Browsing CIQUS-Artigos by Title
Now showing items 252-271 of 387
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QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes
(Royal Society of Chemistry, 2018)Type II dehydroquinase enzymes (DHQ2), recognized targets for antibiotic drug discovery, show significantly different activities dependent on the species: DHQ2 from Mycobacterium tuberculosis (MtDHQ2) and Helicobacter ... -
Quantification of the interfacial and bulk contributions to the longitudinal spin Seebeck effect
(AIP Publishing, 2021)We report the disentanglement of bulk and interfacial contributions to the thermally excited magnon spin current in the spin Seebeck effect under static heating. For this purpose, we have studied the dependence of the ... -
Raman Optical Activity (ROA) as a New Tool to Elucidate the Helical Structure of Poly(phenylacetylene)s
(Wiley, 2020)Poly(phenylacetylene)s are a family of helical polymers constituted by conjugated double bonds. Raman spectra of these polymers show a structural fingerprint of the polyene backbone which, in combination with its helical ... -
Real-Time Evaluation of Binding Mechanisms in Multivalent Interactions: A Surface Plasmon Resonance Kinetic Approach
(American Chemical Society, 2013)Multivalency is a key, ubiquitous phenomenon in nature characterized by a complex combination of binding mechanisms, with special relevance in carbohydrate–lectin recognition. Herein we introduce an original surface plasmon ... -
Real-time investigation of dynamic protein crystallization in living cells
(AIP Publishing, 2015)X-ray crystallography requires sufficiently large crystals to obtain structural insights at atomic resolution, routinely obtained in vitro by time-consuming screening. Recently, successful data collection was reported from ... -
Real-time investigation of dynamic protein crystallization in living cells
(AIP Publishing, 2015)X-ray crystallography requires sufficiently large crystals to obtain structural insights at atomic resolution, routinely obtained in vitro by time-consuming screening. Recently, successful data collection was reported from ... -
Recent Advances in Controlling the Internal and External Properties of Self‐Assembling Cyclic Peptide Nanotubes and Dimers
(Royal Society of Chemistry, 2017-06-07)One of the most powerful strategies for the preparation of nanotubes is based on the stacking of flat-shaped cyclic peptide components. This strategy allows precise control of the nanotube internal diameter, the external ... -
Recent Advances in Ruthenium-Catalyzed Carbene/Alkyne Metathesis (CAM) Transformations
(Thieme, 2020)Carbene intermediates have shown versatile applications in modern synthetic chemistry. Catalytic ruthenium carbene/alkyne metathesis (CAM) with readily available substrates renders an efficient procedure for the in situ ... -
Recent Advances in Transition-Metal Catalyzed Oxidative Annulations to Benzazepines and Benzodiazepines
(Wiley, 2020)Benzazepines and benzodiazepines, benzofused seven-membered N-heterocycles, compose an important family of natural products and pharmaceuticals. Although certainly important and effectives, classical synthetic methods of ... -
Recently developed synthetic compounds with anti-infective activity
(Elsevier, 2019)The ability of antibiotics to cure bacterial infections is at a serious risk due to the emergence and worldwide spread of superbugs. A lack of innovation and investment for almost 50 years has led to significant efforts ... -
Recruitment of RNA molecules by connexin RNA-binding motifs: Implication in RNA and DNA transport through microvesicles and exosomes
(Elsevier, 2017-04)Connexins (Cxs) are integral membrane proteins that form high-conductance plasma membrane channels, allowing communication from cell to cell (via gap junctions) and from cells to the extracellular environment (via ... -
Reducing the Flexibility of Type II Dehydroquinase for Inhibition: A Fragment‐Based Approach and Molecular Dynamics Study
(Wiley, 2017-09-19)A multidisciplinary approach was used to identify and optimize a quinazolinedione‐based ligand that would decrease the flexibility of the substrate‐covering loop (catalytic loop) of the type II dehydroquinase from Helicobacter ... -
Relaxation Dynamics in Polyethylene Glycol/Modified Hydrotalcite Nanocomposites
(MDPI, 2018)Polyethylene glycol-based nanocomposites containing an organo-modified hydrotalcite with loadings ranging from 0.5 to 5 wt.% were prepared by melt mixing performed just above the melting point of the polymer matrix. In ... -
Remote Activation of Hollow Nanoreactors for Heterogeneous Photocatalysis in Biorelevant Media
(American Chemical Society, 2020)Major current challenges in nano-biotechnology and nano-biomedicine include the implementation of predesigned chemical reactions in biological environments. In this context, heterogeneous catalysis is emerging as a promising ... -
Reply to the ‘Comment on “Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature”’ by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. Ballesteros, A. Canosa, G. El Dib, J. Albaladejo and J. Cernicharo, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04561A
(Royal Society of Chemistry, 2018-02-22)In this Reply we answer the two main arguments raised in the Comment. The first argument is related to the binding energy of the methanol dimer and its influence on the dimerization rate constant. We show that the dimerization ... -
Response of Three Different Viruses to Interferon Priming and Dithiothreitol Treatment of Avian Cells
(American Society for Microbiology, 2016)We have previously shown that the replication of avian reovirus (ARV) in chicken cells is much more resistant to interferon (IFN) than the replication of vesicular stomatitis virus (VSV) or vaccinia virus (VV). In this ... -
Reversible assembly of enantiomeric helical polymers: from fibers to gels
(Royal Society of Chemistry, 2015)A novel class of stereocomplexes is described by the interaction of helically complementary poly(phenylacetylene)s (PPAs) carrying an a-methoxy-a-trifluoromethylphenylacetamide pendant group. The formation of the ... -
Reversible Control of Protein Corona Formation on Gold Nanoparticles Using Host–Guest Interactions
(ACS Publications, 2020)When nanoparticles (NPs) are exposed to biological media, proteins are adsorbed, forming a so-called protein corona (PC). This cloud of protein aggregates hampers the targeting and transport capabilities of the NPs, thereby ... -
Reversible supramolecular assembly at specific DNA sites: Ni-promoted, bivalent DNA binding with designed peptide and bipyridylbisbenzamidine components
(WILEY-VCH Verlag GmbH, 2014-07-15)At specific DNA sites, nickel(II) salts promote the assembly of designed components, namely a bis(histidine)-modified peptide that is derived from a bZIP transcription factor and a bis(benzamidine) unit that is equipped ... -
Rh(III)-Catalyzed [5+2] Oxidative Annulation of Cyclic Arylguanidines and Alkynes to 1,3-Benzodiazepines. A Striking Mechanistic Proposal from DFT
(American Chemical Society, 2019)A novel and mild Rh(III)-catalyzed [5+2] oxidative annulation between cyclic arylguanidines and alkynes efficiently affords 1,3-benzodiazepines (pentacyclic guanidines). The use of O2 as the sole oxidant in place commonly ...