Academic Research Projects and Activities
Mainly papers presented and published

Shu-Kun Lin
http://www.mdpi.org/lin/projects.htm

1. Molecular diversity preservation for drug discovery and diversity assessment.

1.1. MDPI project of samples collection and exchange for drug discovery. Diversity preservation: Establish a new theory for diversity preservation. Worldwide collection and exchange of samples of molecules and biomolecules. Preserve diversity by internet publication of experimental data.
Collaborator(s):
1-1-1. MDPI Guide to the deposit and exchange of compound samples. Presented at ACS 212th National Meeting, Orlando, Florida, August 25-29, 1996.
Chemical Abstracts: abstracts.htm#1-1-1

1-1-2. Molecular Diversity Preservation Strategies: The MDPI Project. Presented at the 36th IUPAC Congress, Geneva, Switzerland. 1997.

1-1-3. Chemical samples preservation and exchange. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), ENVR-111.
Chemical Abstracts: abstracts.htm#1-1-3

1-1-4. Disinfectants and virucides for preventing AIDS. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), MEDI-284.
Chemical Abstracts: abstracts.htm#1-1-4

Organizer (or member of the organizing committee):
CHI Second Annual Conference on Strategies and Techniques for Identification of Novel Bioactive Compounds. October 7-9, 1998 Zurich, Switzerland.
The First International Symposium for Chinese Medicinal (ISCMC 1998 Taipei), July 19-23, 1998, Taipei.
The Second International Symposium for Chinese Medicinal (ISCMC 2000), October 15-19, 2000, Chengdu, China

1.2. Diversity assessment
Collaborator(s):
1-2-1. Lin, S. -K. Molecular Diversity Assessment: Logarithmic Relations of Information and Species Diversity and Logarithmic Relations of Entropy and Indistinguishability After Rejection of Gibbs Paradox of Entropy of Mixing. Molecules 1996, 1, 57-67. (download the paper in pdf format at http://www.unibas.ch/mdpi/lin/moldivpa.pdf).

1-2-2. Molecular diversity assessment and information theory. Also Book of Abstracts, 215th ACS National Meeting, Dallas, March 29-April 2 (1998), COMP-180. Publisher: American Chemical Society, Washington, D. C. CODEN: 65QTAA.

1-2-3. The Drug Discovery Paradigm, NATIONAL SCIENCE SEMINAR COMPLEX, (Indian Institute of Science Campus). September 15-17,1999 Bangalore, India.
Title of the invited talk: Ugly Symmetry, Beautiful Diversity: Theory and Application to Molecular Diversity Assessment and Exploitation for Drug Discovery

1-2-4. NATO Advanced School on Frontiers in Molecular Diversity: From Biology to Material Science
Title of the invited talk: Similarity,Complementarity, and Molecular Diversity Assessment, September 19-22, 1999 Moscow, Russia.

2. Chemical and biopharmaceutical information and informatics.

2.1. Online journals editorship, online publication and conference initials
2-1-1. Journals and E-Conference

Molecules (ISSN 1420-3049, CODEN: MOLEFW) http://www.mdpi.org/molecules (Since 1996)
Entropy (ISSN 1099-4300, CODEN: ENTRFG) http://www.mdpi.org/entropy/ (Since 1999)
Chemical Journal on Internet, (ISSN 1523-1623, CODEN: CJIHAC) http://www.mdpi.org/cji or http://www.chemistrymag.org (Since 1999)
International Journal of Molecular Sciences (ISSN 1422-0067, CODEN: IJMCFK) http://www.mdpi.org/ijms or http://www.ijms.org (Since 2000)

ECSOC (http://www.mdpi.org/ecsoc/) sponsored by several pharmaceutical and chemical companies.

2-1-2. Authors' e-mail address and URL to be added to chemical abstracts. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), CINF-016.
Chemical Abstracts: abstracts.htm#2-1-2

2-1-3. An Opportunity for a First Chemistry Research Paper for College Students
Spring'00 CONFCHEM

2-1-4. Organizer of  the CINF sponsored symposium "Electronic Chemistry Publishing" at the Spring ACS meeting in San Diego (April 1-5, 2001).

2.2. Structure Database
2-2-1.Lin, S. -K.; Patiny, L. MolBank: First Fully Web-Based Publication of Chemical Reaction Data of Individual Molecules with Structure Search and Submission. Internet Journal of Chemistry, 2000, 3, 1. (http://www.mdpi.org/lin/molbank/).

2-2-2. MolMall (www.molmall.org) nonprofit project for chemical exchange. Patiny, Luc; Lin, Shu-Kun. Institute of Organic Chemistry, University Lausanne, Lausanne, Switz. Book of Abstracts, 219th ACS National Meeting, San Francisco, CA, March 26-30, 2000 (2000), CINF-066.
Chemical Abstracts: abstracts.htm#2-2-2

2-2-3. MolBank: Preservation and publication of chemical reaction data. (presented with the assistance of by Dr. Luc Patiny, the MolBank editor) 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), CINF-078.
Chemical Abstracts: abstracts.htm#2-2-3

2-3. One-Wedge Convention for Stereochemical Representation (This proposal was submitted to IUPAC in 1999)
2-3-1. One-Wedge Convention of Stereochemical Representation of Quadrivalent Centers. First International Electronic Conference on Synthetic Organic Chemistry (ECSOC-1), www.mdpi.org/ecsoc/, September 1-30,
1997.

