Texas A&M University at Galveston (TAMUG) is an ocean-oriented branch campus of Texas A&M University offering both undergraduate and graduate degrees that are awarded from Texas A&M University in College Station. Students enrolled at Texas A&M Unive ...
. Since 2013, after his retirement, he has continued as Professor Emeritus at this university.


Research


Experimental organic chemistry

Balaban has been investigating the synthesis and properties of
pyrylium salt Pyrylium is a cation (positive ion) with formula , consisting of a six-membered ring of five carbon atoms, each with one hydrogen atom, and one positively charged oxygen atom. The bonds in the ring are conjugated as in benzene, giving it an arom ...
s. He discovered with co-workers a new way of synthesis of pyrylium salts by diacylation of
alkene In organic chemistry, an alkene is a hydrocarbon containing a carbon–carbon double bond. Alkene is often used as synonym of olefin, that is, any hydrocarbon containing one or more double bonds.H. Stephen Stoker (2015): General, Organic, an ...
s. This reaction is known as Balaban-Nenitzescu-Praill reaction. Nowadays, Balaban is recognized as a world authority in this field. He wrote the only existing book in this area. Balaban also developed new synthesis of oxazoles by AlCl3 catalyzed substitution of aromatic compounds with azlactones, followed by dehydration. In addition, he had been exploring new syntheses of
indolizine Indolizine is an heterocyclic compound with the formula C8H7N). It is an uncommon isomer of indole with the nitrogen located at a ring fusion position. The saturated analogs are indolizidine, which are found in a variety of alkaloids such as swai ...
s and of
naphthalene Naphthalene is an organic compound with formula . It is the simplest polycyclic aromatic hydrocarbon, and is a white crystalline solid with a characteristic odor that is detectable at concentrations as low as 0.08  ppm by mass. As an aromati ...
derivatives. In order to explain the extraordinary stability of hydrazyls such as 2,2-diphenyl-1-picryl-hydrazyl, Balaban and his co-workers prepared related hydrazyls with lower steric shielding and accordingly lower stability. Then the first push-pull diarylaminyls were synthesized and shown to have stabilities depending both on electronic and
steric effects Steric effects arise from the spatial arrangement of atoms. When atoms come close together there is a rise in the energy of the molecule. Steric effects are nonbonding interactions that influence the shape ( conformation) and reactivity of ions ...
. Another experimental research direction involves the synthesis of
chelate Chelation is a type of bonding of ions and molecules to metal ions. It involves the formation or presence of two or more separate coordinate bonds between a polydentate (multiple bonded) ligand and a single central metal atom. These ligands are ...
compounds having
boron Boron is a chemical element with the symbol B and atomic number 5. In its crystalline form it is a brittle, dark, lustrous metalloid; in its amorphous form it is a brown powder. As the lightest element of the ''boron group'' it has th ...
as the central atom.


Theoretical chemistry Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface o ...

