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Computational Electrochemistry of Ruthenium Anticancer Agents. Unprecedented Benchmarking of Implicit Solvation Methods.

Journal of chemical theory and computation

Chiorescu I, Deubel DV, Arion VB, Keppler BK.
PMID: 26620790
J Chem Theory Comput. 2008 Mar;4(3):499-506. doi: 10.1021/ct700247g.

Two ruthenium(III) complexes {(HIm)[trans-RuCl4(DMSO)(Im)] (NAMI-A) and (HInd)[trans-RuCl4(Ind)2] (KP1019), DMSO = dimethyl sulfoxide, Im = imidazole, Ind = indazole} have been tested in phase I clinical trials as potential anticancer drugs. Ru(III) anticancer agents are likely activated in vivo upon...

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Chiorescu I, Deubel DV, Arion VB, et al. Computational Electrochemistry of Ruthenium Anticancer Agents. Unprecedented Benchmarking of Implicit Solvation Methods. J Chem Theory Comput. 2008;4(3):499-506doi: 10.1021/ct700247g.
Chiorescu, I., Deubel, D. V., Arion, V. B., & Keppler, B. K. (2008). Computational Electrochemistry of Ruthenium Anticancer Agents. Unprecedented Benchmarking of Implicit Solvation Methods. Journal of chemical theory and computation, 4(3), 499-506. https://doi.org/10.1021/ct700247g
Chiorescu, Ion, et al. "Computational Electrochemistry of Ruthenium Anticancer Agents. Unprecedented Benchmarking of Implicit Solvation Methods." Journal of chemical theory and computation vol. 4,3 (2008): 499-506. doi: https://doi.org/10.1021/ct700247g
Chiorescu I, Deubel DV, Arion VB, Keppler BK. Computational Electrochemistry of Ruthenium Anticancer Agents. Unprecedented Benchmarking of Implicit Solvation Methods. J Chem Theory Comput. 2008 Mar;4(3):499-506. doi: 10.1021/ct700247g. PMID: 26620790.
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Metal-free polymerization of phenylsilane: tris(pentafluorophenyl)borane-catalyzed synthesis of branched polysilanes at elevated temperatures.

Chemistry (Weinheim an der Bergstrasse, Germany)

Feigl A, Chiorescu I, Deller K, Heidsieck SU, Buchner MR, Karttunen V, Bockholt A, Genest A, Rösch N, Rieger B.
PMID: 23893573
Chemistry. 2013 Sep 09;19(37):12526-36. doi: 10.1002/chem.201203139. Epub 2013 Jul 26.

The strong organoborane Lewis acid B(C6F5)3 catalyzes the polymerization of phenylsilane at elevated temperatures forming benzene and SiH4 as side-products. The resulting polymer is a branched polysilane with an irregular substitution pattern, as revealed by 2D NMR spectroscopy. Having...

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Feigl A, Chiorescu I, Deller K, et al. Metal-free polymerization of phenylsilane: tris(pentafluorophenyl)borane-catalyzed synthesis of branched polysilanes at elevated temperatures. Chemistry. 2013;19(37):12526-36doi: 10.1002/chem.201203139.
Feigl, A., Chiorescu, I., Deller, K., Heidsieck, S. U., Buchner, M. R., Karttunen, V., Bockholt, A., Genest, A., Rösch, N., & Rieger, B. (2013). Metal-free polymerization of phenylsilane: tris(pentafluorophenyl)borane-catalyzed synthesis of branched polysilanes at elevated temperatures. Chemistry (Weinheim an der Bergstrasse, Germany), 19(37), 12526-36. https://doi.org/10.1002/chem.201203139
Feigl, Andreas, et al. "Metal-free polymerization of phenylsilane: tris(pentafluorophenyl)borane-catalyzed synthesis of branched polysilanes at elevated temperatures." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 19,37 (2013): 12526-36. doi: https://doi.org/10.1002/chem.201203139
Feigl A, Chiorescu I, Deller K, Heidsieck SU, Buchner MR, Karttunen V, Bockholt A, Genest A, Rösch N, Rieger B. Metal-free polymerization of phenylsilane: tris(pentafluorophenyl)borane-catalyzed synthesis of branched polysilanes at elevated temperatures. Chemistry. 2013 Sep 09;19(37):12526-36. doi: 10.1002/chem.201203139. Epub 2013 Jul 26. PMID: 23893573.
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A magnetic topological semimetal Sr.

