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Intracellular Ca(2+) signaling: A novel player in the canonical mTOR-controlled autophagy pathway.

Communicative & integrative biology

Decuypere JP, Paudel RC, Parys J, Bultynck G.
PMID: 24265855
Commun Integr Biol. 2013 Sep 01;6(5):e25429. doi: 10.4161/cib.25429. Epub 2013 Jun 25.

Functional intracellular Ca(2+) signaling is essential for the upregulation of the canonical mTOR-controlled autophagy pathway triggered by rapamycin or by nutrient deprivation. Moreover, modifications in the Ca(2+)-signaling machinery coincide with autophagy stimulation. This results in enhanced intracellular Ca(2+) signaling...

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Decuypere JP, Paudel RC, Parys J, et al. Intracellular Ca(2+) signaling: A novel player in the canonical mTOR-controlled autophagy pathway. Commun Integr Biol. 2013;6(5):e25429doi: 10.4161/cib.25429.
Decuypere, J. P., Paudel, R. C., Parys, J., & Bultynck, G. (2013). Intracellular Ca(2+) signaling: A novel player in the canonical mTOR-controlled autophagy pathway. Communicative & integrative biology, 6(5), e25429. https://doi.org/10.4161/cib.25429
Decuypere, Jean-Paul, et al. "Intracellular Ca(2+) signaling: A novel player in the canonical mTOR-controlled autophagy pathway." Communicative & integrative biology vol. 6,5 (2013): e25429. doi: https://doi.org/10.4161/cib.25429
Decuypere JP, Paudel RC, Parys J, Bultynck G. Intracellular Ca(2+) signaling: A novel player in the canonical mTOR-controlled autophagy pathway. Commun Integr Biol. 2013 Sep 01;6(5):e25429. doi: 10.4161/cib.25429. Epub 2013 Jun 25. PMID: 24265855; PMCID: PMC3829968.
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Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function.

Journal of chemical theory and computation

Boguslawski K, Tecmer P, Bultinck P, De Baerdemacker S, Van Neck D, Ayers PW.
PMID: 26584374
J Chem Theory Comput. 2014 Nov 11;10(11):4873-82. doi: 10.1021/ct500759q. Epub 2014 Oct 13.

We introduce new nonvariational orbital optimization schemes for the antisymmetric product of one-reference orbital geminal (AP1roG) wave function (also known as pair-coupled cluster doubles) that are extensions to our recently proposed projected seniority-two (PS2-AP1roG) orbital optimization method [ J....

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Boguslawski K, Tecmer P, Bultinck P, et al. Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function. J Chem Theory Comput. 2014;10(11):4873-82doi: 10.1021/ct500759q.
Boguslawski, K., Tecmer, P., Bultinck, P., De Baerdemacker, S., Van Neck, D., & Ayers, P. W. (2014). Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function. Journal of chemical theory and computation, 10(11), 4873-82. https://doi.org/10.1021/ct500759q
Boguslawski, Katharina, et al. "Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function." Journal of chemical theory and computation vol. 10,11 (2014): 4873-82. doi: https://doi.org/10.1021/ct500759q
Boguslawski K, Tecmer P, Bultinck P, De Baerdemacker S, Van Neck D, Ayers PW. Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function. J Chem Theory Comput. 2014 Nov 11;10(11):4873-82. doi: 10.1021/ct500759q. Epub 2014 Oct 13. PMID: 26584374.
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Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.

The Journal of chemical physics

Van Raemdonck M, Alcoba DR, Poelmans W, De Baerdemacker S, Torre A, Lain L, Massaccesi GE, Van Neck D, Bultinck P.
PMID: 26374017
J Chem Phys. 2015 Sep 14;143(10):104106. doi: 10.1063/1.4930260.

A class of polynomial scaling methods that approximate Doubly Occupied Configuration Interaction (DOCI) wave functions and improve the description of dynamic correlation is introduced. The accuracy of the resulting wave functions is analysed by comparing energies and studying the...

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Van Raemdonck M, Alcoba DR, Poelmans W, et al. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions. J Chem Phys. 2015;143(10):104106doi: 10.1063/1.4930260.
Van Raemdonck, M., Alcoba, D. R., Poelmans, W., De Baerdemacker, S., Torre, A., Lain, L., Massaccesi, G. E., Van Neck, D., & Bultinck, P. (2015). Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions. The Journal of chemical physics, 143(10), 104106. https://doi.org/10.1063/1.4930260
Van Raemdonck, Mario, et al. "Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions." The Journal of chemical physics vol. 143,10 (2015): 104106. doi: https://doi.org/10.1063/1.4930260
Van Raemdonck M, Alcoba DR, Poelmans W, De Baerdemacker S, Torre A, Lain L, Massaccesi GE, Van Neck D, Bultinck P. Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions. J Chem Phys. 2015 Sep 14;143(10):104106. doi: 10.1063/1.4930260. PMID: 26374017.
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Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism.

