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Showing 25 to 36 of 150 entries
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Acute Gastrointestinal Injury and Feeding Intolerance as Prognostic Factors in Critically Ill COVID-19 Patients.

Journal of gastrointestinal surgery : official journal of the Society for Surgery of the Alimentary Tract

Drakos P, Volteas P, Cleri NA, Alkadaa LN, Asencio AA, Oganov A, Pryor A, Talamini M, Rubano J, Bannazadeh M, Mikell CB, Spaniolas K, Mofakham S.
PMID: 33905039
J Gastrointest Surg. 2022 Jan;26(1):181-190. doi: 10.1007/s11605-021-05015-z. Epub 2021 Apr 27.

BACKGROUND: Although acute gastrointestinal injury (AGI) and feeding intolerance (FI) are known independent determinants of worse outcomes and high mortality in intensive care unit (ICU) patients, the incidence of AGI and FI in critically ill COVID-19 patients and their...

The performance of minima hopping and evolutionary algorithms for cluster structure prediction.

The Journal of chemical physics

Schönborn SE, Goedecker S, Roy S, Oganov AR.
PMID: 19368430
J Chem Phys. 2009 Apr 14;130(14):144108. doi: 10.1063/1.3097197.

We compare evolutionary algorithms with minima hopping for global optimization in the field of cluster structure prediction. We introduce a new average offspring recombination operator and compare it with previously used operators. Minima hopping is improved with a softening...

Acute Gastrointestinal Injury and Feeding Intolerance as Prognostic Factors in Critically Ill COVID-19 Patients.

Journal of gastrointestinal surgery : official journal of the Society for Surgery of the Alimentary Tract

Drakos P, Volteas P, Cleri NA, Alkadaa LN, Asencio AA, Oganov A, Pryor A, Talamini M, Rubano J, Bannazadeh M, Mikell CB, Spaniolas K, Mofakham S.
PMID: 33905039
J Gastrointest Surg. 2021 Apr 27; doi: 10.1007/s11605-021-05015-z. Epub 2021 Apr 27.

BACKGROUND: Although acute gastrointestinal injury (AGI) and feeding intolerance (FI) are known independent determinants of worse outcomes and high mortality in intensive care unit (ICU) patients, the incidence of AGI and FI in critically ill COVID-19 patients and their...

Unusual Chemistry of the C-H-N-O System under Pressure and Implications for Giant Planets.

The journal of physical chemistry. A

Naumova AS, Lepeshkin SV, Bushlanov PV, Oganov AR.
PMID: 33938213
J Phys Chem A. 2021 May 13;125(18):3936-3942. doi: 10.1021/acs.jpca.1c00591. Epub 2021 May 02.

C-H-N-O system is central for organic chemistry and biochemistry and plays a major role in planetary science (dominating the composition of "ice giants" Uranus and Neptune). The inexhaustible chemical diversity of this system at normal conditions explains its role...

Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction.

Scientific reports

Kvashnin AG, Kvashnin DG, Oganov AR.
PMID: 31582761
Sci Rep. 2019 Oct 03;9(1):14267. doi: 10.1038/s41598-019-50548-8.

We have predicted stable reconstructions of the (100) and (111) surfaces of NaCl using the global optimization algorithm USPEX. Several new reconstructions, together with the previously reported ones, are found. For the cleaved bare (100) surface, pure Na and...

Collapse modes in simple cubic and body-centered cubic arrangements of elastic beads.

Physical review. E

Ostanin IA, Oganov AR, Magnanimo V.
PMID: 33075924
Phys Rev E. 2020 Sep;102(3):032901. doi: 10.1103/PhysRevE.102.032901.

Collapse modes in compressed simple cubic (SC) and body-centered cubic (BCC) periodic arrangements of elastic frictionless beads were studied numerically using the discrete element method. Under pure hydrostatic compression, the SC arrangement tends to transform into a defective hexagonal...

Primary prevention efforts are poorly developed in people at high cardiovascular risk: A report from the European Society of Cardiology EURObservational Research Programme EUROASPIRE V survey in 16 European countries.

