Phonons in Ultrathin Oxide Films: 2D to 3D Transition in FeO on Pt(111).

The structural and magnetic properties of ultrathin FeO(111) films on Pt(111) with thicknesses from 1 to 16 monolayers (MLs) were studied using the nuclear inelastic scattering of synchrotron radiation. A distinct evolution of vibrational characteristics with thickness, revealed in the phonon density of states (PDOS), shows a textbook transition from 2D to 3D lattice dynamics. For the thinnest films of 1 and 2 ML, the low-energy part of the PDOS followed a linear ∝E dependence in energy that is characteristic for two-dimensional systems. This dependence gradually transforms with thickness to the bulk ∝E^{2} relationship. Density-functional theory phonon calculations perfectly reproduced the measured 1-ML PDOS within a simple model of a pseudomorphic FeO/Pt(111) interface. The calculations show that the 2D PDOS character is due to a weak coupling of the FeO film to the Pt(111) substrate. The evolution of the vibrational properties with an increasing thickness is closely related to a transient long-range magnetic order and stabilization of an unusual structural phase.

Moderators of Intervention Efficacy in the Pathways to Wellness Trial of Survivorship Education and Mindfulness Meditation for Younger Breast Cancer Survivors.

PURPOSE: Depression is associated with poor outcomes in breast cancer survivors (BCSs), with higher prevalence among younger women. The Pathways to Wellness (PTW; ClinicalTrials.gov identifier: NCT03025139) randomized controlled trial (RCT) demonstrated beneficial effects of two behavioral interventions (survivorship education [SE] and mindful awareness practices [MAPs]) on depressive symptoms in younger BCS. We conducted an exploratory secondary analysis to identify moderators of intervention effects. METHODS: Women diagnosed with stage 0 to III breast cancer at or before age 50 years who completed cancer treatment were randomly assigned to 6 weeks of SE (n = 81), MAPs (n = 85), or waitlist control (WLC; n = 81). Moderators assessed at baseline included psychological distress (depression and anxiety), intervention preference, preparedness for survivorship, and time since initial diagnosis. Linear regression models tested the modifying effects of each variable on postintervention depression in SE versus WLC and MAPs versus WLC. RESULTS: Baseline levels of depression (ß = -.03, P < .01) and anxiety (ß = -.64, P = .02) moderated effects of SE on depressive symptoms, as did preparedness for survivorship (ß = 3.17, P = .02). Participants randomly assigned to SE who had the highest levels of depression or anxiety and who felt least prepared for survivorship showed the largest reductions in depressive symptoms from preintervention to postintervention. Similar effects were not observed for MAPs. Intervention preference and time since diagnosis did not moderate intervention effects for either SE or MAPs. CONCLUSION: Our 6-week, group-based SE program may be most beneficial for women with higher levels of psychological distress and those who feel least prepared for cancer survivorship. By contrast, a 6-week mindfulness awareness practice intervention appears to benefit younger BCS regardless of pretreatment characteristics.

The dynamics of the non-heme iron in bacterial reaction centers from Rhodobacter sphaeroides.

We investigate the dynamical properties of the non-heme iron (NHFe) in His-tagged photosynthetic bacterial reaction centers (RCs) isolated from Rhodobacter (Rb.) sphaeroides. Mössbauer spectroscopy and nuclear inelastic scattering of synchrotron radiation (NIS) were applied to monitor the arrangement and flexibility of the NHFe binding site. In His-tagged RCs, NHFe was stabilized only in a high spin ferrous state. Its hyperfine parameters (IS=1.06±0.01mm/s and QS=2.12±0.01mm/s), and Debye temperature (θ(D0)~167K) are comparable to those detected for the high spin state of NHFe in non-His-tagged RCs. For the first time, pure vibrational modes characteristic of NHFe in a high spin ferrous state are revealed. The vibrational density of states (DOS) shows some maxima between 22 and 33meV, 33 and 42meV, and 53 and 60meV and a very sharp one at 44.5meV. In addition, we observe a large contribution of vibrational modes at low energies. This iron atom is directly connected to the protein matrix via all its ligands, and it is therefore extremely sensitive to the collective motions of the RC protein core. A comparison of the DOS spectra of His-tagged and non-His-tagged RCs from Rb. sphaeroides shows that in the latter case the spectrum was overlapped by the vibrations of the heme iron of residual cytochrome c(2), and a low spin state of NHFe in addition to its high spin one. This enabled us to pin-point vibrations characteristic for the low spin state of NHFe.

Oxygen on an Fe monolayer on W(110): From chemisorption to oxidation.

