Abstract
The nonprofit international organization MDPI launched the first fully
web-based, state-of-the-art virtual market for chem. exchange with substructure
searchable, integrated database for chem. reagents from chem. companies
(e.g., Aldrich) and rare chem. samples from individual chemists, at http//www.molmall.org
server. The software from ChemExper has been already successfully used
for publishing and substructure searching MolBank section of the online
journal Molecules at the http://www.molbank.org server. Many chem. journals
(e.g., Acta Chemica Scandinavica) started to encourage authors to deposit
samples at MDPI in Switzerland at their instruction for authors. Authors
can submit structures of samples directly on the internet. Chemist can
search for reagents and rare samples on the constantly updated database
with one query of substructure or structure, or contributors (suppliers),
IUPAC name, etc. Or their combinations. The result displays as table on
the internet. Progresses and some planned improvements will be discussed.
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. Publisher:
American Chemical Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting
Abstract written in English. AN 1999:617659 CAPLUS
Abstract
The human immunodeficiency virus (HIV) may stay outside of an animal
bodyfor certain period of time in vaginal fluid, sperm and donated blood
beforetransmitting to another body. These unique location and period of
space-timemust be the weakest for the virus. In cases where the control
of diseaseat other stages turned out to be very difficult or impossible,
controlthe epidemics of viral disease, particularly AIDS, by disinfectants
orvirucides should be greatly enhanced. Even though a MEDLINE search found212
titles using phrases "HIV disinfectants", no such product is availableso
far. These products can be applied to the contacting area, such as vaginalarea,
mouth, nose or hand as hand cream or those similar to a spermicide.They
can be used in case that condom is not used. Projects to deactivateor remove
HIV in the blood used for transfusion or in other blood productsby chem.
or phys. methods or any combined methods would be very urgentand of great
interest. International and national organizations may carryout very large
scale related screening programs, in addn. to the existingsmall scaled
projects. I will introduce the plan of MDPI (http://www.mdpi.org,an international
organization for worldwide collection, deposit and exchangeof chem. samples)
to support these AIDS prevention programs andother programs for
AIDS treatment by offering samples for related screenings.
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. Publisher: American Chemical
Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting Abstract written
in English. AN 1999:543490 CAPLUS
Abstract
There are many types of entropy reported in the scientificliterature
and there has been tremendous conceptual confusion (See the editorial of
the new journal Entropy, ISSN 1099-4300, http://mdpi.org/entropy) [1].
It is proposedhere that "entropy () is information () loss" as the relationuniversally
applicable to any entropy concept. º-º, where and
are the maximal entropy and information. There are onlytwo types of entropy
and information loss in all and any cases. One isdue to dynamic motion,
which makes the increase in the accessible microstates.The other is due
to similarity of the species used for information registration.These can
be called dynamic entropy and static entropy, resp.1. Entropy,1999, , 1-3,
and the citations.
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. Publisher:
American Chemical Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting
Abstract written in English. AN 1999:543380 CAPLUS
Abstract
Symmetry generally has been used to characterize structures as a pure
math. attribute We consider the thermodn. implication of symmetry. Because
symmetry has been related to order, the spontaneous formation of sym. structure
has been regarded by Prigogine as "order out of chaos" and the example
violating the second law of thermodn. Therefore, Prigogine's "dissipative
structure theory" must be incorrect and remain useless (see also http://www.mdpi.org/entropy/entropyweb/prigogine.htm
for other critique and an editorial at http://mdpi.org/entropy/htm/e1010001.htm).
Symmetry is assocd. with the information loss or entropy increase or chaos
based on a new theory, mainly the logarithmic relations of entropy and
symmetry (the higher symmetry-higher entropy relation) for both staticdynamic
systems and the similarity principle [1]. Rosen's symmetry principle [2]
has been proved by the similarity principle [1] and the second law of thermodn.
The similarity principle [1] and the symmetry principle [2] are closely
connected and both are very useful for characterizing structural stability
and process spontaneity Unlike Prigogine's, our results reconcile perfectly
with the second law of thermodn. 1 Lin, S -K Similarity principle (http://mdpi.org/lin/similarity/similarity.htm)
and the citations 2 "The symmetry group of the cause is a subgroup of the
symmetry group of the effect" See: Rosen, J ; 1995; p.191.
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. Publisher:
American Chemical Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting
Abstract written in English. AN 1999:543379 CAPLUS
Abstract
Gibbs Paradox says that entropy of mixing or assembling with the increase
in the property similarity (Figure a). Many authors say it (Figure b).
Based on the rejection of the Gibbs paradox statement (see Figure c, and
Lin, S.-K. 1997, ,145-153, and website http://mdpi.org/lin/similarity/),
the similarity principle has been developed: The higher the property similarity
among the components is, the more spontaneous will be the mixing, the assembling
or the chem. bond formation process, and the more stable will be the mixt.,
the assemblage or the chem. bond.
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. Publisher: American Chemical Society, Washington, D.