European journal of preventive cardiology

Kotseva K, De Backer G, De Bacquer D, Rydén L, Hoes A, Grobbee D, Maggioni A, Marques-Vidal P, Jennings C, Abreu A, Aguiar C, Badariene J, Bruthans J, Cifkova R, Davletov K, Dilic M, Dolzhenko M, Gaita D, Gotcheva N, Hasan-Ali H, Jankowski P, Lionis C, Mancas S, Milićić D, Mirrakhimov E, Oganov R, Pogosova N, Reiner Ž, Vulić D, Wood D.
PMID: 33966079
Eur J Prev Cardiol. 2021 May 08;28(4):370-379. doi: 10.1177/2047487320908698.

BACKGROUND: European Action on Secondary and Primary Prevention by Intervention to Reduce Events (EUROASPIRE) V in primary care was carried out by the European Society of Cardiology EURObservational Research Programme in 2016-2018. The main objective was to determine whether...

Novel Hydrogen Clathrate Hydrate.

Physical review letters

Wang Y, Glazyrin K, Roizen V, Oganov AR, Chernyshov I, Zhang X, Greenberg E, Prakapenka VB, Yang X, Jiang SQ, Goncharov AF.
PMID: 33416341
Phys Rev Lett. 2020 Dec 18;125(25):255702. doi: 10.1103/PhysRevLett.125.255702.

We report a new hydrogen clathrate hydrate synthesized at 1.2 GPa and 298 K documented by single-crystal x-ray diffraction, Raman spectroscopy, and first-principles calculations. The oxygen sublattice of the new clathrate hydrate matches that of ice II, while hydrogen...

Novel copper fluoride analogs of cuprates.

Physical chemistry chemical physics : PCCP

Rybin N, Novoselov DY, Korotin DM, Anisimov VI, Oganov AR.
PMID: 34318813
Phys Chem Chem Phys. 2021 Aug 04;23(30):15989-15993. doi: 10.1039/d1cp00657f.

On the basis of the first-principles evolutionary crystal structure prediction of stable compounds in the Cu-F system, we predict two experimentally unknown stable phases - Cu2F5 and CuF3. Cu2F5 comprises two interacting magnetic subsystems with Cu atoms in the...

Primary prevention efforts are poorly developed in people at high cardiovascular risk: A report from the European Society of Cardiology EURObservational Research Programme EUROASPIRE V survey in 16 European countries.

European journal of preventive cardiology

Kotseva K, De Backer G, De Bacquer D, Rydén L, Hoes A, Grobbee D, Maggioni A, Marques-Vidal P, Jennings C, Abreu A, Aguiar C, Badariene J, Bruthans J, Cifkova R, Davletov K, Dilic M, Dolzhenko M, Gaita D, Gotcheva N, Hasan-Ali H, Jankowski P, Lionis C, Mancas S, Milićić D, Mirrakhimov E, Oganov R, Pogosova N, Reiner Ž, Vulić D, Wood D.
PMID: 32195597
Eur J Prev Cardiol. 2020 Mar 20;2047487320908698. doi: 10.1177/2047487320908698. Epub 2020 Mar 20.

BACKGROUND: European Action on Secondary and Primary Prevention by Intervention to Reduce Events (EUROASPIRE) V in primary care was carried out by the European Society of Cardiology EURObservational Research Programme in 2016-2018. The main objective was to determine whether...

Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface.

Nanoscale

Lepeshkin S, Baturin V, Tikhonov E, Matsko N, Uspenskii Y, Naumova A, Feya O, Schoonen MA, Oganov AR.
PMID: 27786331
Nanoscale. 2016 Nov 10;8(44):18616-18620. doi: 10.1039/c6nr07504e.

Oxidation of silicon nanoclusters depending on the temperature and oxygen pressure is explored from first principles using the evolutionary algorithm, and structural and thermodynamic analysis. From our calculations of 90 Si

Crystal structure prediction: reflections on present status and challenges.

Faraday discussions

Oganov AR.
PMID: 30306975
Faraday Discuss. 2018 Oct 26;211:643-660. doi: 10.1039/c8fd90033g.

Long thought to be impossible, crystal structure prediction (CSP) is a thriving field today, with many important discoveries in fields as diverse as computational materials discovery, drug design, high-pressure chemistry and mineralogy of the Earth's and planetary interiors. However,...

Showing 25 to 36 of 150 entries