Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 54

1.

Towards a stronger halogen bond involving astatine: unexpected adduct with Bu3PO stabilized by hydrogen bonding.

Liu L, Guo N, Champion J, Graton J, Montavon G, Galland N, Maurice R.

Chemistry. 2019 Dec 27. doi: 10.1002/chem.201905389. [Epub ahead of print]

PMID:
31881101
2.

On the Interplay between Charge-Shift Bonding and Halogen Bonding.

Sarr S, Graton J, Montavon G, Pilmé J, Galland N.

Chemphyschem. 2019 Dec 2. doi: 10.1002/cphc.201901023. [Epub ahead of print]

PMID:
31793159
3.

Machine learning analysis of DNA methylation profiles distinguishes primary lung squamous cell carcinomas from head and neck metastases.

Jurmeister P, Bockmayr M, Seegerer P, Bockmayr T, Treue D, Montavon G, Vollbrecht C, Arnold A, Teichmann D, Bressem K, Schüller U, von Laffert M, Müller KR, Capper D, Klauschen F.

Sci Transl Med. 2019 Sep 11;11(509). pii: eaaw8513. doi: 10.1126/scitranslmed.aaw8513.

PMID:
31511427
4.

Smectite fraction assessment in complex natural clay rocks from interlayer water content determined by thermogravimetric and thermoporometry analysis.

Grekov D, Montavon G, Robinet JC, Grambow B.

J Colloid Interface Sci. 2019 Nov 1;555:157-165. doi: 10.1016/j.jcis.2019.07.076. Epub 2019 Jul 26.

PMID:
31377641
5.

Flow period influence on uranium and trace elements release in water from the waste rock pile of the former La Commanderie uranium mine (France).

Martin A, Landesman C, Lépinay A, Roux C, Champion J, Chardon P, Montavon G.

J Environ Radioact. 2019 Nov;208-209:106010. doi: 10.1016/j.jenvrad.2019.106010. Epub 2019 Jul 11.

PMID:
31302578
6.

In vivo resorption of injectable apatitic calcium phosphate cements: Critical role of the intergranular microstructure.

Le Ferrec M, Mellier C, Lefèvre FX, Boukhechba F, Janvier P, Montavon G, Bouler JM, Gauthier O, Bujoli B.

J Biomed Mater Res B Appl Biomater. 2020 Feb;108(2):367-376. doi: 10.1002/jbm.b.34395. Epub 2019 Apr 29.

PMID:
31033211
7.

Unmasking Clever Hans predictors and assessing what machines really learn.

Lapuschkin S, Wäldchen S, Binder A, Montavon G, Samek W, Müller KR.

Nat Commun. 2019 Mar 11;10(1):1096. doi: 10.1038/s41467-019-08987-4.

8.

A new rapid protocol for 226Ra separation and preconcentration in natural water samples using molecular recognition technology for ICP-MS analysis.

Verlinde M, Gorny J, Montavon G, Khalfallah S, Boulet B, Augeray C, Larivière D, Dalencourt C, Gourgiotis A.

J Environ Radioact. 2019 Jun;202:1-7. doi: 10.1016/j.jenvrad.2019.02.003. Epub 2019 Feb 14.

PMID:
30771696
9.

Computational analysis reveals histotype-dependent molecular profile and actionable mutation effects across cancers.

Heim D, Montavon G, Hufnagl P, Müller KR, Klauschen F.

Genome Med. 2018 Nov 15;10(1):83. doi: 10.1186/s13073-018-0591-9.

10.

Spin-orbit coupling as a probe to decipher halogen bonding.

Graton J, Rahali S, Le Questel JY, Montavon G, Pilmé J, Galland N.

Phys Chem Chem Phys. 2018 Dec 5;20(47):29616-29624. doi: 10.1039/c8cp05690k.

PMID:
30318527
11.

Coupling a gamma-ray detector with asymmetrical flow field flow fractionation (AF4): Application to a drug-delivery system for alpha-therapy.

Huclier-Markai S, Grivaud-Le Du A, N'tsiba E, Montavon G, Mougin-Degraef M, Barbet J.

J Chromatogr A. 2018 Oct 26;1573:107-114. doi: 10.1016/j.chroma.2018.08.065. Epub 2018 Sep 1.

PMID:
30224278
12.

Is Polonium-210 a Good Indicator for Anthropogenic Radioactivity?

Younes A, Alliot C, Mokili M, Montavon G.

Cancer Biother Radiopharm. 2018 Oct;33(8):356-360. doi: 10.1089/cbr.2018.2496. Epub 2018 Aug 8.

PMID:
30088970
13.

