38974
2015
2015
eng
1515
1523
9
5
293
article
Springer
New York
1
--
--
--
Polystyrene-block-poly (methoxy diethylene glycol acrylate)-block-polystyrene triblock copolymers in aqueous solution-a SANS study of the temperature-induced switching behavior
A concentrated solution of a symmetric triblock copolymer with a thermoresponsive poly(methoxy diethylene glycol acrylate) (PMDEGA) middle block and short hydrophobic, fully deuterated polystyrene end blocks is investigated in D2O where it undergoes a lower critical solution temperature-type phase transition at ca. 36 A degrees C. Small-angle neutron scattering (SANS) in a wide temperature range (15-50 A degrees C) is used to characterize the size and inner structure of the micelles as well as the correlation between the micelles and the formation of aggregates by the micelles above the cloud point (CP). A model featuring spherical core-shell micelles, which are correlated by a hard-sphere potential or a sticky hard-sphere potential together with a Guinier form factor describing aggregates formed by the micelles above the CP, fits the SANS curves well in the entire temperature range. The thickness of the thermoresponsive micellar PMDEGA shell as well as the hard-sphere radius increase slightly already below the cloud point. Whereas the thickness of the thermoresponsive micellar shell hardly shrinks when heating through the CP and up to 50 A degrees C, the hard-sphere radius decreases within 3.5 K at the CP. The volume fraction decreases already significantly below the CP, which may be at the origin of the previously observed gel-sol transition far below the CP (Miasnikova et al., Langmuir 28: 4479-4490, 2012). Above the CP, small, and at higher temperatures, large aggregates are formed by the micelles.
Colloid and polymer science : official journal of the Kolloid-Gesellschaft
10.1007/s00396-015-3535-6
0303-402X
1435-1536
wos:2015
WOS:000353348000021
Papadakis, CM (reprint author), Tech Univ Munich, Phys Dept, Fachgebiet Phys Weicher Materie, Lehrstuhl Phys Funkt Mat, James Franck Str 1, D-85748 Garching, Germany., papadakis@tum.de
Deutsche Forschungsgemeinschaft (DFG) within the priority program
[SPP1259, Pa771/4, Mu1487/8, La611/7]
Joseph Adelsberger
Achille Mayelle Bivigou Koumba
Anna Miasnikova
Peter Busch
André Laschewsky
Peter Müller-Buschbaum
Christine M. Papadakis
eng
uncontrolled
Hydrogel
eng
uncontrolled
Thermoresponsive
eng
uncontrolled
LCST behavior
eng
uncontrolled
SANS
Institut für Chemie
Referiert
8665
2015
2015
eng
125
doctoralthesis
1
--
--
--
Application of Poly(Ionic Liquid)s for the synthesis of functional carbons
online registration
Potsdam, Univ., Diss., 2015
Martina Ambrogi
Chemie und zugeordnete Wissenschaften
Institut für Chemie
Universität Potsdam
Universität Potsdam
38859
2015
2015
eng
2934
2938
5
18
article
Wiley-VCH
Weinheim
1
--
--
--
Discrete Polymetallic Arrangements of Ag-I and Cu-I Ions Based on Multiple Bridging Phosphane Ligands and pi-pi Interactions
A simple and straightforward approach to new polymetallic Ag-I and Cu-I supramolecules is presented. The reaction of N,P,N,P,N ligand 2 with Ag-I ions affords a trimetallic complex bearing a triangular Ag-3 core; metallophilic interactions are stabilized by ligands that display a multiple bridging coordination mode as 10-electron donors. Heteroleptic polymetallic Ag-I and Cu-I complexes based on ligand 2 and the 1,12-diazaperylene (dape) ligand are obtained by an alternative molecular organization of the polymetallic arrays compared to that in homoleptic complexes of ligand 2.