Nature materials

Liu JY, Hu J, Zhang Q, Graf D, Cao HB, Radmanesh SMA, Adams DJ, Zhu YL, Cheng GF, Liu X, Phelan WA, Wei J, Jaime M, Balakirev F, Tennant DA, DiTusa JF, Chiorescu I, Spinu L, Mao ZQ.
PMID: 28740190
Nat Mater. 2017 Sep;16(9):905-910. doi: 10.1038/nmat4953. Epub 2017 Jul 24.

Weyl (WSMs) evolve from Dirac semimetals in the presence of broken time-reversal symmetry (TRS) or space-inversion symmetry. The WSM phases in TaAs-class materials and photonic crystals are due to the loss of space-inversion symmetry. For TRS-breaking WSMs, despite numerous...

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Liu JY, Hu J, Zhang Q, et al. A magnetic topological semimetal Sr. Nat Mater. 2017;16(9):905-910doi: 10.1038/nmat4953.
Liu, J. Y., Hu, J., Zhang, Q., Graf, D., Cao, H. B., Radmanesh, S. M. A., Adams, D. J., Zhu, Y. L., Cheng, G. F., Liu, X., Phelan, W. A., Wei, J., Jaime, M., Balakirev, F., Tennant, D. A., DiTusa, J. F., Chiorescu, I., Spinu, L., & Mao, Z. Q. (2017). A magnetic topological semimetal Sr. Nature materials, 16(9), 905-910. https://doi.org/10.1038/nmat4953
Liu, J Y, et al. "A magnetic topological semimetal Sr." Nature materials vol. 16,9 (2017): 905-910. doi: https://doi.org/10.1038/nmat4953
Liu JY, Hu J, Zhang Q, Graf D, Cao HB, Radmanesh SMA, Adams DJ, Zhu YL, Cheng GF, Liu X, Phelan WA, Wei J, Jaime M, Balakirev F, Tennant DA, DiTusa JF, Chiorescu I, Spinu L, Mao ZQ. A magnetic topological semimetal Sr. Nat Mater. 2017 Sep;16(9):905-910. doi: 10.1038/nmat4953. Epub 2017 Jul 24. PMID: 28740190.
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Terahertz Spectroscopy and Imaging: A Cutting-Edge Method for Diagnosing Digestive Cancers.

Materials (Basel, Switzerland)

Danciu M, Alexa-Stratulat T, Stefanescu C, Dodi G, Tamba BI, Mihai CT, Stanciu GD, Luca A, Spiridon IA, Ungureanu LB, Ianole V, Ciortescu I, Mihai C, Stefanescu G, Chirilă I, Ciobanu R, Drug VL.
PMID: 31075912
Materials (Basel). 2019 May 09;12(9). doi: 10.3390/ma12091519.

The Terahertz's wavelength is located between the microwave and the infrared region of the electromagnetic spectrum. Because it is non-ionizing and non-invasive, Terahertz (THz)-based detection represents a very attractive tool for repeated assessments, patient monitoring, and follow-up. Cancer acts...

