CONTExT-RA: a cross-sectional study evaluating disease activity, quality of life and the socio-demographic profile of Irish patients with rheumatoid arthritis.

Objectives: CONTExT-RA is a cross-sectional, non-interventional multicentre study which enrolled patients diagnosed with RA and receiving DMARD treatment in a secondary care setting. The study evaluated disease control and associated disease burden amongst this Irish population.

Methods: Patients with RA attending six Irish rheumatology centres were invited to participate.

[Analysis of the incidence and epidemiology of non-tuberculous mycobacterial infections in the health area III of Aragón].

Objective: The main objective of our investigation was to know the incidence and epidemiology of non-tuberculous mycobacteria (NTM) in our area and the prevalence of comorbidities in patients with MNT infection. As secondary objectives, we studied the distribution by species of MNT, the forms of disease and the type of sample used for its diagnosis.

Methods: A retrospective study was carried out in which all the isolates of mycobacteria carried out by the microbiology laboratory of the Hospital Clínico Universitario Lozano Blesa of Zaragoza during the period between January 1, 2011 and December 31, 2018 were included.

Magnetism of Dendrimer-Coated Gold Nanoparticles: A Size and Functionalization Study.

Highly sensitive magnetometry reveals paramagnetism in dendrimer-coated gold nanoparticles. Different types of such nanoparticles, as a result of (i) functionalizing with two distinct Percec-type dendrons, linked to gold via dodecanethiol groups, and (ii) postsynthesis annealing in a solvent-free environment that further promotes their growth have been prepared. Ultimately, for each of the two functionalization configurations, we obtain highly monodisperse and stable nanoparticles of two different sizes, with spherical shape.

Clinical Presentation and Outcome of COVID-19 in a Latin American Versus Spanish Population: Matched Case-Control Study.

Introduction: Increased mortality has been reported in the Latin American population. The objective is to compare the clinical characteristics and outcome of Latin American and Spanish populations in a cohort of patients hospitalized with COVID-19 during the first year of the pandemic.

Methods: We retrospectively analysed all the Latin American patients (born in South or Central America) hospitalized in our centre from February 2020 to February 2021 and compared them with an age- and gender-matched group of Spanish subjects.

C-reactive protein cut-off for early tocilizumab and dexamethasone prescription in hospitalized patients with COVID-19.

Dexamethasone and tocilizumab have been associated with reduction in mortality, however, the beneficial effect is not for all patients and the impact on viral replication is not well defined. We hypostatized that C-reactive protein (CRP) could help in the identification of patients requiring anti-inflammatory therapy. Patients admitted for > 48 h in our hospital for a confirmed or suspected infection by SARS-CoV-2 from February 2020 to February 2021 were retrospectively evaluated.

Impact of remdesivir according to the pre-admission symptom duration in patients with COVID-19.

Background: The use of remdesivir has demonstrated a significant reduction in the time to recovery in patients with COVID-19. However, the impact on mortality is still controversial. Therefore, it is necessary to evaluate whether there is a specific subgroup of patients in whom an active antiviral therapy also reduces the mortality.

Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit.

We explore how to encode more than a qubit in vanadyl porphyrin molecules hosting a = 1/2 electronic spin coupled to a = 7/2 nuclear spin. The spin Hamiltonian and its parameters, as well as the spin dynamics, have been determined a combination of electron paramagnetic resonance, heat capacity, magnetization and on-chip magnetic spectroscopy experiments performed on single crystals. We find low temperature spin coherence times of micro-seconds and spin relaxation times longer than a second.

Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver-Copper Oxide AgCuO ¤.

The electronic structure of AgCuO, and more specifically the possible charge delocalization and its implications for the transport properties, has been the object of debate. Here the problem is faced by means of first-principles density functional theory calculations of the electron and phonon band structures as well as molecular dynamics simulations for different temperatures. It is found that both Cu and Ag exhibit noninteger oxidation states, in agreement with previous spectroscopic studies.

Quantum Monte Carlo simulations of a giant {NiGd} cage with a S = 91 spin ground state.

The detailed analysis of magnetic interactions in a giant molecule is difficult both because the synthesis of such compounds is challenging and the number of energy levels increases exponentially with the magnitude and number of spins. Here, we isolated a {NiGd} nanocage with a large number of energy levels (≈5 × 10) and used quantum Monte Carlo (QMC) simulations to perform a detailed analysis of magnetic interactions. Based on magnetization measurements above 2 K, the QMC simulations predicted very weak ferromagnetic interactions that would give a record S = 91 spin ground state.

Rational electrostatic design of easy-axis magnetic anisotropy in a Zn(II) -Dy(III) -Zn(II) single-molecule magnet with a high energy barrier.

