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  1. Book ; Online: Models of Delay Differential Equations

    Rodríguez, Francisco / Cortés López, Juan Carlos / Castro, María Ángeles / Cortés López, Juan Carlos

    2021  

    Keywords Research & information: general ; Mathematics & science ; delay systems ; nonstandard numerical methods ; dynamic consistency ; semilinear problems with delay ; hyperbolic equations ; difference scheme ; stability ; Hilbert space ; SEIRS model ; age structure ; time delay ; traveling wave solution ; local asymptotic stability ; Hopf bifurcation ; spot freight rates ; freight options ; stochastic diffusion process ; stochastic delay differential equation ; risk-neutral measure ; arbitration arguments ; partial differential equations ; second-order dual phase lag equation ; laser heating ; thin metal films ; melting and resolidification ; finite difference method ; random linear delay differential equation ; stochastic forcing term ; random Lp-calculus ; uncertainty quantification ; delay random differential equation ; non-standard finite difference method ; mean square convergence ; size-structured population ; consumer-resource model ; delay differential equation ; numerical methods ; characteristics method ; convergence analysis ; implementation delay ; information delay ; stability switching curve ; Cournot oligopoly ; growth rate dynamics ; fractional convection diffusion-wave equations ; compact difference scheme ; nonlinear delay ; spatial variable coefficients ; convergence and stability ; Gerasimov-Caputo fractional derivative ; differential equation with delay ; degenerate evolution equation ; fixed point theorem ; relaxation mode ; large parameter ; asymptotics ; HIV infection ; mathematical delay model ; eclipse phase ; NSFD ; numerical simulation
    Size 1 electronic resource (248 pages)
    Publisher MDPI - Multidisciplinary Digital Publishing Institute
    Publishing place Basel, Switzerland
    Document type Book ; Online
    Note English ; Open Access
    HBZ-ID HT021291143
    ISBN 9783036509334 ; 303650933X
    Database ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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  2. Article ; Online: Conformational isomerism in trans-3-methoxycinnamic acid: From solid to gas phase.

    Castillo, Roger / Blanco, Susana / López, Juan Carlos

    Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

    2024  Volume 311, Page(s) 123997

    Abstract: The rotational spectrum of laser ablated trans-3-methoxycinnamic acid has been observed in the 2-8 GHz range using chirped-pulse Fourier transform microwave spectroscopy coupled to a supersonic jet and adapted to support a laser ablation vaporization ... ...

    Abstract The rotational spectrum of laser ablated trans-3-methoxycinnamic acid has been observed in the 2-8 GHz range using chirped-pulse Fourier transform microwave spectroscopy coupled to a supersonic jet and adapted to support a laser ablation vaporization system (LA-CP-FTMW). Eight stable conformers were theoretically predicted to exist at B3LYP-D3BJ/6-311++(2d,p) level, all of which were experimentally detected. The experimental rotational parameters data evidence the essentially planar structures for all the conformers. The relative population distribution of conformers in the supersonic jet was investigated from relative intensity measurements. Cooling in the jet brings rotational temperatures close to 1 K for all the conformers. The theoretical predictions for the rotational constants and electric dipole moments show good agreement with the experimental constants and selection rules observed. The population distribution of conformers in the supersonic jet was found to be close to the equilibrium distribution calculated at temperatures lower than the stagnation temperature. Finally, the correlation of the observed conformers structures with those found in condensed phases was investigated.
    Language English
    Publishing date 2024-02-06
    Publishing country England
    Document type Journal Article
    ZDB-ID 210413-1
    ISSN 1873-3557 ; 0370-8322 ; 0584-8539 ; 1386-1425
    ISSN (online) 1873-3557
    ISSN 0370-8322 ; 0584-8539 ; 1386-1425
    DOI 10.1016/j.saa.2024.123997
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

    Z 51/98: Show issues
    Z 1611 a: Show issues
    924/340: Show issues

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  3. Article ; Online: Molecular Structure of Salicylic Acid and Its Hydrates: A Rotational Spectroscopy Study.

