Clariant

About: Clariant is a company organization based out in Muttenz, Switzerland. It is known for research contribution in the topics: Alkyl & Catalysis. The organization has 3593 authors who have published 4486 publications receiving 39034 citations.

Radiation-sensitive resin composition

Abstract: PROBLEM TO BE SOLVED: To obtain a compsn. which can form a good pattern and especially has high adhesion property to a substrate and which can easily be removed not by peeling with a peeling liquid but by dissolution peeling method, by incorporating at least an alkali-soluble resin having a specified compd. as one component of the monomers. SOLUTION: This radiation-sensitive resin compsn. contains an alkali-soluble resin (aniline-modified resin) having a compd. expressed by the formula as one component of the monomers. In the formula, R is a hydroxy group or 1-4C alkyl group, n is 0 or an integer from 1 to 3, and when n is 2 or 3, each R may be same or different. The aniline-modified resin used is usually produced by mixing 0.1 to 60 pts.wt. of the compd. expressed by the formula, 10 to 20 pts.wt. of aldehyde and 1 to 3 pts.wt. of oxalic acid to 100 pts.wt. of phenols and reacting at 85 to 95°C reaction temp. for at least 4 hours. COPYRIGHT: (C)2000,JPO

Alternative (non-animal) methods for cosmetics testing: current status and future prospects—2010

Abstract: Sarah AdlerDavid BasketterStuart CretonOlavi PelkonenJan van BenthemValerie Zuang • Klaus Ejner AndersenAlexandre Angers-LoustauAynur AptulaAnna Bal-PriceEmilio Benfenati • Ulrike BernauerJos BessemsFrederic Y. BoisAlan BoobisEsther BrandonSusanne Bremer • Thomas BroschardSilvia CasatiSandra CoeckeRaffaella CorviMark CroninGeorge Daston • Wolfgang DekantSusan FelterElise GrignardUrsula Gundert-RemyTuula HeinonenIan Kimber • Jos KleinjansHannu KomulainenReinhard KreilingJoachim KreysaSofia Batista LeiteGeorge Loizou • Gavin MaxwellPaolo MazzatortaSharon MunnStefan PfuhlerPascal PhrakonkhamAldert Piersma • Albrecht PothPilar PrietoGuillermo RepettoVera RogiersGreet SchoetersMichael Schwarz • Rositsa SerafimovaHanna TahtiEmanuela TestaiJoost van DelftHenk van LoverenMathieu Vinken • Andrew WorthJose ´-Manuel Zaldivar

A test of crystal structure prediction of small organic molecules

Abstract: A collaborative workshop was held in May 1999 at the Cambridge Crystallographic Data Centre to test how well currently available methods of crystal structure prediction perform when given only the atomic connectivity for an organic compound. A blind test was conducted on a selection of four compounds and a wide range of methodologies representing the principal computer programs currently available were used. There were 11 participants who were allowed to propose at most three structures for each compound. No program gave consistently reliable results. However, seven proposed structures were close to an experimental one and were classified as `correct'. One compound occurred in two polymorphs, but only one form was predicted correctly among the calculated structures. The basic problem with lattice energy based methods of crystal structure prediction is that many structures are found within a few kJ mol−1 of the global minimum. The fine detail of the force-field methodology and parametrization influences the energy ranking within each method. Nevertheless, present methods may be useful in providing a set of structures as possible polymorphs for a given molecular structure.

Crystal structure prediction of small organic molecules: a second blind test

Abstract: The first collaborative workshop on crystal structure prediction (CSP1999) has been followed by a second workshop (CSP2001) held at the Cambridge Crystallographic Data Centre. The 17 participants were given only the chemical diagram for three organic molecules and were invited to test their prediction programs within a range of named common space groups. Several different computer programs were used, using the methodology wherein a molecular model is used to construct theoretical crystal structures in given space groups, and prediction is usually based on the minimum calculated lattice energy. A maximum of three predictions were allowed per molecule. The results showed two correct predictions for the first molecule, four for the second molecule and none for the third molecule (which had torsional flexibility). The correct structure was often present in the sorted low-energy lists from the participants but at a ranking position greater than three. The use of non-indexed powder diffraction data was investigated in a secondary test, after completion of the ab initio submissions. Although no one method can be said to be completely reliable, this workshop gives an objective measure of the success and failure of current methodologies.