Evidence for the Heaviest Expected Halide Species in Aqueous Solution, At-, by Electromobility Measurements.

Guo N, Pottier F, Aupiais J, Alliot C, Montavon G, Champion J.

Inorg Chem. 2018 May 7;57(9):4926-4933. doi: 10.1021/acs.inorgchem.7b03003. Epub 2018 Apr 13.

PMID:
29652492
14.

Experimental and computational evidence of halogen bonds involving astatine.

Guo N, Maurice R, Teze D, Graton J, Champion J, Montavon G, Galland N.

Nat Chem. 2018 Apr;10(4):428-434. doi: 10.1038/s41557-018-0011-1. Epub 2018 Mar 19.

PMID:
29556053
15.

Towards speciation of organically bound tritium and deuterium: Quantification of non-exchangeable forms in carbohydrate molecules.

Péron O, Fourré E, Pastor L, Gégout C, Reeves B, Lethi HH, Rousseau G, Baglan N, Landesman C, Siclet F, Montavon G.

Chemosphere. 2018 Apr;196:120-128. doi: 10.1016/j.chemosphere.2017.12.136. Epub 2017 Dec 28.

PMID:
29294425
16.

"What is relevant in a text document?": An interpretable machine learning approach.

Arras L, Horn F, Montavon G, Müller KR, Samek W.

PLoS One. 2017 Aug 11;12(8):e0181142. doi: 10.1371/journal.pone.0181142. eCollection 2017.

17.

Investigation of a new "N2S2O2" chelating agent with high Po(iv) affinity.

Younes A, Montavon G, Gouin SG, André-Joyaux E, Peumery R, Chalopin T, Alliot C, Mokili M, Champion J, Deniaud D.

Chem Commun (Camb). 2017 Jun 13;53(48):6492-6495. doi: 10.1039/c7cc03198j.

PMID:
28569323
18.

Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates.

Teze D, Sergentu DC, Kalichuk V, Barbet J, Deniaud D, Galland N, Maurice R, Montavon G.

Sci Rep. 2017 May 31;7(1):2579. doi: 10.1038/s41598-017-02614-2.

19.

Unraveling the hydration-induced ground-state change of AtO+ by relativistic and multiconfigurational wave-function-based methods.

Sergentu DC, Réal F, Montavon G, Galland N, Maurice R.

Phys Chem Chem Phys. 2016 Dec 7;18(48):32703-32712.

PMID:
27840883
20.

The Heaviest Possible Ternary Trihalogen Species, IAtBr- , Evidenced in Aqueous Solution: An Experimental Performance Driven by Computations.

Guo N, Sergentu DC, Teze D, Champion J, Montavon G, Galland N, Maurice R.

Angew Chem Int Ed Engl. 2016 Dec 5;55(49):15369-15372. doi: 10.1002/anie.201608746. Epub 2016 Nov 2.

PMID:
27805777
21.

Evaluating the Visualization of What a Deep Neural Network Has Learned.

Samek W, Binder A, Montavon G, Lapuschkin S, Muller KR.

IEEE Trans Neural Netw Learn Syst. 2017 Nov;28(11):2660-2673. doi: 10.1109/TNNLS.2016.2599820.

PMID:
27576267
22.

(211)At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds.

Ayed T, Pilmé J, Tézé D, Bassal F, Barbet J, Chérel M, Champion J, Maurice R, Montavon G, Galland N.

Eur J Med Chem. 2016 Jun 30;116:156-164. doi: 10.1016/j.ejmech.2016.03.082. Epub 2016 Mar 29.

PMID:
27061979
23.

Scrutinizing "Invisible" astatine: A challenge for modern density functionals.

Sergentu DC, David G, Montavon G, Maurice R, Galland N.

J Comput Chem. 2016 Jun 5;37(15):1345-54. doi: 10.1002/jcc.24326. Epub 2016 Apr 5.

PMID:
27059181
24.

Advances on the Determination of the Astatine Pourbaix Diagram: Predomination of AtO(OH)2 (-) over At(-) in Basic Conditions.

Sergentu DC, Teze D, Sabatié-Gogova A, Alliot C, Guo N, Bassal F, Silva ID, Deniaud D, Maurice R, Champion J, Galland N, Montavon G.

Chemistry. 2016 Feb 24;22(9):2964-71. doi: 10.1002/chem.201504403. Epub 2016 Jan 15.

PMID:
26773333
25.

QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations.

Pilmé J, Renault E, Bassal F, Amaouch M, Montavon G, Galland N.

J Chem Theory Comput. 2014 Nov 11;10(11):4830-41. doi: 10.1021/ct500762n. Epub 2014 Oct 9.