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Danciu M, Alexa-Stratulat T, Stefanescu C, et al. Terahertz Spectroscopy and Imaging: A Cutting-Edge Method for Diagnosing Digestive Cancers. Materials (Basel). 2019;12(9)doi: 10.3390/ma12091519.
Danciu, M., Alexa-Stratulat, T., Stefanescu, C., Dodi, G., Tamba, B. I., Mihai, C. T., Stanciu, G. D., Luca, A., Spiridon, I. A., Ungureanu, L. B., Ianole, V., Ciortescu, I., Mihai, C., Stefanescu, G., Chirilă, I., Ciobanu, R., & Drug, V. L. (2019). Terahertz Spectroscopy and Imaging: A Cutting-Edge Method for Diagnosing Digestive Cancers. Materials (Basel, Switzerland), 12(9), . https://doi.org/10.3390/ma12091519
Danciu, Mihai, et al. "Terahertz Spectroscopy and Imaging: A Cutting-Edge Method for Diagnosing Digestive Cancers." Materials (Basel, Switzerland) vol. 12,9 (2019). doi: https://doi.org/10.3390/ma12091519
Danciu M, Alexa-Stratulat T, Stefanescu C, Dodi G, Tamba BI, Mihai CT, Stanciu GD, Luca A, Spiridon IA, Ungureanu LB, Ianole V, Ciortescu I, Mihai C, Stefanescu G, Chirilă I, Ciobanu R, Drug VL. Terahertz Spectroscopy and Imaging: A Cutting-Edge Method for Diagnosing Digestive Cancers. Materials (Basel). 2019 May 09;12(9). doi: 10.3390/ma12091519. PMID: 31075912; PMCID: PMC6539301.
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Effect of inulin in the treatment of irritable bowel syndrome with constipation (Review).

Experimental and therapeutic medicine

Bărboi OB, Ciortescu I, Chirilă I, Anton C, Drug V.
PMID: 33101475
Exp Ther Med. 2020 Dec;20(6):185. doi: 10.3892/etm.2020.9315. Epub 2020 Oct 13.

At present, irritable bowel syndrome (IBS) is a common medical problem all over the world that implies considerable social burden and high costs. Considering the different pathophysiological pathways, unitary management for IBS is not possible. Of the therapeutic approaches...

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Bărboi OB, Ciortescu I, Chirilă I, et al. Effect of inulin in the treatment of irritable bowel syndrome with constipation (Review). Exp Ther Med. 2020;20(6):185doi: 10.3892/etm.2020.9315.
Bărboi, O. B., Ciortescu, I., Chirilă, I., Anton, C., & Drug, V. (2020). Effect of inulin in the treatment of irritable bowel syndrome with constipation (Review). Experimental and therapeutic medicine, 20(6), 185. https://doi.org/10.3892/etm.2020.9315
Bărboi, Oana-Bogdana, et al. "Effect of inulin in the treatment of irritable bowel syndrome with constipation (Review)." Experimental and therapeutic medicine vol. 20,6 (2020): 185. doi: https://doi.org/10.3892/etm.2020.9315
Bărboi OB, Ciortescu I, Chirilă I, Anton C, Drug V. Effect of inulin in the treatment of irritable bowel syndrome with constipation (Review). Exp Ther Med. 2020 Dec;20(6):185. doi: 10.3892/etm.2020.9315. Epub 2020 Oct 13. PMID: 33101475; PMCID: PMC7579772.
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Coherent quantum dynamics of a superconducting flux qubit.

Science (New York, N.Y.)

Chiorescu I, Nakamura Y, Harmans CJ, Mooij JE.
PMID: 12589004
Science. 2003 Mar 21;299(5614):1869-71. doi: 10.1126/science.1081045. Epub 2003 Feb 13.

We have observed coherent time evolution between two quantum states of a superconducting flux qubit comprising three Josephson junctions in a loop. The superposition of the two states carrying opposite macroscopic persistent currents is manipulated by resonant microwave pulses....