European journal of inorganic chemistry : a journal of ChemPubSoc Europe
10.1002/ejic.201500445
1434-1948
1099-0682
wos:2015
WOS:000356599600003
Lescop, C (reprint author), Univ Rennes 1, Inst Sci Chim Rennes, CNRS, UMR 6226, Campus Beaulieu, F-35042 Rennes, France., christophe.lescop@univ-rennes1.fr; manfred.scheer@ur.de
National de la Recherche Scientifique (CNRS); Ministere des Affaires
Etrangeres et Europeennes; Agence Nationale de la Recherche (ANR)
[ANR-12-BS07-0004-METALHEL-01]; Campus France; Deutsche
Forschungsgemeinschaft (DFG); COST action PhoSciNet for short-term
scientific mission (STSM) grants; Alexander von Humboldt Foundation
Bianca Attenberger
Mehdi El Sayed Moussa
Thomas Martin Brietzke
Volodimir Vreshch
Hans-Jürgen Holdt
Christophe Lescop
Manfred Scheer
eng
uncontrolled
Heterocycles
eng
uncontrolled
N
eng
uncontrolled
P ligands
eng
uncontrolled
Pi interactions
eng
uncontrolled
Polyaromatic fragments
eng
uncontrolled
Supramolecular chemistry
Institut für Chemie
Referiert
8519
2015
2015
deu
137
doctoralthesis
1
--
--
--
Palladium(II)-Komplexe mit 4,5-Dicyanoimidazol-2-ylidenen
Synthese, Charakterisierung und Anwendung in der Mizoroki-Heck- und der Suzuki-Miyaura-Reaktion
online registration
Potsdam, Univ., Diss., 2015
Heiko Baier
Chemie und zugeordnete Wissenschaften
Institut für Chemie
Universität Potsdam
Universität Potsdam
39036
2015
2015
eng
1950
1957
8
11
article
Wiley-VCH
Weinheim
1
--
--
--
PEPPSI-Effect on Suzuki-Miyaura Reactions Using 4,5-Dicyano-1,3-dimesitylimidazol-2-ylidene-Palladium Complexes: A Comparison between trans-Ligands
The PEPPSI (Pyridine Enhanced Precatalyst Preparation, Stabilization and Initiation) complexes 12-15 with the structure [PdCl2{(CN)(2)IMes}(3-R-py)] (12: R = H; 13: R = Cl; 14: R = Br; 15: R = CN) bearing the maleonitrile-based N-heterocyclic carbene (NHC) (CN)(2)IMes ({(CN)(2)IMes}: 4,5-dicyano-1,3-dimesitylimidazol-2-ylidene) were prepared. Solid state structures of 14 and 15 were obtained. Complexes 14 and 15 adopt a slightly distorted square-planar coordination geometry in the solid state with the substituted pyridine ligand trans to the NHC. Catalytic activities of precatalysts 12-15 were studied and subsequently compared to complexes [PdCl2{(CN)(2)IMes}(PPh3)] (4) and [PdCl(dmba){(CN)(2)IMes}] (5) recently reported by our group in the Suzuki-Miyaura reaction of various aryl halides and phenylboronic acid. Reactions using previously reported [PdCl2(IMes)(py)] (IMes: 1,3-dimesitylimidazol-2-ylidene) (1) were also carried out and their results contrasted to those involving 12-15, 4 and 5. Differences in initiation rates and the catalytically active species related to the seven complexes in regards to the throw away ligand were investigated. Poisoning experiments with mercury show that palladium nanoparticles are responsible for the catalytic activity.