C CODEN: 67ZJA5 Conference; Meeting Abstract written in English. AN 1999:543377
CAPLUS
Abstract
Supercond., superfluidity, electronic motion in atoms and mols. or hydrogen
bond in ice are all the phenomena attributed to quantum effect. It is a
fascinating observation that the kinetic motion of electrons in atoms and
mols., or of the particles in any system of quantum effect, is the fastest
at the ground state (not at an excited state!), after the total energy
is exaustively reduced Accoring to the concept of local thermodn. of Ghosh
et al and the fact that the kinetic energy K (consequently the entropy
S) of electronic motion in mols. increases while locally the total energy
E reduces. It is argued that, relative to the conventional thermodn. temp.,
a local thermodn. temp. T of electronic motion can be defined which is
neg. according to the neg. temp. criterion [1-2] This concept is useful
for understanding and generalizing various symmetry breaking phenomena
1 Ramsey, N F Phys Rev 1956, 103, 20-28 2 Kolossvary, I Entropy 1999, 1,
4-8 (http://www.mdpi.org/entropy/list99.htm) and citations.
Similarity rule and complementarity rule. Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26 (1999), ORGN-449. Publisher: American Chemical Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting Abstract written in English. AN 1999:542831 CAPLUS
Abstract
Similarity rule (a component in a mol. recognitionprocess loves others
of alike properties) predicts the affinity of individualsof properties.
On the contrary, various complementarityrules predict the affinity of individuals
of certain oropposite properties. Both types of rule still remain empirical.
I am tryingto use the concept of entropy as information loss [1] to set
up a plausibletheoretical foundation for these rules. In addn. to the well-known
criterionof minimization of energy and of maximization of thermodn. entropybased
on calorimetry, there should be entropy (or usually called informationalentropy)
defined as pure information loss (which cannot be measured bycalorimetry)
based on information theory to explain the obsd. equilibriumconstants.
Information loss happens when either the no. of the information-recordingindividuals
(components) or the no. of their apparent distinguishablespecies of these
individuals decreases. Similarity rule can be explainedby similarity principle
[1] after rejection of Gibbs' and revised relationsof entropy-similarity
[1]. Quant. assessment of the entropy increaseor information loss has been
made possible from the reduced species numberduring process driven by hydrophobic
effect (HE), where components of verysimilar properties assembles together.
Complementarities during all kindsof chem. and phys. interaction, such
as enzyme and substrate combination,hydrogen bond and electrostatic interation,
can be defined and quantitativelycalcd. as parts of reducible information
due to the decrease of thenumbers of the information recording individual
after any successful tightinteraction or combination. Furthermore, similarity
principle conforms withsymmetry principle [1]. Complementarity rules are
related to asymmetry.1. See http://mdpi.org/lin/similarity/similarity.htmand
citations.
3-1-2-1
Ugly symmetry. Lin, Shu-Kun. Molecular Diversity Preservation
International, Basel, Switz. Book of Abstracts, 218th ACS National Meeting,
New Orleans, Aug. 22-26 (1999), ORGN-227. Publisher: American Chemical
Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting Abstract written
in English. AN 1999:542606 CAPLUS
Abstract
"Symmetry is beauty" or "symmetry is a measure of beauty" asa scientific
conception is very misleading and wrong. Symmetry is in principle ugly
because it is assocd. with information loss or entropy increase, based
on my new theory, mainly the logarithmic relations of entropy andsymmetry
for both static and dynamic systems and the similarity principle (see papers
listed at http://www.mdpi.org/lin/lin-rpu.htm, particularly Lin, S. Correlation
of Entropy with Similarity and Symmetry. , 1996, , 367-376). The Greek
word symmetry means "sameness measure". It is therefore closely related
to distinguishability or similarity. Sym. structure is stable but not necessarily
beautiful. All spontaneous processes lead to the highest symmetry which
is the equil. or a state of "death". Life is beautiful but full of asymmetry.
It has certain symmetry for stability reasons. It has been shown by the
history of chem. science and demonstrated by the modern arts of chem.,
particularly org. synthesis, that chemists endeavor to seek for asymmetry
related to both structure and process, not at all for symmetry.
2-3-2
Stereochemical representation by wedges and a one-wedge convention.
Lin, Shu-Kun. linmdpi.org, 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. Publisher:
American Chemical Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting
Abstract written in English. AN 1999:542577 CAPLUS
Abstract
For representing a quadrivalent center of carbon atom, thesolid wedge,
broken wedge, broken line, solid bar, and broken bar and theircombinations
have been used, which may cause confusion and ambiguity. Thehistorical
background of this situation will be given. I found earlierthat only one
solid wedge is enough for a quadrivalent center (Lin, S.-K. ,1992, , 274).
The three normal bondsare imagined as bonds distributed, in a shown order,
on a cone at the oppositeside of the solid wedge. The recent modification
of this one-wedgeconvention (http://www.mdpi.org/lin/wedge/wedge2.htm)will
be discussed. Further suggestions are welcomed.