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Chiorescu I, Nakamura Y, Harmans CJ, et al. Coherent quantum dynamics of a superconducting flux qubit. Science. 2003;299(5614):1869-71doi: 10.1126/science.1081045.
Chiorescu, I., Nakamura, Y., Harmans, C. J., & Mooij, J. E. (2003). Coherent quantum dynamics of a superconducting flux qubit. Science (New York, N.Y.), 299(5614), 1869-71. https://doi.org/10.1126/science.1081045
Chiorescu, I, et al. "Coherent quantum dynamics of a superconducting flux qubit." Science (New York, N.Y.) vol. 299,5614 (2003): 1869-71. doi: https://doi.org/10.1126/science.1081045
Chiorescu I, Nakamura Y, Harmans CJ, Mooij JE. Coherent quantum dynamics of a superconducting flux qubit. Science. 2003 Mar 21;299(5614):1869-71. doi: 10.1126/science.1081045. Epub 2003 Feb 13. PMID: 12589004.
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Physics. Microwave cooling of an artificial atom.

Science (New York, N.Y.)

Chiorescu I.
PMID: 17158308
Science. 2006 Dec 08;314(5805):1549-50. doi: 10.1126/science.1136100.

No abstract available.

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Chiorescu I. Physics. Microwave cooling of an artificial atom. Science. 2006;314(5805):1549-50doi: 10.1126/science.1136100.
Chiorescu, I. (2006). Physics. Microwave cooling of an artificial atom. Science (New York, N.Y.), 314(5805), 1549-50. https://doi.org/10.1126/science.1136100
Chiorescu, Irinel. "Physics. Microwave cooling of an artificial atom." Science (New York, N.Y.) vol. 314,5805 (2006): 1549-50. doi: https://doi.org/10.1126/science.1136100
Chiorescu I. Physics. Microwave cooling of an artificial atom. Science. 2006 Dec 08;314(5805):1549-50. doi: 10.1126/science.1136100. PMID: 17158308.
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Coherent dynamics of a flux qubit coupled to a harmonic oscillator.

Nature

Chiorescu I, Bertet P, Semba K, Nakamura Y, Harmans CJ, Mooij JE.
PMID: 15356624
Nature. 2004 Sep 09;431(7005):159-62. doi: 10.1038/nature02831.

In the emerging field of quantum computation and quantum information, superconducting devices are promising candidates for the implementation of solid-state quantum bits (qubits). Single-qubit operations, direct coupling between two qubits and the realization of a quantum gate have been...

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Chiorescu I, Bertet P, Semba K, et al. Coherent dynamics of a flux qubit coupled to a harmonic oscillator. Nature. 2004;431(7005):159-62doi: 10.1038/nature02831.
Chiorescu, I., Bertet, P., Semba, K., Nakamura, Y., Harmans, C. J., & Mooij, J. E. (2004). Coherent dynamics of a flux qubit coupled to a harmonic oscillator. Nature, 431(7005), 159-62. https://doi.org/10.1038/nature02831
Chiorescu, I, et al. "Coherent dynamics of a flux qubit coupled to a harmonic oscillator." Nature vol. 431,7005 (2004): 159-62. doi: https://doi.org/10.1038/nature02831
Chiorescu I, Bertet P, Semba K, Nakamura Y, Harmans CJ, Mooij JE. Coherent dynamics of a flux qubit coupled to a harmonic oscillator. Nature. 2004 Sep 09;431(7005):159-62. doi: 10.1038/nature02831. PMID: 15356624.
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Biliary Hamartoma.

Clujul medical (1957)

Barboi OB, Moisii LG, Albu-Soda A, Ciortescu I, Drug V.
PMID: 26527984
Clujul Med. 2013;86(4):383-4. Epub 2013 Nov 06.

Biliary hamartoma or von Mayenburg complex (VMCs) is a rare benign congenital malformation of the biliary duct. Patients are usually asymptomatic. Hepatic lesions are incidentally discovered on ultrasonography (US) and subsequent radiological methods are necessary for confirmation. A correct...

