Periodic DFT calculations to compute the attributes of a quantum material: honeycomb ruthenium trichloride.

Autor: Koval AM; Simetri Inc., 7005 University Blvd, Winter Park, Florida 32792, USA.; Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee 37830, USA., Jenness GR; Environmental Laboratory, US Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, USA. Manoj.K.Shukla@erdc.dren.mil., Schutt TC; Environmental Laboratory, US Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, USA. Manoj.K.Shukla@erdc.dren.mil., Kosgei GK; Environmental Laboratory, US Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, USA. Manoj.K.Shukla@erdc.dren.mil., Fernando PUAI; Simetri Inc., 7005 University Blvd, Winter Park, Florida 32792, USA., Shukla MK; Environmental Laboratory, US Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, USA. Manoj.K.Shukla@erdc.dren.mil.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Jul 17; Vol. 26 (28), pp. 19369-19379. Date of Electronic Publication: 2024 Jul 17.

Preferential Adsorption of Prominent Amino Acids in the Urease Enzyme of Sporosarcina pasteurii on Arid Soil Components: A Periodic DFT Study.

Autor: Pisani WA; Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee37830, United States.; Environmental Laboratory, US Army Engineer Research and Development Center, Vicksburg, Mississippi39180, United States., Jenness GR; Environmental Laboratory, US Army Engineer Research and Development Center, Vicksburg, Mississippi39180, United States., Schutt TC; Environmental Laboratory, US Army Engineer Research and Development Center, Vicksburg, Mississippi39180, United States., Larson SL; Environmental Laboratory, US Army Engineer Research and Development Center, Vicksburg, Mississippi39180, United States., Shukla MK; Environmental Laboratory, US Army Engineer Research and Development Center, Vicksburg, Mississippi39180, United States.

Publikováno v: Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2022 Nov 08; Vol. 38 (44), pp. 13414-13428. Date of Electronic Publication: 2022 Oct 24.

Green MIP-202(Zr) Catalyst: Degradation and Thermally Robust Biomimetic Sensing of Nerve Agents.

Autor: Sandhu SS; Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States., Kotagiri YG; Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States., Fernando I PUAI; Bennett Aerospace, 1100 Crescent Green, No. 250, Cary, North Carolina 27518, United States., Kalaj M; Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, United States., Tostado N; Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States., Teymourian H; Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States., Alberts EM; Simetri, Inc., 7005 University Boulevard, Winter Park, Florida 32792, United States., Thornell TL; Geotechnical and Structures Laboratory, U.S. Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, United States., Jenness GR; Environmental Laboratory, U.S. Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, United States., Harvey SP; U.S. Army Combat Capabilities and Development Command-Chemical Biological Center (CCDC-CBC), Aberdeen Proving Ground, Maryland 21010, United States., Cohen SM; Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, United States., Moores LC; Environmental Laboratory, U.S. Army Engineer Research and Development Center, 3909 Halls Ferry Road, Vicksburg, Mississippi 39180, United States., Wang J; Department of Nanoengineering, University of California, San Diego, La Jolla, California 92093, United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2021 Nov 03; Vol. 143 (43), pp. 18261-18271. Date of Electronic Publication: 2021 Oct 22.

Multiarmed DNA jumper and metal-organic frameworks–functionalized paper-based bioplatform for small extracellular vesicle–derived miRNAs assay.

Autor: Qiu, Xiaopei¹ (AUTHOR), Yang, Huisi² (AUTHOR), Shen, Man¹ (AUTHOR), Xu, Hanqing¹ (AUTHOR), Wang, Yingran¹ (AUTHOR), Liu, Shuai¹ (AUTHOR), Liu, Qian¹ (AUTHOR), Sun, Minghui¹ (AUTHOR), Ding, Zishan¹ (AUTHOR), Zhang, Ligai¹ (AUTHOR), Wang, Jun¹ (AUTHOR), Liang, Taotao³ (AUTHOR), Luo, Dan⁴ (AUTHOR), Gao, Mingxuan¹ (AUTHOR) mingxuan_gao@163.com, Chen, Ming^1,5 (AUTHOR) chming1971@126.com, Bao, Jing¹ (AUTHOR) baojing_1991@163.com

Publikováno v: Journal of Nanobiotechnology. 5/22/2024, Vol. 22 Issue 1, p1-13. 13p.

Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances.

Autor: Sacchi, M.¹ (AUTHOR) m.sacchi@surrey.ac.uk, Tamtögl, A.² (AUTHOR) tamtoegl@tugraz.at

Publikováno v: Advances in Physics: X. Dec2023, Vol. 8 Issue 1, p1-42. 42p.