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. Publisher:
American Chemical Society, Washington, D. C CODEN: 67ZJA5 Conference; Meeting
Abstract written in English. AN 1999:541041 CAPLUS
Abstract
The disposal of old chem. samples is costly and generate environmental
problems. Chemists contribute not only new chemicalknowledge but also new
substances. However, more than 99% of 19,000,000compds. recorded in literature
exist only on paper; they were discardedby chemists. The lost samples cannot
always be reproduced. Reproductionof samples (at least 1/3 of the time
spent by a chemist is for reproductionaccording to literature) is expensive
and time-consuming, and contributesto environmental damage. A professionally
well-purified and stored samplescan be preserved for decades or even longer
(See also S.-K. Lin, 1997,,1-2. Http://www.mdpi.org/mols./edito197.htm;S.-K.
Lin, May 26, 1997, p. Chemicalsamples archives are priceless resources
which can tremendously facilitateand speed-up discovery of all kinds of
new drugs and for the developmentof many other chem. products. They can
also be used as authentic analyticalreference samples for environmental
sciences. It is necessary to carryout worldwide collection, deposit and
exchange of all chem. samples- a project of "samples recycling". The achievement
of the internationalnonprofit organization MDPI (http://www.mdpi.org/)during
the recent 4 yr is reported.
2-2-3
MolBank: Preservation and publication of chemical reaction data.
Lin, Shu-Kun. Molecular Diversity Preservation International, Basel, Switz.
Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26
(1999), CINF-078. Publisher: American Chemical Society, Washington, D.
C CODEN: 67ZJA5 Conference; Meeting Abstract written in English. AN 1999:540444
CAPLUS
Abstract
Mols.(http://mdpi.org/mols./, ISSN 1420-3049) publishes in the section
of MolBank(http://mdpi.org/molbank) very short notes of exptl. data recordsfor
individual mols. Any scattered, unassembled exptl. data forindividual compds.
which is conventionally not publishable is particularlywelcomed, to be
published as one-paper one-page for one structure and givenspecial page
nos. (M1, M2, etc.). They have been published in HTML format, with at least
a formula of the target mol. MDL MOL fileis also included for every MolBank
short notes. All papers submitted forconsideration and publication in this
column of "MolBank" have been refereedand the accepted papers edited (English
cor. and format unified). The related chem. samples are in most cases available
and the availability information is also published. All papers published
in the MolBank section have been indexed andabstracted by several leading
indexing and abstracting services, includingChem. Abstrs.; CAPLUS; Science
Citation Index Expanded; SciSearch,Research Alert; Chem. Citation Index;
Current Contents/Phys., Chem.& Earth Sciences. This is the first
online publication of exptl. chem. I will report the experience and the
planned improvementof the MolBank section and the journal Mols.
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. Publisher: American Chemical Society, Washington, D.
C CODEN: 67ZJA5 Conference; Meeting Abstract written in English. AN 1999:540382
CAPLUS
Abstract
It is suggested that CAS add authors' e-mail addresses, if availablein
the original publications, to the entries.Authors' URL or website addresses
also can be included. These may be treatedas an important part of a full
address. MDPI's journals(http://mdpi.org/mols.) and (http://mdpi.org/entropy)
publishes authors' e-mail address, URL, telephone andfax nos., in addn.
to their full surface mail address. E-mail address isnormally concise,
particularly useful and should be included in abstrs. To include e-mailswill
be of great convenience for readers to request for reprintsand other convenient
contacts with the authors or for discussions. Old e-mail addressmight be
used even if you move to a new place. E-mail is very fast. It is the least
expensive way of communication.Here, I have successfully put. My e-mail
lin dpi.org and URL http://www.mdpi.org/lin/in the author's address of
this abstr. and hope the modulators do not delete them. Some otherarguments
and a summary of the discussions at CHMINF-L mailing list (CHMINF-LLISTSERV.INDIANA.EDU,http://listserv.indiana.edu/archives/chminf-l.html)
during Feb. 1999will be presented.
1-1-1
Guide to the deposit and exchange of compound samples. Lin,
Shu-Kun. Molecular Diversity Preservation International (MDPI), Basel,
Peop. Rep. China. Book of Abstracts, 212th ACS National Meeting, Orlando,
FL, August 25-29 (1996), CHAL-012. Publisher: American Chemical Society,
Washington, D. C CODEN: 63BFAF Conference; Meeting Abstract written in
English. AN 1996:413127 CAPLUS
Abstract
The program of seed and microorganism collections in many countries has been quite successful for biodiversity preservation. For mol. diversity preservation (For literature, visit: http://www.unibas.ch/mdpi/proposal.htm) there should be the coordinated, worldwide collection, deposit, storage and exchange of all the synthetic and natural compds. MDPI prepd. a provisional version of an international treaty, The Treaty on the International Recognition of the Deposit of Compds. for the Purposes of Patent and Publication Procedures, and the assocd. regulations and rules for these activities. In collaboration with the publishing company Springer-Verlag, we publish the first journal, Mols. (visit http://science.springer.de/molec/mol.htm), that encourages authors to submit compd. samples for exchange. The idea of this program is to supply both chem. information as well as the chem. substances themselves. There are several urgent legal issues in this unprecedented project which need to be carefully considered. We suggest that those MDPI-registered samples requested and used should be treated by the users as if the samples were obtained according to published literature, specifically Mols. or therein relevant cited ref.(s), including patents.