Predictors of treatment dropout in patients with posttraumatic stress disorder due to childhood abuse1

BackgroundKnowledge about patient characteristics predicting treatment dropout for post-traumatic stress disorder (PTSD) is scarce, whereas more understanding about this topic may give direction to address this important issue.MethodData were obtained from a randomized controlled trial in which a phase-based treatment condition (Eye Movement Desensitization and Reprocessing [EMDR] therapy preceded by Skills Training in Affect and Interpersonal Regulation [STAIR]; n = 57) was compared with a direct trauma-focused treatment (EMDR therapy only; n = 64) in people with a PTSD due to childhood abuse. All pre-treatment variables included in the trial were examined as possible predictors for dropout using machine learning techniques.ResultsFor the dropout prediction, a model was developed using Elastic Net Regularization. The ENR model correctly predicted dropout in 81.6% of all individuals. Males, with a low education level, suicidal thoughts, problems in emotion regulation, high levels of general psychopathology and not using benzodiazepine medication at screening proved to have higher scores on dropout.ConclusionOur results provide directions for the development of future programs in addition to PTSD treatment or for the adaptation of current treatments, aiming to reduce treatment dropout among patients with PTSD due to childhood abuse

Dynamics and thermalization of the nuclear spin bath in the single-molecule magnet Mn12-ac: test for the theory of spin tunneling

The description of the tunneling of a macroscopic variable in the presence of a bath of localized spins is a subject of great fundamental and practical interest, and is relevant for many solid-state qubit designs. Instead of focusing on the the "central spin" (as is most often done), here we present a detailed study of the dynamics of the nuclear spin bath in the Mn12-ac single-molecule magnet, probed by NMR experiments down to very low temperatures (T = 20 mK). We find that the longitudinal relaxation rate of the 55Mn nuclei in Mn12-ac becomes roughly T-independent below T = 0.8 K, and can be strongly suppressed with a longitudinal magnetic field. This is consistent with the nuclear relaxation being caused by quantum tunneling of the molecular spin, and we attribute the tunneling fluctuations to the minority of fast-relaxing molecules present in the sample. The transverse nuclear relaxation is also T-independent for T < 0.8 K, and can be explained qualitatively and quantitatively by the dipolar coupling between like nuclei in neighboring molecules. We also show that the isotopic substitution of 1H by 2H leads to a slower nuclear longitudinal relaxation, consistent with the decreased tunneling probability of the molecular spin. Finally, we demonstrate that, even at the lowest temperatures, the nuclear spins remain in thermal equilibrium with the lattice phonons, and we investigate the timescale for their thermal equilibration. After a review of the theory of macroscopic spin tunneling in the presence of a spin bath, we argue that most of our experimental results are consistent with that theory, but the thermalization of the nuclear spins is not.Comment: 24 pages, 18 figures. Experimental study of the spin bath dynamics in quantum nanomagnets, plus an extensive review and application of the theor

Field-Dependent Differential Susceptibility Studies on Tetrathiafulvalene-AuS\u3csub\u3e4\u3c/sub\u3eC\u3csub\u3e4\u3c/sub\u3e(CF\u3csub\u3e3\u3c/sub\u3e)\u3csub\u3e4\u3c/sub\u3e: Universal Aspects of the Spin-Peierls Phase Diagram

An applied magnetic field is known to produce novel effects in the phase behavior of magnetoelastic spin-Peierls systems. Hence we report measurements of the differential susceptibility (χ) and magnetization (M) in fields up to 40 kOe (4 T) on the spin-Peierls compound tetrathiafulvalene (TTF)-AuS4C4(CF3)4 in the temperature region (1.1K \u3c- T \u3c- 4.2K). This range of field and temperature encompasses an interesting phase region, including the zero-field spin-Peierls transition temperature Tc(0)=2.03 K. The measurements of the differential (ac) susceptibility provide a more sensitive probe of the transition behavior than magnetization measurements. The first definitive evidence for significant deviations from mean-field critical behavior appear in these measurements, and the appropriate criteria for determining the precise location of the transitions are thus provided by the thermodynamic theory of λ transitions. Using the new criteria, qualitative and even quantitative agreement is obtained with current theories of the field dependence of spin-Peierls transitions. A novel contour plot of χac in the H − T plane is shown to be useful for the delineation of the global phase-transition behavior. An investigation of the role of relaxation effects in χac relative to the nature of the phase boundaries is conducted. A major feature is the observation of a striking degree of universality in the phase behavior of three spin-Peierls systems TTF-AuS4C4(CF3)4, TTF-AuS4C4(CF3)4, and methylethylmorpholinium di-tetracyanoquinodimethane [MEM-(TCNQ)2]. hese universal features are preserved through considerable differences in lattice structure and a variation in Tc(0) of a factor of 10