European journal of inorganic chemistry : a journal of ChemPubSoc Europe
10.1002/ejic.201500010
1434-1948
1099-0682
wos:2015
WOS:000352803900012
Holdt, HJ (reprint author), Univ Potsdam, Dept Inorgan Chem, Karl Liebknecht Str 24-25, D-14476 Golm, Germany., Holdt@uni-potsdam.de
Heiko Baier
Alexandra Kelling
Hans-Jürgen Holdt
eng
uncontrolled
Carbene ligands
eng
uncontrolled
Palladium
eng
uncontrolled
Cross-coupling
eng
uncontrolled
Arenes
Institut für Chemie
Referiert
39334
2015
2015
eng
19656
19669
14
29
17
article
Royal Society of Chemistry
Cambridge
1
--
--
--
Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods
Optical properties of modified diamondoids have been studied theoretically using vibrationally resolved electronic absorption, emission and resonance Raman spectra. A time-dependent correlation function approach has been used for electronic two-state models, comprising a ground state (g) and a bright, excited state (e), the latter determined from linear-response, time-dependent density functional theory (TD-DFT). The harmonic and Condon approximations were adopted. In most cases origin shifts, frequency alteration and Duschinsky rotation in excited states were considered. For other cases where no excited state geometry optimization and normal mode analysis were possible or desired, a short-time approximation was used. The optical properties and spectra have been computed for (i) a set of recently synthesized sp(2)/sp(3) hybrid species with CQC double-bond connected saturated diamondoid subunits, (ii) functionalized (mostly by thiol or thione groups) diamondoids and (iii) urotropine and other C-substituted diamondoids. The ultimate goal is to tailor optical and electronic features of diamondoids by electronic blending, functionalization and substitution, based on a molecular-level understanding of the ongoing photophysics.
Physical chemistry, chemical physics : a journal of European Chemical Societies
10.1039/c5cp02615f
26151912
1463-9076
1463-9084
wos:2015
WOS:000358207400083
Saalfrank, P (reprint author), Univ Potsdam, Inst Chem, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany., peter.saalfrank@uni-potsdam.de
DFG [Sa 547/11-1]
Shiladitya Banerjee
Tony Stueker
Peter Saalfrank
Institut für Chemie
Referiert
8682
2015
eng
postprint
1
--
--
--
Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods
Optical properties of modified diamondoids have been studied theoretically using vibrationally resolved electronic absorption, emission and resonance Raman spectra. A time-dependent correlation function approach has been used for electronic two-state models, comprising a ground state (g) and a bright, excited state (e), the latter determined from linear-response, time-dependent density functional theory (TD-DFT). The harmonic and Condon approximations were adopted. In most cases origin shifts, frequency alteration and Duschinsky rotation in excited states were considered. For other cases where no excited state geometry optimization and normal mode analysis were possible or desired, a short-time approximation was used. The optical properties and spectra have been computed for (i) a set of recently synthesized sp2/sp3 hybrid species with C[double bond, length as m-dash]C double-bond connected saturated diamondoid subunits, (ii) functionalized (mostly by thiol or thione groups) diamondoids and (iii) urotropine and other C-substituted diamondoids. The ultimate goal is to tailor optical and electronic features of diamondoids by electronic blending, functionalization and substitution, based on a molecular-level understanding of the ongoing photophysics.
urn:nbn:de:kobv:517-opus4-86826
online registration
https://www.uni-potsdam.de/verlagsarchivweb/html/8682/html/pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp02615f.html
<a href="http://publishup.uni-potsdam.de/opus4-ubp/frontdoor/index/index/docId/8681">Bibliographieeintrag der Originalveröffentlichung/Quelle</a>
Shiladitya Banerjee
Tony Stüker
Peter Saalfrank
Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe
211
Chemie und zugeordnete Wissenschaften
open_access
Institut für Chemie
Referiert
Universität Potsdam
https://publishup.uni-potsdam.de/files/8682/pmnr211.pdf
8681
2015
eng
19656
19669
29
17
article
Royal Society of Chemistry
Cambridge
1
--
2015-07-01
--
Vibrationally resolved optical spectra of modified diamondoids obtained from time-dependent correlation function methods
Optical properties of modified diamondoids have been studied theoretically using vibrationally resolved electronic absorption, emission and resonance Raman spectra. A time-dependent correlation function approach has been used for electronic two-state models, comprising a ground state (g) and a bright, excited state (e), the latter determined from linear-response, time-dependent density functional theory (TD-DFT). The harmonic and Condon approximations were adopted. In most cases origin shifts, frequency alteration and Duschinsky rotation in excited states were considered. For other cases where no excited state geometry optimization and normal mode analysis were possible or desired, a short-time approximation was used. The optical properties and spectra have been computed for (i) a set of recently synthesized sp2/sp3 hybrid species with C[double bond, length as m-dash]C double-bond connected saturated diamondoid subunits, (ii) functionalized (mostly by thiol or thione groups) diamondoids and (iii) urotropine and other C-substituted diamondoids. The ultimate goal is to tailor optical and electronic features of diamondoids by electronic blending, functionalization and substitution, based on a molecular-level understanding of the ongoing photophysics.