Physical chemistry chemical physics : PCCP

Monaco G, Aquino F, Zanasi R, Herrebout W, Bultinck P, Massa A.
PMID: 29038811
Phys Chem Chem Phys. 2017 Oct 25;19(41):28028-28036. doi: 10.1039/c7cp05358d.

Vibrational absorption and vibrational circular dichroism spectra (VA and VCD) have been recorded for two hybrid isoindolinone-phtalide stereoisomers dissolved in CDCl

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Monaco G, Aquino F, Zanasi R, et al. Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism. Phys Chem Chem Phys. 2017;19(41):28028-28036doi: 10.1039/c7cp05358d.
Monaco, G., Aquino, F., Zanasi, R., Herrebout, W., Bultinck, P., & Massa, A. (2017). Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism. Physical chemistry chemical physics : PCCP, 19(41), 28028-28036. https://doi.org/10.1039/c7cp05358d
Monaco, Guglielmo, et al. "Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism." Physical chemistry chemical physics : PCCP vol. 19,41 (2017): 28028-28036. doi: https://doi.org/10.1039/c7cp05358d
Monaco G, Aquino F, Zanasi R, Herrebout W, Bultinck P, Massa A. Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism. Phys Chem Chem Phys. 2017 Oct 25;19(41):28028-28036. doi: 10.1039/c7cp05358d. PMID: 29038811.
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Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes.

The journal of physical chemistry. A

Heidar-Zadeh F, Ayers PW, Verstraelen T, Vinogradov I, Vöhringer-Martinez E, Bultinck P.
PMID: 29148815
J Phys Chem A. 2018 May 03;122(17):4219-4245. doi: 10.1021/acs.jpca.7b08966. Epub 2018 Apr 20.

Many population analysis methods are based on the precept that molecules should be built from fragments (typically atoms) that maximally resemble the isolated fragment. The resulting molecular building blocks are intuitive (because they maximally resemble well-understood systems) and transferable...

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Heidar-Zadeh F, Ayers PW, Verstraelen T, et al. Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes. J Phys Chem A. 2018;122(17):4219-4245doi: 10.1021/acs.jpca.7b08966.
Heidar-Zadeh, F., Ayers, P. W., Verstraelen, T., Vinogradov, I., Vöhringer-Martinez, E., & Bultinck, P. (2018). Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes. The journal of physical chemistry. A, 122(17), 4219-4245. https://doi.org/10.1021/acs.jpca.7b08966
Heidar-Zadeh, Farnaz, et al. "Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes." The journal of physical chemistry. A vol. 122,17 (2018): 4219-4245. doi: https://doi.org/10.1021/acs.jpca.7b08966
Heidar-Zadeh F, Ayers PW, Verstraelen T, Vinogradov I, Vöhringer-Martinez E, Bultinck P. Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes. J Phys Chem A. 2018 May 03;122(17):4219-4245. doi: 10.1021/acs.jpca.7b08966. Epub 2018 Apr 20. PMID: 29148815.
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Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes.

Physical chemistry chemical physics : PCCP

Pinto de Magalhães H, Lüthi HP, Bultinck P.
PMID: 26645933
Phys Chem Chem Phys. 2016 Jan 14;18(2):846-56. doi: 10.1039/c5cp05343a.

Hypervalent iodine compounds, in particular λ(3)-iodanes, have become important reagents in organic synthesis for the electrophilic transfer of substituents to arenes and other nucleophiles. The structure and reactivity of these compounds are usually described based on a 3-center-4-electron bond...

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Pinto de Magalhães H, Lüthi HP, Bultinck P. Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes. Phys Chem Chem Phys. 2016;18(2):846-56doi: 10.1039/c5cp05343a.
Pinto de Magalhães, H., Lüthi, H. P., & Bultinck, P. (2016). Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes. Physical chemistry chemical physics : PCCP, 18(2), 846-56. https://doi.org/10.1039/c5cp05343a
Pinto de Magalhães, Halua, et al. "Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes." Physical chemistry chemical physics : PCCP vol. 18,2 (2016): 846-56. doi: https://doi.org/10.1039/c5cp05343a
Pinto de Magalhães H, Lüthi HP, Bultinck P. Exploring the role of the 3-center-4-electron bond in hypervalent λ(3)-iodanes using the methodology of domain averaged Fermi holes. Phys Chem Chem Phys. 2016 Jan 14;18(2):846-56. doi: 10.1039/c5cp05343a. PMID: 26645933.
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Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges.

Journal of chemical theory and computation

Van Damme S, Bultinck P, Fias S.
PMID: 26610109
J Chem Theory Comput. 2009 Feb 10;5(2):334-40. doi: 10.1021/ct800394q.