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Barboi OB, Moisii LG, Albu-Soda A, et al. Biliary Hamartoma. Clujul Med. 2013;86(4):383-4
Barboi, O. B., Moisii, L. G., Albu-Soda, A., Ciortescu, I., & Drug, V. (2013). Biliary Hamartoma. Clujul medical (1957), 86(4), 383-4.
Barboi, Oana-Bogdana, et al. "Biliary Hamartoma." Clujul medical (1957) vol. 86,4 (2013): 383-4.
Barboi OB, Moisii LG, Albu-Soda A, Ciortescu I, Drug V. Biliary Hamartoma. Clujul Med. 2013;86(4):383-4. Epub 2013 Nov 06. PMID: 26527984; PMCID: PMC4462460.
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π Berry phase and Zeeman splitting of Weyl semimetal TaP.

Scientific reports

Hu J, Liu JY, Graf D, Radmanesh SM, Adams DJ, Chuang A, Wang Y, Chiorescu I, Wei J, Spinu L, Mao ZQ.
PMID: 26726050
Sci Rep. 2016 Jan 04;6:18674. doi: 10.1038/srep18674.

The recent breakthrough in the discovery of Weyl fermions in monopnictide semimetals provides opportunities to explore the exotic properties of relativistic fermions in condensed matter. The chiral anomaly-induced negative magnetoresistance and π Berry phase are two fundamental transport properties...

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Hu J, Liu JY, Graf D, et al. π Berry phase and Zeeman splitting of Weyl semimetal TaP. Sci Rep. 2016;6:18674doi: 10.1038/srep18674.
Hu, J., Liu, J. Y., Graf, D., Radmanesh, S. M., Adams, D. J., Chuang, A., Wang, Y., Chiorescu, I., Wei, J., Spinu, L., & Mao, Z. Q. (2016). π Berry phase and Zeeman splitting of Weyl semimetal TaP. Scientific reports, 618674. https://doi.org/10.1038/srep18674
Hu, J, et al. "π Berry phase and Zeeman splitting of Weyl semimetal TaP." Scientific reports vol. 6 (2016): 18674. doi: https://doi.org/10.1038/srep18674
Hu J, Liu JY, Graf D, Radmanesh SM, Adams DJ, Chuang A, Wang Y, Chiorescu I, Wei J, Spinu L, Mao ZQ. π Berry phase and Zeeman splitting of Weyl semimetal TaP. Sci Rep. 2016 Jan 04;6:18674. doi: 10.1038/srep18674. PMID: 26726050; PMCID: PMC4698660.
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Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System.

ACS omega

Müller K, Foerstendorf H, Steudtner R, Tsushima S, Kumke MU, Lefèvre G, Rothe J, Mason H, Szabó Z, Yang P, Adam CKR, André R, Brennenstuhl K, Chiorescu I, Cho HM, Creff G, Coppin F, Dardenne K, Den Auwer C, Drobot B, Eidner S, Hess NJ, Kaden P, Kremleva A, Kretzschmar J, Krüger S, Platts JA, Panak PJ, Polly R, Powell BA, Rabung T, Redon R, Reiller PE, Rösch N, Rossberg A, Scheinost AC, Schimmelpfennig B, Schreckenbach G, Skerencak-Frech A, Sladkov V, Solari PL, Wang Z, Washton NM, Zhang X.
PMID: 31459906
ACS Omega. 2019 May 03;4(5):8167-8177. doi: 10.1021/acsomega.9b00164. eCollection 2019 May 31.

A comprehensive molecular analysis of a simple aqueous complexing system-U(VI) acetate-selected to be independently investigated by various spectroscopic (vibrational, luminescence, X-ray absorption, and nuclear magnetic resonance spectroscopy) and quantum chemical methods was achieved by an international round-robin test (RRT)....