Physical chemistry, chemical physics : PCCP ; a journal of European chemical societies
10.1039/C5CP02615F
1463-9084
1463-9076
Au-018918
online registration
<a href="http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-86826">Zweitveröffentlichung in der Schriftenreihe Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe ; 211</a>
Shiladitya Banerjee
Tony Stüker
Peter Saalfrank
Chemie und zugeordnete Wissenschaften
Institut für Chemie
Referiert
Open Access
RSC
8121
2015
eng
5473
5490
6
10
article
Royal Society of Chemistry
Cambridge
1
--
2015-06-13
--
Bridged bicyclic peptides as potential drug scaffolds
Double cyclization of short linear peptides obtained by solid phase peptide synthesis was used to prepare bridged bicyclic peptides (BBPs) corresponding to the topology of bridged bicyclic alkanes such as norbornane. Diastereomeric norbornapeptides were investigated by 1H-NMR, X-ray crystallography and CD spectroscopy and found to represent rigid globular scaffolds stabilized by intramolecular backbone hydrogen bonds with scaffold geometries determined by the chirality of amino acid residues and sharing structural features of β-turns and α-helices. Proteome profiling by capture compound mass spectrometry (CCMS) led to the discovery of the norbornapeptide 27c binding selectively to calmodulin as an example of a BBP protein binder. This and other BBPs showed high stability towards proteolytic degradation in serum.
Chemical Science
synthesis, structure, protein binding and stability
10.1039/C5SC01699A
2041-6520
2041-6539
online registration
<a href="http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-81239">Zweitveröffentlichung in der Schriftenreihe Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe ; 197</a>
Marco Bartoloni
Xian Jin
Maria José Marcaida
Joao Banha
Ivan Dibonaventura
Swathi Bongoni
Kathrin Bartho
Olivia Gräbner
Michael Sefkow
Tamis Darbre
Jean-Louis Reymond
Chemie und zugeordnete Wissenschaften
open_access
Institut für Chemie
Referiert
Open Access
RSC
Universität Potsdam
8123
2015
eng
postprint
1
2015-09-25
--
--
Bridged bicyclic peptides as potential drug scaffolds
Double cyclization of short linear peptides obtained by solid phase peptide synthesis was used to prepare bridged bicyclic peptides (BBPs) corresponding to the topology of bridged bicyclic alkanes such as norbornane. Diastereomeric norbornapeptides were investigated by 1H-NMR, X-ray crystallography and CD spectroscopy and found to represent rigid globular scaffolds stabilized by intramolecular backbone hydrogen bonds with scaffold geometries determined by the chirality of amino acid residues and sharing structural features of β-turns and α-helices. Proteome profiling by capture compound mass spectrometry (CCMS) led to the discovery of the norbornapeptide 27c binding selectively to calmodulin as an example of a BBP protein binder. This and other BBPs showed high stability towards proteolytic degradation in serum.
synthesis, structure, protein binding and stability
urn:nbn:de:kobv:517-opus4-81239
online registration
<a href="http://publishup.uni-potsdam.de/opus4-ubp/frontdoor/index/index/docId/8121">Bibliographieeintrag der Originalveröffentlichung/Quelle</a>
Chem. Sci., 2015, 6, 5473-5490 - DOI: 10.1039/c5sc01699a
Marco Bartoloni
Xian Jin
Maria José Marcaida
Joao Banha
Ivan Dibonaventura
Swathi Bongoni
Kathrin Bartho
Olivia Gräbner
Michael Sefkow
Tamis Darbre
Jean-Louis Reymond
Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe
197
Chemie und zugeordnete Wissenschaften
open_access
Institut für Chemie
Referiert
Open Access
Universität Potsdam
https://publishup.uni-potsdam.de/files/8123/pmnr197.pdf