Balaban had a permanent interest in
theoretical chemistry Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface o ...
. He is considered as one of pioneers of chemical graph theory. The first book about this interdisciplinary field was edited by Balaban and appeared in 1976: ''Chemical Applications of Graph Theory''. One area in which cubic (or trivalent) graphs play a dominant role is the enumeration of 'n''nnulene valence isomers (CH)''n'' where ''n'' is an even number. With two coauthors, Balaban published in 1986 on this topic a 3-volume monograph (''Annulenes, Benzo-, Hetero-, Homo-Derivatives and Their Valence Isomers''). Some of these valence isomers undergo thermal or pohotochemical automerizations. More recently, Balaban edited in 1997 a book titled ''From Chemical Topology to Three-Dimensional Geometry'' in which various two- and three-dimensional nets were discussed. On using an approach similar to that imagined by Randić for his connectivity index χ, but replacing the
adjacency matrix In graph theory and computer science, an adjacency matrix is a square matrix used to represent a finite graph. The elements of the matrix indicate whether pairs of vertices are adjacent or not in the graph. In the special case of a finite simp ...
by the
distance matrix In mathematics, computer science and especially graph theory, a distance matrix is a square matrix (two-dimensional array) containing the distances, taken pairwise, between the elements of a set. Depending upon the application involved, the ''dist ...
, and compensating graph-size-increase, a new
topological index In the fields of chemical graph theory, molecular topology, and mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compo ...
(TI) ''J'' was proposed under the name "average distance-based connectivity index"; it is now known as the "Balaban index". Not only is it much less degenerate than all previous TIs, but it allows a simple encoding for the presence of
multiple bond In chemistry, bond order, as introduced by Linus Pauling, is defined as the difference between the number of bonds and anti-bonds. The bond order itself is the number of electron pairs (covalent bonds) between two atoms. For example, in diat ...
s or
heteroatom In chemistry, a heteroatom () is, strictly, any atom that is not carbon or hydrogen. Organic chemistry In practice, the term is usually used more specifically to indicate that non-carbon atoms have replaced carbon in the backbone of the molecula ...
s. Other new TIs were studied: several TIs based on informational descriptors, and triplet-based indices that result from converting
matrices Matrix most commonly refers to: * ''The Matrix'' (franchise), an American media franchise ** ''The Matrix'', a 1999 science-fiction action film ** "The Matrix", a fictional setting, a virtual reality environment, within ''The Matrix'' (franchis ...
into systems of
linear equation In mathematics, a linear equation is an equation that may be put in the form a_1x_1+\ldots+a_nx_n+b=0, where x_1,\ldots,x_n are the variables (or unknowns), and b,a_1,\ldots,a_n are the coefficients, which are often real numbers. The coefficien ...
s. The Lewis acid-catalyzed syntheses of diamondoid hydrocarbons discovered by Schleyer proceed via multiple
1,2-rearrangement A 1,2-rearrangement or 1,2-migration or 1,2-shift or Frank C. Whitmore, Whitmore 1,2-shift is an organic reaction where a substituent moves from one atom to another atom in a chemical compound. In a 1,2 shift the movement involves two adjacent atoms ...
s. The graph-theoretical analysis of the simplest such reaction involves an ethyl cation with five substituents which undergoes an automerization. This process is characterized by a 20-vertex or a 10-vertex graph depending whether one carbon atom of ethane is or is not labeled. These graphs constitute the first ''reaction graphs'', in which vertices symbolize reaction intermediates and edges symbolize elementary reaction steeps.


Graph theory In mathematics, graph theory is the study of ''graphs'', which are mathematical structures used to model pairwise relations between objects. A graph in this context is made up of '' vertices'' (also called ''nodes'' or ''points'') which are conne ...

Starting from the 10-vertex graph known as the 5-cage or the
Petersen graph In the mathematical field of graph theory, the Petersen graph is an undirected graph with 10 vertices and 15 edges. It is a small graph that serves as a useful example and counterexample for many problems in graph theory. The Petersen graph is n ...
, Balaban observed relations among the known cages. Having discovered how a cage with smaller
girth Girth may refer to: ;Mathematics * Girth (functional analysis), the length of the shortest centrally symmetric simple closed curve on the unit sphere of a Banach space * Girth (geometry), the perimeter of a parallel projection of a shape * Girth ...
''g'' was hidden in a cage with girth ''g'' + 1, Balaban published a paper on what was later proved to be the first 10-cage, known as the Balaban 10-cage. In 1973, he found the unique 11-cage, known as the Balaban 11-cage, as was proved by mathematicians using a lengthy computer search. Proposals made by Balaban about new possibilities for evaluating the performance of researchers, improving the way citations are used for this purpose (e. g., via the
Hirsch index The ''h''-index is an author-level metric that measures both the productivity and citation impact of the publications, initially used for an individual scientist or scholar. The ''h''-index correlates with obvious success indicators such as win ...
) included the use of author indexes of widely circulated treatises, or modifying the way one considers the impact factors of journals. Honoring invitations to contribute to special issues of journals dedicated to the philosophy of chemistry, Balaban published in ''Hyle'' an essay on how the "Sherlock Holmes principle" (if one eliminates the impossible, then whatever remains, no matter how improbable, must contain the truth) can be implemented by chemical graph theory which allows for instance to find all chemical isomers for a given formula.


