Journal ArticleDOI
Bioconjugate Supramolecular Pd2+ Metallacages Penetrate the Blood Brain Barrier In Vitro and In Vivo.
Ben Woods,Rúben D M Silva,Claudia Schmidt,Darren Wragg,Marco Cavaco,Vera Neves,Vera F. C. Ferreira,Lurdes Gano,Tânia S. Morais,Filipa Mendes,João D. G. Correia,Angela Casini +11 more
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TLDR
In this paper, a new water-soluble homoleptic cage (CPepH3) tethered to a blood brain barrier (BBB)-translocating peptide was synthesized by a combination of solid phase peptide synthesis (SPPS) and self-assembly procedures.About:
This article is published in Bioconjugate Chemistry.The article was published on 2021-01-13. It has received 25 citations till now.read more
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Orientational self-sorting: formation of structurally defined Pd4L8 and Pd6L12 cages from low-symmetry dipyridyl ligands.
TL;DR: Tetra-and hexanuclear coordination cages were obtained in reactions of [Pd(CH3CN)4]-BF4)2 with low-symmetry dipyridyl ligands as discussed by the authors.
Journal ArticleDOI
Supramolecular Rotaxane‐Based Multi‐Modal Probes for Cancer Biomarker Imaging
TL;DR: A rotaxane‐based approach to synthesise radiolabelled proteins and peptides for molecular imaging of cancer biomarkers in vivo and provides a platform to explore how mechanical bonding can improve drug delivery, enhance tumour specificity, control radiotracer pharmacokinetics, and reduce dosimetry.
Journal ArticleDOI
Bioinorganic supramolecular coordination complexes and their biomedical applications
TL;DR: The field of Bioinorganic Supramolecular Chemistry is an emerging research area including metal-based supramolecules resulting from coordination-driven self-assembly (CDSA), whereby metal ions and organic ligands can be easily linked by metal-ligand bonds via Lewis' acid/base interactions as mentioned in this paper .
Journal ArticleDOI
Orientational self-sorting in cuboctahedral Pd cages
Andrew Tarzia,Victor Posligua,Kim E. Jelfs,Nicolas Sanchez,Adam Marcus,Ananya Baksi,Guido H. Clever,Farzaneh Fadaei-Tirani,Kay Severin +8 more
TL;DR: In this article , the authors predict the preferred formation of a [Pd12L24]24+ cage with a cis arrangement at the metal centers, and this prediction was corroborated experimentally by synthesizing a bridging 3-(4-(pyridin-4-yl)phenyl)pyridine ligand.
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Highly-fluorescent BODIPY-functionalised metallacages as drug delivery systems: synthesis, characterisation and cellular accumulation studies.
Brech Aikman,Riccardo Bonsignore,Benjamin Woods,Daniel Doellerer,Riccardo Scotti,Claudia Schmidt,Alexandra Annabella Heidecker,Alexander Pöthig,Edward J. Sayers,Arwyn Tomos Jones,Angela Casini +10 more
TL;DR: Preliminary results provide a new hypothesis on how the subcellular localisation of the cage affects the cisplatin intracellular release, as evidenced by electrostatic potential (ESP) analysis based on XRD studies.
References
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Journal ArticleDOI
Rationale for mixing exact exchange with density functional approximations
TL;DR: In this paper, it was shown that the optimum integer n is approximately the lowest order of the Gorling-Levy perturbation theory which provides a realistic description of the coupling-constant dependence Exc,λ in the range 0≤λ≤1, whence n≊4 for atomization energies of typical molecules.
Journal ArticleDOI
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
Art D. Bochevarov,Edward Harder,Thomas F. Hughes,Jeremy R. Greenwood,Dale A. Braden,Dean M. Philipp,David Rinaldo,Mathew D. Halls,Jing Zhang,Richard A. Friesner +9 more
TL;DR: Jaguar as mentioned in this paper is an ab initio quantum chemical program that specializes in fast electronic structure predictions for molecular systems of medium and large size, such as density functional theory (DFT) and local second-order Moller-Plesset perturbation theory.
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Blood-brain barrier tight junction permeability and ischemic stroke.
Karin E. Sandoval,Ken A. Witt +1 more
TL;DR: This review focuses on those aspects of ischemic stroke impacting BBB TJ integrity and the principle regulatory pathways, respective to the phases of paracellular permeability.
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In vitro models of the blood-brain barrier: An overview of commonly used brain endothelial cell culture models and guidelines for their use
Hans Christian Cederberg Helms,N. Joan Abbott,Malgorzata Burek,Roméo Cecchelli,Pierre Olivier Couraud,Mária A. Deli,Carola Förster,H.-J. Galla,Ignacio A. Romero,Eric V. Shusta,Matthew J. Stebbins,Elodie Vandenhaute,Babette B. Weksler,Birger Brodin +13 more
TL;DR: A review of established in vitro blood-brain barrier models with a focus on their validation regarding a set of well-established bloodbrain barrier characteristics is given in this paper, with an overview of the advantages and drawbacks of the different models described.
Journal ArticleDOI
Engaging neuroscience to advance translational research in brain barrier biology
Edward A. Neuwelt,Björn Bauer,Christoph Fahlke,Gert Fricker,Constantino Iadecola,Damir Janigro,Luc Leybaert,Zoltán Molnár,Martha E O'Donnell,John T. Povlishock,Norman R. Saunders,Frank R. Sharp,Danica Stanimirovic,Ryan J. Watts,Lester R. Drewes +14 more
TL;DR: The delivery of many potentially therapeutic and diagnostic compounds to specific areas of the brain is restricted by brain barriers, of which the most well known are the blood–brain barrier (BBB) and the blood-cerebrospinal fluid (CSF) barrier.