Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 324 entries
Sorted by: Best Match Show Resources per page
Information needs, seeking behaviors, and support among low-income expectant women

socioeconomic status & related terms (e.g., low income)

Song H, Cramer EM, McRoy S.
GSID: tMRnGrxi6hsJ
H Song, EM Cramer, S McRoy, A May - Women & health, 2013 - Taylor & Francis

… For example, a study of 10 low-income pregnant and … In terms of relationship status, 41% of participants indicated they … Pregnant women of low socioeconomic status may not be able to …

Experimental and computational study of a new wheel-shaped {[W5O21]3[(U(VI)O))2(μ-O2)]3}30- polyoxometalate.

Inorganic chemistry

Miró P, Ling J, Qiu J, Burns PC, Gagliardi L, Cramer CJ.
PMID: 22857707
Inorg Chem. 2012 Aug 20;51(16):8784-90. doi: 10.1021/ic3005536. Epub 2012 Aug 02.

A new wheel-shaped polyoxometalate {[W(5)O(21)](3)[(U(VI)O(2))(2)(μ-O(2))](3)}(30-) has been synthesized and structurally characterized. The calculated electrostatic potential reveals the protonation of several μ-oxo bridges reducing the polyoxometalate total charge. A protonated structure computed at the density functional level of theory (DFT)...

Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine.

The journal of physical chemistry letters

Fischer SA, Cramer CJ, Govind N.
PMID: 27007445
J Phys Chem Lett. 2016 Apr 07;7(7):1387-91. doi: 10.1021/acs.jpclett.6b00282. Epub 2016 Mar 28.

Optical-limiting materials are capable of attenuating light to protect delicate equipment from high-intensity light sources. Phthalocyanines have attracted a lot of attention for optical-limiting applications due to their versatility and large nonlinear absorption. With excited-state absorption (ESA) being the...

Length-Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires.

Journal of the American Chemical Society

Smith CE, Odoh SO, Ghosh S, Gagliardi L, Cramer CJ, Frisbie CD.
PMID: 26575438
J Am Chem Soc. 2015 Dec 23;137(50):15732-41. doi: 10.1021/jacs.5b07400. Epub 2015 Dec 10.

Self-assembled conjugated molecular wires containing thiophene up to 6 nm in length were grown layer-by-layer using click chemistry. Reflection-absorption infrared spectroscopy, ellipsometry and X-ray photoelectron spectroscopy were used to follow the stepwise growth. The electronic structure of the conjugated...

Mechanism of the Polymerization of rac-Lactide by Fast Zinc Alkoxide Catalysts.

Inorganic chemistry

Stasiw DE, Luke AM, Rosen T, League AB, Mandal M, Neisen BD, Cramer CJ, Kol M, Tolman WB.
PMID: 29116765
Inorg Chem. 2017 Nov 20;56(22):14366-14372. doi: 10.1021/acs.inorgchem.7b02544. Epub 2017 Nov 08.

The ring-opening transesterification polymerization (ROTEP) of rac-lactide (rac-LA) using L

Computational electrochemistry: prediction of liquid-phase reduction potentials.

Physical chemistry chemical physics : PCCP

Marenich AV, Ho J, Coote ML, Cramer CJ, Truhlar DG.
PMID: 24958074
Phys Chem Chem Phys. 2014 Aug 07;16(29):15068-106. doi: 10.1039/c4cp01572j. Epub 2014 Jun 24.

This article reviews recent developments and applications in the area of computational electrochemistry. Our focus is on predicting the reduction potentials of electron transfer and other electrochemical reactions and half-reactions in both aqueous and nonaqueous solutions. Topics covered include...

L-Phenylalanine ammonia-lyase fromPhaseolus vulgaris: Modulation of the levels of active enzyme bytrans-cinnamic acid.

Planta

Bolwell GP, Cramer CL, Lamb CJ, Schuch W, Dixon RA.
PMID: 24232434
Planta. 1986 Mar;169(1):97-107. doi: 10.1007/BF01369780.

The extractable activity ofL-phenylalanine ammonia-lyase (PAL; EC 4.3.1.5) in cell suspension cultures of bean (Phaseolus vulgaris) is greatly induced following exposure to an elicitor preparation from the cell walls of the phytopathogenic fungusColletotrichum lindemuthianum. Following exogenous application oftrans-cinnamic acid...

Polarization Effects in Aqueous and Nonaqueous Solutions.

Journal of chemical theory and computation

Marenich AV, Olson RM, Chamberlin AC, Cramer CJ, Truhlar DG.
PMID: 26636201
J Chem Theory Comput. 2007 Nov;3(6):2055-67. doi: 10.1021/ct7001539.

Polarization effects in aqueous and nonaqueous solutions were analyzed for nine neutral and three charged organic solutes by the SM8 universal implicit solvation model and class IV partial atomic charges based on Charge Model 4M (CM4M) with the M06-2X...

Sorting Out the Relative Contributions of Electrostatic Polarization, Dispersion, and Hydrogen Bonding to Solvatochromic Shifts on Vertical Electronic Excitation Energies.

Journal of chemical theory and computation

Marenich AV, Cramer CJ, Truhlar DG.
PMID: 26616084
J Chem Theory Comput. 2010 Sep 14;6(9):2829-44. doi: 10.1021/ct100267s.

Conventional polarized continuum model calculations of solvatochromic shifts on electronic excitation energies using popular quantum chemical programs (e.g., Gaussian or Turbomole) include the noninertial and inertial bulk-solvent polarization, which will be called electrostatics, but not dispersion interactions and specific...

High-throughput imaging method for direct assessment of GM1 ganglioside levels in mammalian cells.

Data in brief

Acosta W, Martin R, Radin DN, Cramer CL.
PMID: 26958633
Data Brief. 2016 Feb 03;6:1016-22. doi: 10.1016/j.dib.2016.01.027. eCollection 2016 Mar.

GM1-gangliosidosis is an inherited autosomal recessive disorder caused by mutations in the gene GLB1, which encodes acid β-galactosidase (β-gal). The lack of activity in this lysosomal enzyme leads to accumulation of GM1 gangliosides (GM1) in cells. We have developed...

Why metal-oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C-H bond strengths. A computational study.

Chemical communications (Cambridge, England)

Klein JE, Dereli B, Que L, Cramer CJ.
PMID: 27489080
Chem Commun (Camb). 2016 Aug 18;52(69):10509-12. doi: 10.1039/c6cc05395e.

1,4-Cyclohexadiene (CHD) and 9,10-dihydroanthracene (DHA) are two substrates used to probe the steric requirements of metal-oxo oxidants in H-atom-transfer (HAT) reactions, based on the assumption that they have comparable C-H bond dissociation enthalpies (BDEs). We use computations to demonstrate...

A self-improved water-oxidation catalyst: is one site really enough?.

Angewandte Chemie (International ed. in English)

López I, Ertem MZ, Maji S, Benet-Buchholz J, Keidel A, Kuhlmann U, Hildebrandt P, Cramer CJ, Batista VS, Llobet A.
PMID: 24259487
Angew Chem Int Ed Engl. 2014 Jan 03;53(1):205-9. doi: 10.1002/anie.201307509. Epub 2013 Nov 20.

The homogeneous catalysis of water oxidation by transition-metal complexes has experienced spectacular development over the last five years. Practical energy-conversion schemes, however, require robust catalysts with large turnover frequencies. Herein we introduce a new oxidatively rugged and powerful dinuclear...

Showing 1 to 12 of 324 entries