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Showing 577 to 586 of 586 entries
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Examining the effects of the COVID-19 pandemic on community engagement for people with mobility disabilities.

Disability and health journal

Koon LM, Greiman L, Schulz JA, Goddard KS, Nzuki IM, Hall JP.
PMID: 34531174
Disabil Health J. 2022 Jan;15(1):101212. doi: 10.1016/j.dhjo.2021.101212. Epub 2021 Sep 01.

BACKGROUND: The COVID-19 pandemic and subsequent mandates upended community participation in the United States. People with disabilities were often more vulnerable to the adverse effects of the pandemic. Some areas of community participation affected for this population include employment,...

Coarse-grained force-field for large scale molecular dynamics simulations of polyacrylamide and polyacrylamide-gels based on quantum mechanics.

Physical chemistry chemical physics : PCCP

Zheng M, Jaramillo-Botero A, Ju XH, Goddard WA.
PMID: 33908933
Phys Chem Chem Phys. 2021 May 14;23(18):10909-10918. doi: 10.1039/d0cp05767c. Epub 2021 Apr 28.

We developed a new coarse-grained (CG) molecular dynamics force field for polyacrylamide (PAM) polymer based on fitting to the quantum mechanics (QM) equation of state (EOS). In this method, all nonbond interactions between representative beads are parameterized using a...

Examining the effects of the COVID-19 pandemic on community engagement for people with mobility disabilities.

Disability and health journal

Koon LM, Greiman L, Schulz JA, Goddard KS, Nzuki IM, Hall JP.
PMID: 34531174
Disabil Health J. 2022 Jan;15(1):101212. doi: 10.1016/j.dhjo.2021.101212. Epub 2021 Sep 01.

BACKGROUND: The COVID-19 pandemic and subsequent mandates upended community participation in the United States. People with disabilities were often more vulnerable to the adverse effects of the pandemic. Some areas of community participation affected for this population include employment,...

Leftover narcotic analgesics among emergency department patients and methods of disposal.

Journal of the American College of Emergency Physicians open

Yang C, Stilley JAW, Bedy SC, Goddard KB, Sampson CS.
PMID: 33392554
J Am Coll Emerg Physicians Open. 2020 Jun 30;1(6):1486-1492. doi: 10.1002/emp2.12161. eCollection 2020 Dec.

OBJECTIVE: Given the increase in narcotic addiction and diversion, understanding how patients use their opioid prescriptions and store or dispose of any remainders is important. We set out to determine the frequency in which patients had leftover opioid quantities...

The L-G phase transition in binary Cu-Zr metallic liquids.

Physical chemistry chemical physics : PCCP

An Q, Johnson WL, Samwer K, Corona SL, Shen Y, Goddard WA.
PMID: 34904146
Phys Chem Chem Phys. 2021 Dec 22;24(1):497-506. doi: 10.1039/d1cp04157f.

The authors recently reported that undercooled liquid Ag and Ag-Cu alloys both exhibit a first order phase transition from the homogeneous liquid (L-phase) to a heterogeneous solid-like G-phase under isothermal evolution. Here, we report a similar L-G transition and...

The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium-Metal Anode Surface.

The journal of physical chemistry letters

Liu Y, Yu P, Wu Y, Yang H, Xie M, Huai L, Goddard WA, Cheng T.
PMID: 33502211
J Phys Chem Lett. 2021 Feb 04;12(4):1300-1306. doi: 10.1021/acs.jpclett.0c03720. Epub 2021 Jan 27.

The high energy density and suitable operating voltage make rechargeable lithium ion batteries (LIBs) promising candidates to replace such conventional energy storage devices as nonrechargeable batteries. However, the large-scale commercialization of LIBs is impeded significantly by the degradation of...

Selective CO.

Journal of the American Chemical Society

Wang J, Cheng T, Fenwick AQ, Baroud TN, Rosas-Hernández A, Ko JH, Gan Q, Goddard WA, Grubbs RH.
PMID: 33570392
J Am Chem Soc. 2021 Feb 24;143(7):2857-2865. doi: 10.1021/jacs.0c12478. Epub 2021 Feb 11.

Electrochemical CO

Deformation and Failure Mechanisms of Thermoelectric Type-I Clathrate Ba.

ACS applied materials & interfaces

Zhang X, Zhai P, Huang X, Morozov SI, Duan B, Li W, Chen G, Li G, Goddard WA.
PMID: 35018776
ACS Appl Mater Interfaces. 2022 Jan 12; doi: 10.1021/acsami.1c22730. Epub 2022 Jan 12.

Type-I clathrate Ba

Design of robust 2,2'-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces.

Physical chemistry chemical physics : PCCP

Johnson SI, Blakemore JD, Brunschwig BS, Lewis NS, Gray HB, Goddard WA, Persson P.
PMID: 33908502
Phys Chem Chem Phys. 2021 Apr 28;23(16):9921-9929. doi: 10.1039/d1cp00545f.

The attachment of the 2,2'-bipyridine (bpy) moieties to the surface of planar silicon(111) (photo)electrodes was investigated using ab initio simulations performed on a new cluster model for methyl-terminated silicon. Density functional theory (B3LYP) with implicit solvation techniques indicated that...

Barriers to family history knowledge and family communication among LGBTQ+ individuals in the context of hereditary cancer risk assessment.

Journal of genetic counseling

Rolf BA, Schneider JL, Amendola LM, Davis JV, Mittendorf KF, Schmidt MA, Jarvik GP, Wilfond BS, Goddard KAB, Ezzell Hunter J.
PMID: 34302314
J Genet Couns. 2021 Jul 23; doi: 10.1002/jgc4.1476. Epub 2021 Jul 23.

Openness about identity as lesbian, gay, bisexual, transgender, queer, and other sexual orientations and gender identities (LGBTQ+) may cause strain on relationships between family members, which could lead to limited knowledge of cancer family history and reduced communication with...

Showing 577 to 586 of 586 entries