PMID:
26584370
26.

On Pixel-Wise Explanations for Non-Linear Classifier Decisions by Layer-Wise Relevance Propagation.

Bach S, Binder A, Montavon G, Klauschen F, Müller KR, Samek W.

PLoS One. 2015 Jul 10;10(7):e0130140. doi: 10.1371/journal.pone.0130140. eCollection 2015.

27.

Design and properties of novel gallium-doped injectable apatitic cements.

Mellier C, Fayon F, Boukhechba F, Verron E, LeFerrec M, Montavon G, Lesoeur J, Schnitzler V, Massiot D, Janvier P, Gauthier O, Bouler JM, Bujoli B.

Acta Biomater. 2015 Sep;24:322-32. doi: 10.1016/j.actbio.2015.05.027. Epub 2015 Jun 12.

PMID:
26074157
28.

Effective bond orders from two-step spin-orbit coupling approaches: the I2, At2, IO(+), and AtO(+) case studies.

Maurice R, Réal F, Gomes AS, Vallet V, Montavon G, Galland N.

J Chem Phys. 2015 Mar 7;142(9):094305. doi: 10.1063/1.4913738.

PMID:
25747079
29.

Wild-type ALK and activating ALK-R1275Q and ALK-F1174L mutations upregulate Myc and initiate tumor formation in murine neural crest progenitor cells.

Montavon G, Jauquier N, Coulon A, Peuchmaur M, Flahaut M, Bourloud KB, Yan P, Delattre O, Sommer L, Joseph JM, Janoueix-Lerosey I, Gross N, Mühlethaler-Mottet A.

Oncotarget. 2014 Jun 30;5(12):4452-66.

30.

Rationalization of the solvation effects on the AtO+ ground-state change.

Ayed T, Réal F, Montavon G, Galland N.

J Phys Chem B. 2013 Sep 12;117(36):10589-95. doi: 10.1021/jp406803e. Epub 2013 Aug 28.

PMID:
23944251
31.

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.

Hansen K, Montavon G, Biegler F, Fazli S, Rupp M, Scheffler M, von Lilienfeld OA, Tkatchenko A, Müller KR.

J Chem Theory Comput. 2013 Aug 13;9(8):3404-19. doi: 10.1021/ct400195d. Epub 2013 Jul 30.

PMID:
26584096
32.

How does the solvation unveil AtO+ reactivity?

Ayed T, Seydou M, Réal F, Montavon G, Galland N.

J Phys Chem B. 2013 May 2;117(17):5206-11. doi: 10.1021/jp401759p. Epub 2013 Apr 12.

PMID:
23537101
33.

Investigation of astatine(III) hydrolyzed species: experiments and relativistic calculations.

Champion J, Sabatié-Gogova A, Bassal F, Ayed T, Alliot C, Galland N, Montavon G.

J Phys Chem A. 2013 Mar 7;117(9):1983-90. doi: 10.1021/jp3099413. Epub 2013 Feb 20.

PMID:
23373677
34.

Introducing the ELF Topological Analysis in the Field of Quasirelativistic Quantum Calculations.

Pilmé J, Renault E, Ayed T, Montavon G, Galland N.

J Chem Theory Comput. 2012 Sep 11;8(9):2985-90. doi: 10.1021/ct300558k. Epub 2012 Aug 27.

PMID:
26605711
35.

DTPA complexation of bismuth in human blood serum.

Montavon G, Le Du A, Champion J, Rabung T, Morgenstern A.

Dalton Trans. 2012 Jul 28;41(28):8615-23. doi: 10.1039/c2dt30230f. Epub 2012 Jun 7.

PMID:
22678751
36.

Review of chemical and radiotoxicological properties of polonium for internal contamination purposes.

Ansoborlo E, Berard P, Den Auwer C, Leggett R, Menetrier F, Younes A, Montavon G, Moisy P.

Chem Res Toxicol. 2012 Aug 20;25(8):1551-64. doi: 10.1021/tx300072w. Epub 2012 Jun 12. Review.

PMID:
22530998
37.

Characterization of At- species in simple and biological media by high performance anion exchange chromatography coupled to gamma detector.

Sabatié-Gogova A, Champion J, Huclier S, Michel N, Pottier F, Galland N, Asfari Z, Chérel M, Montavon G.

Anal Chim Acta. 2012 Apr 6;721:182-8. doi: 10.1016/j.aca.2012.01.052. Epub 2012 Feb 2.

38.

Is DTPA a good competing chelating agent for Th(IV) in human serum and suitable in targeted alpha therapy?