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Müller K, Foerstendorf H, Steudtner R, et al. Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System. ACS Omega. 2019;4(5):8167-8177doi: 10.1021/acsomega.9b00164.
Müller, K., Foerstendorf, H., Steudtner, R., Tsushima, S., Kumke, M. U., Lefèvre, G., Rothe, J., Mason, H., Szabó, Z., Yang, P., Adam, C. K. R., André, R., Brennenstuhl, K., Chiorescu, I., Cho, H. M., Creff, G., Coppin, F., Dardenne, K., Den Auwer, C., Drobot, B., Eidner, S., Hess, N. J., Kaden, P., Kremleva, A., Kretzschmar, J., Krüger, S., Platts, J. A., Panak, P. J., Polly, R., Powell, B. A., Rabung, T., Redon, R., Reiller, P. E., Rösch, N., Rossberg, A., Scheinost, A. C., Schimmelpfennig, B., Schreckenbach, G., Skerencak-Frech, A., Sladkov, V., Solari, P. L., Wang, Z., Washton, N. M., & Zhang, X. (2019). Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System. ACS omega, 4(5), 8167-8177. https://doi.org/10.1021/acsomega.9b00164
Müller, Katharina, et al. "Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System." ACS omega vol. 4,5 (2019): 8167-8177. doi: https://doi.org/10.1021/acsomega.9b00164
Müller K, Foerstendorf H, Steudtner R, Tsushima S, Kumke MU, Lefèvre G, Rothe J, Mason H, Szabó Z, Yang P, Adam CKR, André R, Brennenstuhl K, Chiorescu I, Cho HM, Creff G, Coppin F, Dardenne K, Den Auwer C, Drobot B, Eidner S, Hess NJ, Kaden P, Kremleva A, Kretzschmar J, Krüger S, Platts JA, Panak PJ, Polly R, Powell BA, Rabung T, Redon R, Reiller PE, Rösch N, Rossberg A, Scheinost AC, Schimmelpfennig B, Schreckenbach G, Skerencak-Frech A, Sladkov V, Solari PL, Wang Z, Washton NM, Zhang X. Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System. ACS Omega. 2019 May 03;4(5):8167-8177. doi: 10.1021/acsomega.9b00164. eCollection 2019 May 31. PMID: 31459906; PMCID: PMC6648335.
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Phonon-assisted tunneling in the quantum regime of Mn12 acetate.

Physical review letters

Chiorescu I, Giraud R, Jansen AG, Caneschi A, Barbara B.
PMID: 11082657
Phys Rev Lett. 2000 Nov 27;85(22):4807-10. doi: 10.1103/PhysRevLett.85.4807.

Longitudinal or transverse magnetic fields applied on a crystal of Mn12 acetate allows one to observe independent tunnel transitions between m = -S+p and m = S-n-p ( n = 6-10, p = 0-2 in longitudinal field and n...

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Chiorescu I, Giraud R, Jansen AG, et al. Phonon-assisted tunneling in the quantum regime of Mn12 acetate. Phys Rev Lett. 2000;85(22):4807-10doi: 10.1103/PhysRevLett.85.4807.
Chiorescu, I., Giraud, R., Jansen, A. G., Caneschi, A., & Barbara, B. (2000). Phonon-assisted tunneling in the quantum regime of Mn12 acetate. Physical review letters, 85(22), 4807-10. https://doi.org/10.1103/PhysRevLett.85.4807
Chiorescu, et al. "Phonon-assisted tunneling in the quantum regime of Mn12 acetate." Physical review letters vol. 85,22 (2000): 4807-10. doi: https://doi.org/10.1103/PhysRevLett.85.4807
Chiorescu I, Giraud R, Jansen AG, Caneschi A, Barbara B. Phonon-assisted tunneling in the quantum regime of Mn12 acetate. Phys Rev Lett. 2000 Nov 27;85(22):4807-10. doi: 10.1103/PhysRevLett.85.4807. PMID: 11082657.
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Showing 1 to 12 of 23 entries