Complexity Bounds for Ordinal-Based Termination

`What more than its truth do we know if we have a proof of a theorem in a given formal system?' We examine Kreisel's question in the particular context of program termination proofs, with an eye to deriving complexity bounds on program running times. Our main tool for this are length function theorems, which provide complexity bounds on the use of well quasi orders. We illustrate how to prove such theorems in the simple yet until now untreated case of ordinals. We show how to apply this new theorem to derive complexity bounds on programs when they are proven to terminate thanks to a ranking function into some ordinal.Comment: Invited talk at the 8th International Workshop on Reachability Problems (RP 2014, 22-24 September 2014, Oxford

Magnetic and thermal properties of 4f-3d ladder-type molecular compounds

We report on the low-temperature magnetic susceptibilities and specific heats of the isostructural spin-ladder molecular complexes L$_{2}$[M(opba)]_{3\cdot xDMSO$\cdot y$H$_{2}$O, hereafter abbreviated with L$_{2}$M$_{3}$ (where L = La, Gd, Tb, Dy, Ho and M = Cu, Zn). The results show that the Cu containing complexes (with the exception of La$_{2}$Cu$_{3}$) undergo long range magnetic order at temperatures below 2 K, and that for Gd$_{2}$Cu$_{3}$ this ordering is ferromagnetic, whereas for Tb$_{2}$Cu$_{3}$ and Dy$_{2}$Cu$_{3}$ it is probably antiferromagnetic. The susceptibilities and specific heats of Tb$_{2}$Cu$_{3}$ and Dy$_{2}$Cu$_{3}$ above $T_{C}$ have been explained by means of a model taking into account nearest as well as next-nearest neighbor magnetic interactions. We show that the intraladder L--Cu interaction is the predominant one and that it is ferromagnetic for L = Gd, Tb and Dy. For the cases of Tb, Dy and Ho containing complexes, strong crystal field effects on the magnetic and thermal properties have to be taken into account. The magnetic coupling between the (ferromagnetic) ladders is found to be very weak and is probably of dipolar origin.Comment: 13 pages, 15 figures, submitted to Phys. Rev.

The role of dynamical polarization of the ligand to metal charge transfer excitations in {\em ab initio} determination of effective exchange parameters

The role of the bridging ligand on the effective Heisenberg coupling parameters is analyzed in detail. This analysis strongly suggests that the ligand-to-metal charge transfer excitations are responsible for a large part of the final value of the magnetic coupling constant. This permits to suggest a new variant of the Difference Dedicated Configuration Interaction (DDCI) method, presently one of the most accurate and reliable for the evaluation of magnetic effective interactions. This new method treats the bridging ligand orbitals mediating the interaction at the same level than the magnetic orbitals and preserves the high quality of the DDCI results while being much less computationally demanding. The numerical accuracy of the new approach is illustrated on various systems with one or two magnetic electrons per magnetic center. The fact that accurate results can be obtained using a rather reduced configuration interaction space opens the possibility to study more complex systems with many magnetic centers and/or many electrons per center.Comment: 7 pages, 4 figure

Critical region of the random bond Ising model

We describe results of the cluster algorithm Special Purpose Processor simulations of the 2D Ising model with impurity bonds. Use of large lattices, with the number of spins up to $10^6$, permitted to define critical region of temperatures, where both finite size corrections and corrections to scaling are small. High accuracy data unambiguously show increase of magnetization and magnetic susceptibility effective exponents $\beta$ and $\gamma$, caused by impurities. The $M$ and $\chi$ singularities became more sharp, while the specific heat singularity is smoothed. The specific heat is found to be in a good agreement with Dotsenko-Dotsenko theoretical predictions in the whole critical range of temperatures.Comment: 11 pages, 16 figures (674 KB) by request to authors: [email protected] or [email protected], LITP-94/CP-0