2-3-2. Stereochemical representation by wedges and a one-wedge convention. Lin, Shu-Kun, http://mdpi.org/lin/, MDPI, Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), ORGN-198.
Chemical Abstracts: abstracts.htm#2-3-2

2-3-3. One-Wedge Convention for Stereochemical Representations
Shu-Kun Lin, Luc Patiny, Andrey Yerin, Janusz L. Wisniewski and Bernard Testa
One-Wedge Convention for Stereochemical Representations. Enantiomer 2000, 5, 571-583. http://www.unibas.ch/mdpi/molecules/wedge/wedge2.pdf

3. Study the fundamental nature of the chemical processes by experimental studies (organic synthesis, etc.) and by developing a useful theory of structural stability and process spontaneity.

3-1. Theory. Similarity principle: Establish a new theory of structural stability and process spontaneity after rejection of Gibbs paradox statement in statistical mechanics. I call this new theory similarity principle. Apply similarity principle to experimental chemistry such as organic synthesis. Understand the nature of the chemical process. Apply similarity principle for diversity assessment, data reduction and compression.
3-1-1. Recent Papers

Lin, S. -K. What Is a Molecule? Int. J. Mol. Sci. 2000, 1, 6-7 (http://www.mdpi.org/ijms/htm/i1010006.htm).

Lin, S. -K. Editorial: Diversity and Entropy. Entropy 1999, 1, 1-3 (http://mdpi.org/entropy/htm/e1010001.htm)

Lin, S. -K. Understanding structural stability and process spontaneity based on the rejection of the Gibbs paradox of entropy of mixing. Journal of Molecular Structure (Theochem), 1997, 398, 145-153. pages:145,146, 147,148,149,150,151,152,153.

Lin, S. -K. Gibbs paradox of entropy of mixing: Experimental facts, its rejection, and the theoretical consequences. Journal of Theoretical Chemistry, 1996, 1, 135-150. (download the paper in pdf format at http://www.unibas.ch/mdpi/lin/ejtc027.pdf).

Lin, S. -K. Correlation of Entropy with Similarity and Symmetry. Journal of Chemical Information and Computer Sciences, 1996, 36, 367-376. pages: 367,368,369,370,371,372,373,374,375,376.

3-1-2. Conference presentation

Three papers were presented at the Second International Congress on Theoretical Chemical Physics, New Orleans, Louisiana, April 9-13 1996:
Lin, S. -K. Negative Temperature of Electronic Motion in Atoms and Molecules.
Lin, S. -K. Informational Temperature Concept and the Nature of Self-organization.
Lin, S. -K. Gibbs Paradox of Entropy of Mixing: Experimental facts, Its Rejection, and the Theoretical Consequences.

Five papers were presented at the World Congress of Theoretically Oriented Chemists (WATOC 96), Jerusalem, Israel, July 7-12, 1996.Download the following five abstracts (5pp) in pdf format.
Lin, S. -K. Understanding structural stability and process spontaneity based on the rejection of the Gibbs paradox of entropy of mixing, Abstract Book p. 106.
Lin, S. -K. The nature of the chemical process. 2. Mixing and separation, Abstract Book p. 174.
Lin, S. -K. The nature of the chemical process. 3. Self-organization in hierarchical structures, Abstract Book p. 175.
Lin, S. -K. The nature of the chemical process. 4. Formation of the chemical bond, Abstract Book p. 176.
Lin, S. -K. The nature of the chemical process. 5. Deformation in energy transduction, Abstract Book p. 177.

Lin, S. -K. Symmetry Breaking Problem Resolved, The American Physical Society March 1997, Kansas City, MO, USA. Download the summary in html format.

3-1-2-1. Ugly Symmetry (invited talk) Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), ORGN-227.
Chemical Abstracts: abstracts.htm#3-1-2-1

3-1-2-2. Similarity rule and complementarity rule (a talk). Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), ORGN-449
Chemical Abstracts: abstracts.htm#3-1-2-2

3-1-2-3. Negative local thermodynamic temperature: Electronic motion. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), PHYS-242.
Chemical Abstracts: abstracts.htm#3-1-2-3

3-1-2-4. Similarity principle and rejection of Gibbs paradox. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), PHYS-244.
Chemical Abstracts: abstracts.htm#3-1-2-4

3-1-2-5. Symmetry principle and similarity principle. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), PHYS-245.
Chemical Abstracts: abstracts.htm#3-1-2-5

3-1-2-6. Entropy and information. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), PHYS-354.
Chemical Abstracts: abstracts.htm#3-1-2-6

3.2. Experimental
Lin, S. -K. A Facile Synthesis of Quinoxaline-2,3-diones as NMDA Receptor Antagonists, Molecules, 1996, 1, 37-40. (download the paper in pdf format at http://www.unibas.ch/mdpi/lin/quinoxaline.pdf).
4. Organic synthesis. Organic synthesis related to medicinal chemistry by applying MDPI structural database (www.molmall.org)

4.1. Combinatorial chemistry (building blocks and combinatorial synthesis).
Collaborator(s): Pharmaceutical companies and universities

4.2. Synthesis of bioactive compounds.
Collaborator(s): Pharma or agrochemical companies and universities

Lin, S. -K.; Rasetti, V. Synthesis of Benzospiro[5,6]undecane Derivatives as Inhibitors of Steroid 5-a-Reductase, Helvetica Chimica Acta, 1995, 78, 857-865.
Updated on 14 September 2000, updated slightly on 14 October 2007, lin@mdpi.org