Scientific publications

Author or co-author for 9 books including: *''Pyrylium Salts. Syntheses, Reactions and Physical Properties'', Academic Press, 1982 *''Annulenes, Benzo-, Hetero-, Homo-Derivatives and Their Valence Isomers'', three volumes, CRC Press, 1986 *''Modeling of Cancer Genesis and Prevention'', CRC Press, 1990 Editor or co-editor of 8 books including: *''Chemical Applications of Graph Theory,'' Academic Press, 1974; translated into Chinese in 1983 *''From Chemical Topology to Three-Dimensional Geometry'', Plenum Press, 1997 *''Science and Technology Management,'' NATO Science Series, 1987 *''Topological Indices and Related Descriptors in QSAR and QSPR,'' Gordon and Breach, 1999. Chapters in books edited by other authors: 80. Articles published in peer-reviewed scientific periodicals: 800. Patents: 25.
Hirsch index The ''h''-index is an author-level metric that measures both the productivity and citation impact of the publications, initially used for an individual scientist or scholar. The ''h''-index correlates with obvious success indicators such as win ...
: 62


Memberships

1963, elected as corresponding member of the
Romanian Academy The Romanian Academy ( ro, Academia Română ) is a cultural forum founded in Bucharest, Romania, in 1866. It covers the scientific, artistic and literary domains. The academy has 181 active members who are elected for life. According to its byl ...
, Chemistry Section (youngest member among the other 12-14 corresponding members). In 2013 a special issue of ''International Journal of Chemical Modeling'' was dedicated to the half-century anniversary for this election. Due to political circumstances, the promotion to titular member occurred only after the fall of the communist regime, in 1990 1983, elected as member of the World Academy of Theoretical Organic Chemists, Paris. 1993, elected as titular member of the Romanian Academy of Technical Sciences, Bucharest. 1995, elected as titular member of the American-Romanian Academy of Sciences, Arts and Letters. 2001, elected as honorary member of the
Hungarian Academy of Sciences The Hungarian Academy of Sciences ( hu, Magyar Tudományos Akadémia, MTA) is the most important and prestigious learned society of Hungary. Its seat is at the bank of the Danube in Budapest, between Széchenyi rakpart and Akadémia utca. Its ma ...
, Budapest. 2005, elected as titular member of the
International Academy of Mathematical Chemistry The International Academy of Mathematical Chemistry (IAMC) was founded in Dubrovnik (Croatia) in 2005 by Milan Randić. It is an organization for chemistry and mathematics avocation, and its predecessors have been around since the 1930s. The Acad ...
, Dubrovnik, Croatia. Membership in Editorial Boards: over 15.


Honors and awards

* 1962: Romanian Academy’s Chemistry Prize * 1963: Romanian Order of Labor * 1966: Romanian Order of Scientific Merit * 1994: Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society * 1997: Doctor Honoris Causa, University of Timişoara, Romania * 2000: National Order for Faithful Service of the President of Romania * 2007: Romanian Academy’s Medal “Costin D. Nenitzescu” for distinguished chemical research results * 2007: Distinguished Achievement Award for Research of the Association of Former Students, Texas A&M University


References

{{DEFAULTSORT:Balaban, Alexandru Romanian chemists 1931 births Living people Mathematical chemistry Scientists from Timișoara Titular members of the Romanian Academy Politehnica University of Bucharest alumni Academic staff of the Politehnica University of Bucharest Texas A&M University faculty