Generalized calculation of magnetic coupling constants for Mott-Hubbard insulators: Application to ferromagnetic Cr compounds

Using a Rayleigh-Schr\"odinger perturbation expansion of multi-band Hubbard models, we present analytic expressions for the super-exchange coupling constants between magnetic transition metal ions of arbitrary separation in Mott-Hubbard insulators. The only restrictions are i) all ligand ions are closed shell anions and ii) all contributing interaction paths are of equal length. For short paths, our results essentially confirm the Goodenough-Kanamori-Anderson rules, yet in general there does not exist any simple rule to predict the sign of the magnetic coupling constants. The most favorable situation for ferromagnetic coupling is found for ions with less than half filled d shells, the (relative) tendency to ferromagnetic coupling increases with increasing path length. As an application, the magnetic interactions of the Cr compounds Rb$_2$CrCl$_4$, CrCl$_3$, CrBr$_3$ and CrI$_3$ are investigated, all of which except CrCl$_3$ are ferromagnets.Comment: 13 pages, 6 eps figures, submitted to Phys Rev

Magnetization steps in a diluted Heisenberg antiferromagnetic chain: Theory and experiments on TMMC:Cd

A theory for the equilibrium low-temperature magnetization M of a diluted Heisenberg antiferromagnetic chain is presented. The magnetization curve, M versus B, is calculated using the exact contributions of finite chains with 1 to 5 spins, and the "rise and ramp approximation" for longer chains. Some non-equilibrium effects that occur in a rapidly changing B, are also considered. Specific non-equilibrium models based on earlier treatments of the phonon bottleneck, and of spin flips associated with cross relaxation and with level crossings, are discussed. Magnetization data on powders of TMMC diluted with cadmium [i.e., (CH_3)_4NMn_xCd_(1-x)Cl_3, with 0.16<=x<=0.50 were measured at 0.55 K in 18 T superconducting magnets. The field B_1 at the first MST from pairs is used to determine the NN exchange constant, J, which changes from -5.9 K to -6.5 K as x increases from 0.16 to 0.50. The magnetization curves obtained in the superconducting magnets are compared with simulations based on the equilibrium theory. Data for the differential susceptibility, dM/dB, were taken in pulsed magnetic fields (7.4 ms duration) up to 50 T, with the powder samples in a 1.5 K liquid-helium bath. Non-equilibrium effects, which became more severe as x decreased, were observed. The non-equilibrium effects are tentatively interpreted using the "Inadequate Heat Flow Scenario," or to cross-relaxation, and crossings of energy levels, including those of excited states.Comment: 16 pages, 14 figure

Primary Exposure to SARS-CoV-2 via Infection or Vaccination Determines Mucosal Antibody-Dependent ACE2 Binding Inhibition

Background: Mucosal antibodies play a critical role in preventing SARS-CoV-2 infections or reinfections by blocking the interaction of the receptor-binding domain (RBD) with the angiotensin-converting enzyme 2 (ACE2) receptor on the cell surface. In this study, we investigated the difference between the mucosal antibody response after primary infection and vaccination. Methods: We assessed longitudinal changes in the quantity and capacity of nasal antibodies to neutralize the interaction of RBD with the ACE2 receptor using the spike protein and RBD from ancestral SARS-CoV-2 (Wuhan-Hu-1), as well as the RBD from the Delta and Omicron variants. Results: Significantly higher mucosal IgA concentrations were detected postinfection vs postvaccination, while vaccination induced higher IgG concentrations. However, ACE2-inhibiting activity did not differ between the cohorts. Regarding whether IgA or IgG drove ACE2 inhibition, infection-induced binding inhibition was driven by both isotypes, while postvaccination binding inhibition was mainly driven by IgG. Conclusions: Our study provides new insights into the relationship between antibody isotypes and neutralization by using a sensitive and high-Throughput ACE2 binding inhibition assay. Key differences are highlighted between vaccination and infection at the mucosal level, showing that despite differences in the response quantity, postinfection and postvaccination ACE2 binding inhibition capacity did not differ.</p