It is shown that molecular electrostatic potentials obtained from iterative or self-consistent Hirshfeld atomic point charges agree remarkably well with the ab initio computed electrostatic potentials. The iterative Hirshfeld scheme performs nearly as well as electrostatic potential derived atomic...

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Van Damme S, Bultinck P, Fias S. Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges. J Chem Theory Comput. 2009;5(2):334-40doi: 10.1021/ct800394q.
Van Damme, S., Bultinck, P., & Fias, S. (2009). Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges. Journal of chemical theory and computation, 5(2), 334-40. https://doi.org/10.1021/ct800394q
Van Damme, Sofie, et al. "Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges." Journal of chemical theory and computation vol. 5,2 (2009): 334-40. doi: https://doi.org/10.1021/ct800394q
Van Damme S, Bultinck P, Fias S. Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges. J Chem Theory Comput. 2009 Feb 10;5(2):334-40. doi: 10.1021/ct800394q. PMID: 26610109.
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Alzheimer's disease-associated peptide Aβ42 mobilizes ER Ca(2+) via InsP3R-dependent and -independent mechanisms.

Frontiers in molecular neuroscience

Jensen LE, Bultynck G, Luyten T, Amijee H, Bootman MD, Roderick HL.
PMID: 24204331
Front Mol Neurosci. 2013 Nov 05;6:36. doi: 10.3389/fnmol.2013.00036. eCollection 2013.

Dysregulation of Ca(2+) homeostasis is considered to contribute to the toxic action of the Alzheimer's disease (AD)-associated amyloid-β-peptide (Aβ). Ca(2+) fluxes across the plasma membrane and release from intracellular stores have both been reported to underlie the Ca(2+) fluxes...

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Jensen LE, Bultynck G, Luyten T, et al. Alzheimer's disease-associated peptide Aβ42 mobilizes ER Ca(2+) via InsP3R-dependent and -independent mechanisms. Front Mol Neurosci. 2013;6:36doi: 10.3389/fnmol.2013.00036.
Jensen, L. E., Bultynck, G., Luyten, T., Amijee, H., Bootman, M. D., & Roderick, H. L. (2013). Alzheimer's disease-associated peptide Aβ42 mobilizes ER Ca(2+) via InsP3R-dependent and -independent mechanisms. Frontiers in molecular neuroscience, 636. https://doi.org/10.3389/fnmol.2013.00036
Jensen, Laura E, et al. "Alzheimer's disease-associated peptide Aβ42 mobilizes ER Ca(2+) via InsP3R-dependent and -independent mechanisms." Frontiers in molecular neuroscience vol. 6 (2013): 36. doi: https://doi.org/10.3389/fnmol.2013.00036
Jensen LE, Bultynck G, Luyten T, Amijee H, Bootman MD, Roderick HL. Alzheimer's disease-associated peptide Aβ42 mobilizes ER Ca(2+) via InsP3R-dependent and -independent mechanisms. Front Mol Neurosci. 2013 Nov 05;6:36. doi: 10.3389/fnmol.2013.00036. eCollection 2013. PMID: 24204331; PMCID: PMC3817845.
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Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water.

FEMS microbiology ecology

Kielemoes J, Bultinck I, Storms H, Boon N, Verstraete W.
PMID: 19709183
FEMS Microbiol Ecol. 2002 Jan 01;39(1):41-55. doi: 10.1111/j.1574-6941.2002.tb00905.x.

Abstract Biofilm formation on 316L stainless steel was investigated in a pilotscale flow-through system fed with brackish surface water using an alternating flow/stagnation/flow regime. Microbial community analysis by denaturing gradient gel electrophoresis and sequencing revealed the presence of complex...

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Kielemoes J, Bultinck I, Storms H, et al. Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water. FEMS Microbiol Ecol. 2002;39(1):41-55doi: 10.1111/j.1574-6941.2002.tb00905.x.
Kielemoes, J., Bultinck, I., Storms, H., Boon, N., & Verstraete, W. (2002). Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water. FEMS microbiology ecology, 39(1), 41-55. https://doi.org/10.1111/j.1574-6941.2002.tb00905.x
Kielemoes, Jan, et al. "Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water." FEMS microbiology ecology vol. 39,1 (2002): 41-55. doi: https://doi.org/10.1111/j.1574-6941.2002.tb00905.x
Kielemoes J, Bultinck I, Storms H, Boon N, Verstraete W. Occurrence of manganese-oxidizing microorganisms and manganese deposition during biofilm formation on stainless steel in a brackish surface water. FEMS Microbiol Ecol. 2002 Jan 01;39(1):41-55. doi: 10.1111/j.1574-6941.2002.tb00905.x. PMID: 19709183.
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Aromaticity and Homoaromaticity in Methano[10]annulenes.