    Macario, Alberto / López, Juan Carlos / Blanco, Susana

    International journal of molecular sciences

    2024  Volume 25, Issue 7

    Abstract: We present a study of salicylic acid and its hydrates, with up to four water molecules, done by employing chirped-pulse Fourier transform microwave spectroscopy. We employed the spectral data set of the parent, ...

    Abstract We present a study of salicylic acid and its hydrates, with up to four water molecules, done by employing chirped-pulse Fourier transform microwave spectroscopy. We employed the spectral data set of the parent,
    MeSH term(s) Molecular Structure ; Salicylic Acid ; Spectrum Analysis ; Mass Spectrometry ; Water
    Chemical Substances Salicylic Acid (O414PZ4LPZ) ; Water (059QF0KO0R)
    Language English
    Publishing date 2024-04-06
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms25074074
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: What you need to know when working with big pharma.

    López, Juan Carlos

    Nature biotechnology

    2020  Volume 38, Issue 7, Page(s) 785–787

    Language English
    Publishing date 2020-05-16
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1311932-1
    ISSN 1546-1696 ; 1087-0156
    ISSN (online) 1546-1696
    ISSN 1087-0156
    DOI 10.1038/s41587-020-0576-2
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2167: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)
    Zs.MO 137: Show issues
    Zs.MG 43: Show issues

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  5. Article ; Online: Accurate Experimental Structure of 1-Chloronaphthalene.

    Pinacho, Pablo / Gómez, Pablo / López, Juan Carlos / Blanco, Susana

    Chemphyschem : a European journal of chemical physics and physical chemistry

    2024  , Page(s) e202400072

    Abstract: The structure of isolated 1-chloronaphthalene has been investigated in a supersonic expansion by high-resolution chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy in the 2-8 GHz frequency range. Accurate values of the rotational, ... ...

    Abstract The structure of isolated 1-chloronaphthalene has been investigated in a supersonic expansion by high-resolution chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy in the 2-8 GHz frequency range. Accurate values of the rotational, centrifugal distortion, and nuclear quadrupole coupling constants for the only availabe conformer have been determined. The intensity of the spectrum allowed us to observe all the heavy atoms isotopologues in natural abundance, determining their rotational constants. From the extensive experimental dataset we derived accurate structures for 1-chloronaphthalene using different methodologies and compared with related compounds.
    Language English
    Publishing date 2024-03-12
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2025223-7
    ISSN 1439-7641 ; 1439-4235
    ISSN (online) 1439-7641
    ISSN 1439-4235
    DOI 10.1002/cphc.202400072
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H2O)1-3 complexes.

    Pinacho, Pablo / López, Juan Carlos / Kisiel, Zbigniew / Blanco, Susana

    The Journal of chemical physics

    2024  Volume 160, Issue 16

    Abstract: Microsolvation of the carbamate moiety delivers precise information on complexation effects on the N-C=O backbone and is of relevance to the peptide bond functionality. In this context, the mono-, di-, and trihydrated complexes of methyl carbamate have ... ...

    Abstract Microsolvation of the carbamate moiety delivers precise information on complexation effects on the N-C=O backbone and is of relevance to the peptide bond functionality. In this context, the mono-, di-, and trihydrated complexes of methyl carbamate have been studied in molecular expansion by high-resolution microwave spectroscopy, using chirped-pulse and Fabry-Perot resonator Fourier transform microwave instruments covering the frequency range from 2 to 18 GHz. From the rotational constants of the parent and the 18Ow substituted monoisotopologues, accurate values have been derived for the geometries of the hydrogen bond interactions. The nuclear quadrupole coupling constant χcc of the nitrogen nucleus provides a direct measure of complexation changes and decreases with the degree of hydration, whereas the hindered internal rotation barrier increases slightly with microsolvation. Both tendencies could have a common origin in the π-cooperative inductive effects as the microsolvation series progresses. All transitions are split by the internal rotation of the methyl top and the nuclear quadrupole coupling, and in the largest cluster, they are additionally split by an inversion motion.
    Language English
    Publishing date 2024-04-30
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0204953
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

    Z 4' 49/16: Show issues

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  7. Article ; Online: The Role of the Transient Atropisomerism and Chirality of Flurbiprofen Unveiled by Laser-Ablation Rotational Spectroscopy.