Two novel trinuclear complexes [ZnCl(μ-L)Ln(μ-L)ClZn][ZnCl3 (CH3 OH)]⋅3 CH3 OH (Ln(III) =Dy (1) and Er (2)) have been prepared from the compartmental ligand N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromo-benzyl)ethylenediamine (H2 L). X-ray studies reveal that Ln(III) ions are coordinated by two [ZnCl(L)](-) units through the phenoxo and aldehyde groups, giving rise to a LnO8 coordination sphere with square-antiprism geometry and strong easy-axis anisotropy of the ground state. Ab initio CASSCF+RASSI calculations carried out on 1 confirm that the ground state is an almost pure MJ =±15/2 Kramers doublet with a marked axial anisotropy, the magnetic moment is roughly collinear with the shortest DyO distances.

Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy.

Transition metal ions with long-lived spin states represent minimum size magnetic bits. Magnetic memory has often been associated with the combination of high spin and strong uniaxial magnetic anisotropy. Yet, slow magnetic relaxation has also been observed in some Kramers ions with dominant easy-plane magnetic anisotropy, albeit only under an external magnetic field.

Two C3 -symmetric Dy3III complexes with triple di-μ-methoxo-μ-phenoxo bridges, magnetic ground state, and single-molecule magnetic behavior.

Two series of isostructural C(3)-symmetric Ln(3) complexes Ln(3)⋅[BPh(4)] and Ln(3)⋅0.33[Ln(NO(3))(6)] (in which Ln(III) =Gd and Dy) have been prepared from an amino-bis(phenol) ligand. X-ray studies reveal that Ln(III) ions are connected by one μ(2)-phenoxo and two μ(3)-methoxo bridges, thus leading to a hexagonal bipyramidal Ln(3)O(5) bridging core in which Ln(III) ions exhibit a biaugmented trigonal-prismatic geometry.

Insertion of a single-molecule magnet inside a ferromagnetic lattice based on a 3D bimetallic oxalate network: towards molecular analogues of permanent magnets.

The insertion of the single-molecule magnet (SMM) [Mn(III)(salen)(H2O)]2(2+) (salen(2-) = N,N'-ethylenebis-(salicylideneiminate)) into a ferromagnetic bimetallic oxalate network affords the hybrid compound [Mn(III)(salen)(H2O)]2[Mn(II)Cr(III)(ox)3]2â‹…(CH3OH)â‹…(CH3CN)2 (1). This cationic Mn2 cluster templates the growth of crystals formed by an unusual achiral 3D oxalate network. The magnetic properties of this hybrid magnet are compared with those of the analogous compounds [Mn(III)(salen)(H2O)]2[Zn(II)Cr(III)(ox)3]2â‹…(CH3OH)â‹…(CH3CN)2 (2) and [In(III)(sal2-trien)][Mn(II)Cr(III)(ox)3]â‹…(H2O)0.

Lanthanoid single-ion magnets based on polyoxometalates with a 5-fold symmetry: the series [LnP5W30O110]12- (Ln3+ = Tb, Dy, Ho, Er, Tm, and Yb).

A robust, stable and processable family of mononuclear lanthanoid complexes based on polyoxometalates (POMs) that exhibit single-molecule magnetic behavior is described here. Preyssler polyanions of general formula [LnP(5)W(30)O(110)](12-) (Ln(3+) = Tb, Dy, Ho, Er, Tm, and Yb) have been characterized with static and dynamic magnetic measurements and heat capacity experiments. For the Dy and Ho derivatives, slow relaxation of the magnetization has been found.

A molecular [Mn14] coordination cluster featuring two slowly relaxing nanomagnets.

An extended polypyrazolyl ligand has been used to assemble Mn ions into high spin entities, in the form of one stable molecule composed of two well defined clusters. The slow relaxation of the magnetisation observed is demonstrated to arise from each "half-SMM" composing this molecular cluster pair.

Molecular prototypes for spin-based CNOT and SWAP quantum gates.

We show that a chemically engineered structural asymmetry in [Tb2] molecular clusters renders the two weakly coupled Tb3+ spin qubits magnetically inequivalent. The magnetic energy level spectrum of these molecules meets then all conditions needed to realize a universal CNOT quantum gate. A proposal to realize a SWAP gate within the same molecule is also discussed.

Single-molecule magnetic behavior in a neutral terbium(III) complex of a picolinate-based nitronyl nitroxide free radical.

The terdentate anionic picolinate-based nitronyl nitroxide (picNN) free radical forms neutral and robust homoleptic complexes with rare earth-metal ions. The nonacoordinated Tb(3+) complex Tb(picNN)(3)·6H(2)O is a single-molecule magnet with an activation energy barrier Δ = 22.8 ± 0.