Le Du A, Sabatié-Gogova A, Morgenstern A, Montavon G.

J Inorg Biochem. 2012 Apr;109:82-9. doi: 10.1016/j.jinorgbio.2011.12.011. Epub 2011 Dec 30.

PMID:
22388013
39.

Sorption speciation of nickel(II) onto Ca-montmorillonite: batch, EXAFS techniques and modeling.

Tan X, Hu J, Montavon G, Wang X.

Dalton Trans. 2011 Nov 7;40(41):10953-60. doi: 10.1039/c1dt10740b. Epub 2011 Sep 14.

PMID:
21918750
40.

Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution.

Champion J, Seydou M, Sabatié-Gogova A, Renault E, Montavon G, Galland N.

Phys Chem Chem Phys. 2011 Sep 7;13(33):14984-92. doi: 10.1039/c1cp20512a. Epub 2011 Jul 18.

PMID:
21769335
41.

Investigation of alendronate-doped apatitic cements as a potential technology for the prevention of osteoporotic hip fractures: critical influence of the drug introduction mode on the in vitro cement properties.

Schnitzler V, Fayon F, Despas C, Khairoun I, Mellier C, Rouillon T, Massiot D, Walcarius A, Janvier P, Gauthier O, Montavon G, Bouler JM, Bujoli B.

Acta Biomater. 2011 Feb;7(2):759-70. doi: 10.1016/j.actbio.2010.09.017. Epub 2010 Sep 18.

PMID:
20854940
42.

Investigation of para-sulfonatocalix[n]arenes [n = 6, 8] as potential chelates for (230)U.

Montavon G, Repinc U, Apostolidis C, Bruchertseifer F, Abbas K, Morgenstern A.

Dalton Trans. 2010 Feb 7;39(5):1366-74. doi: 10.1039/b918426k. Epub 2009 Dec 2.

PMID:
20104364
43.

Astatine standard redox potentials and speciation in acidic medium.

Champion J, Alliot C, Renault E, Mokili BM, Chérel M, Galland N, Montavon G.

J Phys Chem A. 2010 Jan 14;114(1):576-82. doi: 10.1021/jp9077008.

PMID:
20014840
44.

Spectroscopic study of the interaction of U(VI) with transferrin and albumin for speciation of U(VI) under blood serum conditions.

Montavon G, Apostolidis C, Bruchertseifer F, Repinc U, Morgenstern A.

J Inorg Biochem. 2009 Dec;103(12):1609-16. doi: 10.1016/j.jinorgbio.2009.08.010. Epub 2009 Sep 2.

PMID:
19800129
45.

Sorption of Eu(III) on attapulgite studied by batch, XPS, and EXAFS techniques.

Fan QH, Tan XL, Li JX, Wang XK, Wu WS, Montavon G.

Environ Sci Technol. 2009 Aug 1;43(15):5776-82.

PMID:
19731676
46.

Quantitative description and local structures of trivalent metal ions Eu(III) and Cm(III) complexed with polyacrylic acid.

Montavon G, Bouby M, Huclier-Markai S, Grambow B, Geckeis H, Rabung T, Pashalidis I, Amekraz B, Moulin C.

J Colloid Interface Sci. 2008 Nov 15;327(2):324-32. doi: 10.1016/j.jcis.2008.08.037. Epub 2008 Aug 23.

PMID:
18789451
47.

Modeling the complexation properties of mineral-bound organic polyelectrolyte: an attempt at comprehension using the model system alumina/polyacrylic acid/M (M=Eu, Cm, Gd).

Montavon G, Markai S, Ribet S, Rabung T, Geckeis H, Grambow B.

J Colloid Interface Sci. 2007 Jan 1;305(1):32-9. Epub 2006 Oct 25.

PMID:
17067609
48.

Study of the interaction of Ni2+ and Cs+ on MX-80 bentonite; effect of compaction using the "capillary method".

Montavon G, Alhajji E, Grambow B.

Environ Sci Technol. 2006 Aug 1;40(15):4672-9.

PMID:
16913123
49.

Comparison of complexed species of Eu in alumina-bound and free polyacrylic acid: a spectroscopic study.

Montavon G, Hennig C, Janvier P, Grambow B.

J Colloid Interface Sci. 2006 Aug 15;300(2):482-90. Epub 2006 Apr 25.

PMID:
16716342
50.

Study of the interaction between europium (III) and Bacillus subtilis: fixation sites, biosorption modeling and reversibility.

Markai S, Andrès Y, Montavon G, Grambow B.

J Colloid Interface Sci. 2003 Jun 15;262(2):351-61.

PMID:
16256615

Supplemental Content

Loading ...
Support Center