    Verde, Andrés / López, Juan Carlos / Blanco, Susana

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2023  Volume 29, Issue 25, Page(s) e202300064

    Abstract: The combination of atropisomerism and chirality in flurbiprofen is shown to be relevant concerning its pharmacological activity. The two most stable conformers of a total of eight theoretically predicted for each R- or S- flurbiprofen enantiomers have ... ...

    Abstract The combination of atropisomerism and chirality in flurbiprofen is shown to be relevant concerning its pharmacological activity. The two most stable conformers of a total of eight theoretically predicted for each R- or S- flurbiprofen enantiomers have been isolated in the cooling conditions of a supersonic jet and structurally characterized by laser ablation Fourier transform microwave spectroscopy. The detected conformers, whose structure is mainly defined by three dihedral angles, only differ in the sign of the phenyl torsion angle giving rise to S
    MeSH term(s) Molecular Conformation ; Flurbiprofen ; Spectrum Analysis/methods ; Laser Therapy ; Lasers
    Chemical Substances Flurbiprofen (5GRO578KLP)
    Language English
    Publishing date 2023-03-20
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202300064
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Structure and dynamics of 3'-aminoacetophenone and 4'-aminoacetophenone from rotational spectroscopy.

    Salvitti, Giovanna / Sigismondi, Silvia / Melandri, Sonia / López, Juan Carlos / Blanco, Susana / Maris, Assimo

    Physical chemistry chemical physics : PCCP

    2024  Volume 26, Issue 3, Page(s) 1881–1890

    Abstract: The rotational spectra of 4'-aminoacetophenone, and those of two conformers ( ...

    Abstract The rotational spectra of 4'-aminoacetophenone, and those of two conformers (
    Language English
    Publishing date 2024-01-17
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp05608b
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Photoinduced Reductive C-C and C-Heteroatom Couplings from Bis-cyclometalated Pt(IV) Alkynyl Complexes.

    López-López, Juan Carlos / Bautista, Delia / González-Herrero, Pablo

    Inorganic chemistry

    2023  Volume 62, Issue 35, Page(s) 14411–14421

    Abstract: Unsymmetrical dicarboxylato complexes [Pt(tpy) ...

    Abstract Unsymmetrical dicarboxylato complexes [Pt(tpy)
    Language English
    Publishing date 2023-08-24
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1484438-2
    ISSN 1520-510X ; 0020-1669
    ISSN (online) 1520-510X
    ISSN 0020-1669
    DOI 10.1021/acs.inorgchem.3c02162
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: Interbasin water transfers and the size of regions: An economic geography example

    Lopez, Juan Carlos

    Water resources and economics. 2018 Jan., v. 21

    2018  

    Abstract: A two-region, spatial economic model is developed to explore the implications of interregional water transfers on household migration and the intraregional distribution of land between urban and agricultural use when there are agglomeration economies in ... ...

    Abstract A two-region, spatial economic model is developed to explore the implications of interregional water transfers on household migration and the intraregional distribution of land between urban and agricultural use when there are agglomeration economies in urban production. A particular example is considered where an arid region lacks water resources but has differing levels of amenities and agricultural productivity relative to a water rich region. The conditions for the stability of both the dispersed and concentrated equilibria are found. Numerical simulations provide a graphical example of the set of stable equilibria in the parameter space. Finally, the model is calibrated using data on household consumption and agricultural production patterns in the US.
    Keywords agglomeration economies ; agricultural productivity ; arid zones ; econometric models ; geography ; household consumption ; mathematical models ; water resources ; United States
    Language English
    Dates of publication 2018-01
    Size p. 40-54.
    Publishing place Elsevier B.V.
    Document type Article
    ISSN 2212-4284
    DOI 10.1016/j.wre.2017.10.005
    Database NAL-Catalogue (AGRICOLA)

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