The Journal of organic chemistry

Caramori GF, de Oliveira KT, Galembeck SE, Bultinck P, Constantino MG.
PMID: 17194084
J Org Chem. 2007 Jan 05;72(1):76-85. doi: 10.1021/jo061702v.

Aromaticity and neutral homoaromaticity have been evaluated in methano[10]annulenes systems, 1,4-methano[10]annulene (1), 1,5-methano[10]annulene (2), and 1,6-methano[10]annulene (3). C-C bond lengths indicate that 1 presents higher bond alternation than 2 and 3. The relative energies were determined at the B3LYP/6-311+G(d,p)...

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Caramori GF, de Oliveira KT, Galembeck SE, et al. Aromaticity and Homoaromaticity in Methano[10]annulenes. J Org Chem. 2007;72(1):76-85doi: 10.1021/jo061702v.
Caramori, G. F., de Oliveira, K. T., Galembeck, S. E., Bultinck, P., & Constantino, M. G. (2007). Aromaticity and Homoaromaticity in Methano[10]annulenes. The Journal of organic chemistry, 72(1), 76-85. https://doi.org/10.1021/jo061702v
Caramori, Giovanni F, et al. "Aromaticity and Homoaromaticity in Methano[10]annulenes." The Journal of organic chemistry vol. 72,1 (2007): 76-85. doi: https://doi.org/10.1021/jo061702v
Caramori GF, de Oliveira KT, Galembeck SE, Bultinck P, Constantino MG. Aromaticity and Homoaromaticity in Methano[10]annulenes. J Org Chem. 2007 Jan 05;72(1):76-85. doi: 10.1021/jo061702v. PMID: 17194084.
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Multicenter bonding in carbocations with tetracoordinate protons.

The journal of physical chemistry. A

Ponec R, Bultinck P, Gutta P, Tantillo DJ.
PMID: 16526663
J Phys Chem A. 2006 Mar 16;110(10):3785-9. doi: 10.1021/jp0568430.

The nature of the bonding in a set of nonclassical carbocations with tetracoordinated protons "sandwiched" between two C=C pi bonds was scrutinized using the new computational methodology of generalized population analysis. The results of this theoretical analysis strongly corroborate...

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Ponec R, Bultinck P, Gutta P, et al. Multicenter bonding in carbocations with tetracoordinate protons. J Phys Chem A. 2006;110(10):3785-9doi: 10.1021/jp0568430.
Ponec, R., Bultinck, P., Gutta, P., & Tantillo, D. J. (2006). Multicenter bonding in carbocations with tetracoordinate protons. The journal of physical chemistry. A, 110(10), 3785-9. https://doi.org/10.1021/jp0568430
Ponec, Robert, et al. "Multicenter bonding in carbocations with tetracoordinate protons." The journal of physical chemistry. A vol. 110,10 (2006): 3785-9. doi: https://doi.org/10.1021/jp0568430
Ponec R, Bultinck P, Gutta P, Tantillo DJ. Multicenter bonding in carbocations with tetracoordinate protons. J Phys Chem A. 2006 Mar 16;110(10):3785-9. doi: 10.1021/jp0568430. PMID: 16526663.
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Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism.

The Journal of organic chemistry

Kuppens T, Vandyck K, Van der Eycken J, Herrebout W, van der Veken BJ, Bultinck P.
PMID: 16268579
J Org Chem. 2005 Nov 11;70(23):9103-14. doi: 10.1021/jo050666h.

[Structure: see text]. The absolute configurations of three compounds with a rigid 1,8-disubstituted as-hydrindacene skeleton have been determined using vibrational circular dichroism spectroscopy and quantum chemical calculations. Experimental spectra were compared to B3LYP/6-31G and B3LYP/cc-pVTZ level predicted spectra. Based...

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Kuppens T, Vandyck K, Van der Eycken J, et al. Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism. J Org Chem. 2005;70(23):9103-14doi: 10.1021/jo050666h.
Kuppens, T., Vandyck, K., Van der Eycken, J., Herrebout, W., van der Veken, B. J., & Bultinck, P. (2005). Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism. The Journal of organic chemistry, 70(23), 9103-14. https://doi.org/10.1021/jo050666h
Kuppens, T, et al. "Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism." The Journal of organic chemistry vol. 70,23 (2005): 9103-14. doi: https://doi.org/10.1021/jo050666h
Kuppens T, Vandyck K, Van der Eycken J, Herrebout W, van der Veken BJ, Bultinck P. Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism. J Org Chem. 2005 Nov 11;70(23):9103-14. doi: 10.1021/jo050666h. PMID: 16268579.
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Showing 1 to 12 of 150 entries