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Showing 1 to 12 of 62 entries
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Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.

ACS medicinal chemistry letters

Barsanti PA, Aversa RJ, Jin X, Pan Y, Lu Y, Elling R, Jain R, Knapp M, Lan J, Lin X, Rudewicz P, Sim J, Taricani L, Thomas G, Xiao L, Yue Q.
PMID: 25589927
ACS Med Chem Lett. 2014 Nov 20;6(1):37-41. doi: 10.1021/ml500353p. eCollection 2015 Jan 08.

A saturation strategy focused on improving the selectivity and physicochemical properties of ATR inhibitor HTS hit 1 led to a novel series of highly potent and selective tetrahydropyrazolo[1,5-a]pyrazines. Use of PI3Kα mutants as ATR crystal structure surrogates was instrumental...

Relation Between Solvent Quality and Phase Behavior of Ternary Mixtures of Polymers and Two Solvents that Exhibit Cononsolvency.

The journal of physical chemistry. B

Dudowicz J, Freed KF, Douglas JF.
PMID: 27253170
J Phys Chem B. 2016 Jun 30;120(25):5753-8. doi: 10.1021/acs.jpcb.6b03248. Epub 2016 Jun 21.

The phase boundaries of polymer solutions in mixed solvents can be extremely complex due to the many competing van der Waals and associative interactions that can arise in these ubiquitous and technologically important complex fluids. The present paper focuses...

Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions.

The Journal of chemical physics

Dudowicz J, Freed KF, Douglas JF.
PMID: 26590552
J Chem Phys. 2015 Nov 21;143(19):194901. doi: 10.1063/1.4935705.

We apply our recently developed generalized Flory-Huggins (FH) type theory for the competitive solvation of polymers by two mixed solvents to explain general trends in the variation of phase boundaries and solvent quality (quantified by the second osmotic virial...

The meaning of the "universal" WLF parameters of glass-forming polymer liquids.

The Journal of chemical physics

Dudowicz J, Douglas JF, Freed KF.
PMID: 25573581
J Chem Phys. 2015 Jan 07;142(1):014905. doi: 10.1063/1.4905216.

Although the Williams-Landell-Ferry (WLF) equation for the segmental relaxation time τ(T) of glass-forming materials is one of the most commonly encountered relations in polymer physics, its molecular basis is not well understood. The WLF equation is often claimed to...

The glass transition temperature of polymer melts.

The journal of physical chemistry. B

Dudowicz J, Freed KF, Douglas JF.
PMID: 16853759
J Phys Chem B. 2005 Nov 17;109(45):21285-92. doi: 10.1021/jp0523266.

We develop an analytic theory to estimate the glass transition temperature T(g) of polymer melts as a function of the relative rigidities of the chain backbone and side groups, the monomer structure, pressure, and polymer mass. Our computations are...

Modeling Spectroscopic Properties of Ni.

Applied magnetic resonance

Rudowicz C, Gnutek P, Kimura S, Açıkgöz M, Yeung YY.
PMID: 23914071
Appl Magn Reson. 2013;44:899-915. doi: 10.1007/s00723-013-0448-8. Epub 2013 Mar 31.

Modeling of spin Hamiltonian parameters enables correlation of crystallographic, spectroscopic, and magnetic data for transition ions in crystals. In this paper, based on the crystallographic data and utilizing the point-charge model and superposition model, the crystal field parameters (CFPs)...

Equilibrium polymerization models of re-entrant self-assembly.

The Journal of chemical physics

Dudowicz J, Douglas JF, Freed KF.
PMID: 19405628
J Chem Phys. 2009 Apr 28;130(16):164905. doi: 10.1063/1.3118671.

As is well known, liquid-liquid phase separation can occur either upon heating or cooling, corresponding to lower and upper critical solution phase boundaries, respectively. Likewise, self-assembly transitions from a monomeric state to an organized polymeric state can proceed either...

Comparative analysis of crystal-field parameters for rare-earth ions at monoclinic sites in AB(WO4)2 crystals: I. Tm3+ in KGd(WO4)2 and KLu(WO4)2, and Ho3+ and Er3+ ions in KGd(WO4)2.

Journal of physics. Condensed matter : an Institute of Physics journal

Rudowicz C, Gnutek P.
PMID: 21386316
J Phys Condens Matter. 2010 Feb 03;22(4):045501. doi: 10.1088/0953-8984/22/4/045501. Epub 2010 Jan 05.

The crystal-field (CF) parameters determined by various authors for rare-earth ions at monoclinic sites in AB(WO(4))(2) crystals are reanalyzed using a methodology incorporating several approaches, namely standardization, multiple-correlated fitting technique and closeness of CFP sets. In Part I recent...

Comprehensive approach to the zero-field splitting of S6-state ions: Mn2+ and Fe3+ in fluoroperovskites.

Physical review. B, Condensed matter

Rudowicz C, Wan-Lun Y.
PMID: 10000860
Phys Rev B Condens Matter. 1992 May 01;45(17):9736-9748. doi: 10.1103/physrevb.45.9736.

No abstract available.

Intrinsic properties of the two-point functions of the solid-on-solid interface.

Physical review letters

Ciach A, Dudowicz J, Stecki J.
PMID: 10032683
Phys Rev Lett. 1986 Apr 07;56(14):1482-1484. doi: 10.1103/PhysRevLett.56.1482.

No abstract available.

The High-Resolution 4f-5d Absorption Spectrum of Divalent Dysprosium (Dy.

The journal of physical chemistry. A

Karbowiak M, Rudowicz C, Cichos J.
PMID: 29304287
J Phys Chem A. 2018 Feb 01;122(4):923-928. doi: 10.1021/acs.jpca.7b08620. Epub 2018 Jan 19.

The virtual lack of information on electronic spectra of divalent lanthanide elements (Ln

The invasive proteome of glioblastoma revealed by laser-capture microdissection.

Neuro-oncology advances

Daubon T, Guyon J, Raymond AA, Dartigues B, Rudewicz J, Ezzoukhry Z, Dupuy JW, Herbert JMJ, Saltel F, Bjerkvig R, Nikolski M, Bikfalvi A.
PMID: 32642662
Neurooncol Adv. 2019 Sep 28;1(1):vdz029. doi: 10.1093/noajnl/vdz029. eCollection 2019.

BACKGROUND: Glioblastomas are heterogeneous tumors composed of a necrotic and tumor core and an invasive periphery.METHODS: Here, we performed a proteomics analysis of laser-capture micro-dissected glioblastoma core and invasive areas of patient-derived xenografts.RESULTS: Bioinformatics analysis identified enriched proteins in...

Showing 1 to 12 of 62 entries