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Showing 1 to 12 of 391 entries
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Genome Sequences of Gordonia Bacteriophages Obliviate, UmaThurman, and Guacamole.

Genome announcements

Pope WH, Akbar AF, Ayers TN, Belohoubek SG, Chung CF, Hartman AC, Kayiti T, Kessler CM, Koman PI, Kotovskiy GA, Morgan TM, Rohac RM, Silva GM, Willis CE, Milliken KA, Shedlock KA, Stanton AC, Toner CL, Furbee EC, Grubb SR, Warner MH, Montgomery MT, Garlena RA, Russell DA, Jacobs-Sera D, Hatfull GF.
PMID: 27365348
Genome Announc. 2016 Jun 30;4(3). doi: 10.1128/genomeA.00595-16.

We describe three newly isolated phages-Obliviate, UmaThurman, and Guacamole-that infect Gordonia terrae 3612. The three genomes are related to one another but are not closely related to other previously sequenced phages or prophages. The three phages are predicted to...

Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function.

Journal of chemical theory and computation

Boguslawski K, Tecmer P, Bultinck P, De Baerdemacker S, Van Neck D, Ayers PW.
PMID: 26584374
J Chem Theory Comput. 2014 Nov 11;10(11):4873-82. doi: 10.1021/ct500759q. Epub 2014 Oct 13.

We introduce new nonvariational orbital optimization schemes for the antisymmetric product of one-reference orbital geminal (AP1roG) wave function (also known as pair-coupled cluster doubles) that are extensions to our recently proposed projected seniority-two (PS2-AP1roG) orbital optimization method [ J....

Recent Bremsstrahlung-based assays of .

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine

Keillor ME, Aalseth CE, Arnquist IJ, Eggemeyer TA, Fuller ES, Glasgow BD, Hoppe EW, Morley SM, Myers AW, Orrell JL, Overman CT, Seifert A, Shaff SM, Thommasson KS.
PMID: 28318931
Appl Radiat Isot. 2017 Aug;126:185-187. doi: 10.1016/j.apradiso.2017.03.001. Epub 2017 Mar 03.

Low-background lead for radiation measurement shielding is often assayed for

Development of a low-level .

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine

Williams RM, Aalseth CE, Brandenberger JM, Day AR, Finn E, Fuller ES, Hoppe EW, Humble PH, Keillor ME, Mace EK, Myers AW, Overman CT, Panisko ME, Seifert A, White SK.
PMID: 28236555
Appl Radiat Isot. 2017 Aug;126:243-248. doi: 10.1016/j.apradiso.2017.02.018. Epub 2017 Feb 17.

This paper describes the generation of

Fractional electron number, temperature, and perturbations in chemical reactions.

Physical chemistry chemical physics : PCCP

Miranda-Quintana RA, Ayers PW.
PMID: 27196980
Phys Chem Chem Phys. 2016 Jun 01;18(22):15070-80. doi: 10.1039/c6cp00939e.

We provide a perspective on the role of non-integer electron number in the density functional theory approach to chemical reactivity (conceptual DFT), emphasizing that it is important to not only treat reagents as open systems, but also as non-isolated...

A pendant proton shuttle on [Fe.

Chemical science

Loewen ND, Thompson EJ, Kagan M, Banales CL, Myers TW, Fettinger JC, Berben LA.
PMID: 28660048
Chem Sci. 2016 Apr 21;7(4):2728-2735. doi: 10.1039/c5sc03169a. Epub 2016 Jan 05.

Proton relays are known to increase reaction rates for H

Screening of cancer tissue arrays identifies CXCR4 on adrenocortical carcinoma: correlates with expression and quantification on metastases using .

Oncotarget

Weiss ID, Huff LM, Evbuomwan MO, Xu X, Dang HD, Velez DS, Singh SP, Zhang HH, Gardina PJ, Lee JH, Lindenberg L, Myers TG, Paik CH, Schrump DS, Pittaluga S, Choyke PL, Fojo T, Farber JM.
PMID: 29088715
Oncotarget. 2017 Aug 04;8(43):73387-73406. doi: 10.18632/oncotarget.19945. eCollection 2017 Sep 26.

Expression of the chemokine receptor CXCR4 by many cancers correlates with aggressive clinical behavior. As part of the initial studies in a project whose goal was to quantify CXCR4 expression on cancers non-invasively, we examined CXCR4 expression in cancer...

Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes.

The journal of physical chemistry. A

Heidar-Zadeh F, Ayers PW, Verstraelen T, Vinogradov I, Vöhringer-Martinez E, Bultinck P.
PMID: 29148815
J Phys Chem A. 2018 May 03;122(17):4219-4245. doi: 10.1021/acs.jpca.7b08966. Epub 2018 Apr 20.

Many population analysis methods are based on the precept that molecules should be built from fragments (typically atoms) that maximally resemble the isolated fragment. The resulting molecular building blocks are intuitive (because they maximally resemble well-understood systems) and transferable...

Effects of Immunomodulators and Biologic Agents on Sexual Health in Patients With Inflammatory Bowel Disease.

The Ochsner journal

Kanar O, Berry AC, Nakshabendi R, Lee AJ, Aldridge P, Myers T, Eid E.
PMID: 28638288
Ochsner J. 2017;17(2):150-156.

BACKGROUND: Although much knowledge has been gained regarding the medical and surgical management of inflammatory bowel disease (IBD), a paucity of information is available on the psychosexual issues related to IBD. The aim of this study was to evaluate...

Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number.

The Journal of chemical physics

Levy M, Anderson JS, Zadeh FH, Ayers PW.
PMID: 24832346
J Chem Phys. 2014 May 14;140(18):18A538. doi: 10.1063/1.4871734.

Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level...

RAD51B Activity and Cell Cycle Regulation in Response to DNA Damage in Breast Cancer Cell Lines.

Breast cancer : basic and clinical research

Lee PS, Fang J, Jessop L, Myers T, Raj P, Hu N, Wang C, Taylor PR, Wang J, Khan J, Jasin M, Chanock SJ.
PMID: 25368520
Breast Cancer (Auckl). 2014 Oct 12;8:135-44. doi: 10.4137/BCBCR.S17766. eCollection 2014.

Common genetic variants mapping to two distinct regions of RAD51B, a paralog of RAD51, have been associated with breast cancer risk in genome-wide association studies (GWAS). RAD51B is a plausible candidate gene because of its established role in the...

Going beyond the three-state ensemble model: the electronic chemical potential and Fukui function for the general case.

Physical chemistry chemical physics : PCCP

Franco-Pérez M, Heidar-Zadeh F, Ayers PW, Gázquez JL, Vela A.
PMID: 28429010
Phys Chem Chem Phys. 2017 May 10;19(18):11588-11602. doi: 10.1039/c7cp00224f.

Making use of the grand canonical ensemble the derivation of the analytical equations for the chemical potential and the Fukui function in the general case of any number of ground and excited states is presented. The expressions thus obtained...

Showing 1 to 12 of 391 entries