The adsorption of oxygen on a pseudomorphic iron monolayer deposited on a W(110) surface was studied experimentally and theoretically. Standard surface characterization methods, such as Auger electron spectroscopy and low energy electron diffraction, and specific nuclear methods, such as conversion electron Mössbauer spectroscopy (CEMS) and nuclear resonant scattering of synchrotron radiation, combined with theoretical calculations based on the density functional theory allowed us to determine the structure of the oxygen adsorbate and the electronic properties of iron atoms with different oxygen coordinations. The oxygen-(3 × 2) structure on the iron monolayer was recognized and was interpreted to be a state with oxygen chemisorbed on the non-reconstructed surface with modest electron transfer from iron to oxygen. A transition from chemisorbed oxygen to the onset of Fe-oxidation is revealed by distinct changes in the CEMS spectra.

Rationale and design of a multisite randomized clinical trial examining an integrated behavioral treatment for veterans with co-occurring chronic pain and opioid use disorder: The pain and opioids integrated treatment in veterans (POSITIVE) trial.

BACKGROUND: Chronic pain and opioid use disorder (OUD) individually represent a risk to health and well-being. Concerningly, there is evidence that they are frequently co-morbid. While few treatments exist that simultaneously target both conditions, preliminary work has supported the feasibility of an integrated behavioral treatment targeting pain interference and opioid misuse. This treatment combined Acceptance and Commitment Therapy (ACT) and Mindfulness-Based Relapse Prevention (ACT+MBRP). This paper describes the protocol for the adequately powered efficacy study of this integrated treatment. METHODS: A multisite randomized controlled trial will examine the efficacy of ACT+MBRP in comparison to a parallel education control condition, focusing on opioid safety and pain education. Participants include veterans (n = 160; 21-75 years old) recruited from three Veterans Administration (VA) Healthcare Systems with chronic pain who are on a stable dose of buprenorphine. Both conditions include twelve weekly 90 min group sessions delivered via telehealth. Primary outcomes include pain interference (Patient Reported Outcome Measurement Information System - Pain Interference) and hazardous opioid use (Current Opioid Misuse Measure), which will be examined at the end of the active treatment phase and through 12 months post-intervention. Secondary analyses will evaluate outcomes including pain intensity, depression, pain-related fear, and substance use, as well as treatment mechanisms. CONCLUSION: This study will determine the efficacy of an integrated behavioral treatment program for pain interference and hazardous opioid use among veterans with chronic pain and OUD who are prescribed buprenorphine, addressing a critical need for more integrated treatments for chronic pain and OUD. TRIAL REGISTRATION: ClinicalTrials.gov Identifier: NCT04648228.

Coupling of collective motions of the protein matrix to vibrations of the non-heme iron in bacterial photosynthetic reaction centers.

Non-heme iron is a conservative component of type II photosynthetic reaction centers of unknown function. We found that in the reaction center from Rba. sphaeroides it exists in two forms, high and low spin ferrous states, whereas in Rsp. rubrum mostly in a low spin state, in line with our earlier finding of its low spin state in the algal photosystem II reaction center (Burda et al., 2003). The temperature dependence of the non-heme iron displacement studied by Mössbauer spectroscopy shows that the surrounding of the high spin iron is more flexible (Debye temperature ~165K) than that of the low spin atom (~207K). Nuclear inelastic scattering measurements of the collective motions in the Rba. sphaeroides reaction center show that the density of vibrational states, originating from non-heme iron, has well-separated modes between lower (4-17meV) and higher (17-25meV) energies while in the one from Rsp. rubrum its distribution is more uniform with only little contribution of low energy (~6meV) vibrations. It is the first experimental evidence that the fluctuations of the protein matrix in type II reaction center are correlated to the spin state of non-heme iron. We propose a simple mechanism in which the spin state of non-heme iron directly determines the strength of coupling between the two quinone acceptors (Q(A) and Q(B)) and fast collective motions of protein matrix that play a crucial role in activation and regulation of the electron and proton transfer between these two quinones. We suggest that hydrogen bond network on the acceptor side of reaction center is responsible for stabilization of non-heme iron in different spin states.

Noncollinear magnetization structure at the thickness-driven spin-reorientation transition in epitaxial Fe films on W(110).

An in-plane spin-reorientation transition occurring during the growth of epitaxial Fe films on W(110) was studied in situ by using the nuclear resonant scattering of synchrotron radiation. The spin-reorientation transition originates at the Fe/W(110) interface and proceeds via a noncollinear spin structure resembling a planar domain wall that propagates towards the surface with increasing film thickness.

Addictive Behavior Change and Mindfulness-Based Interventions: Current Research and Future Directions.

PURPOSE: Addictive behaviors are difficult to change and result in high rates of relapse following change attempts. A number of effective treatment approaches have been developed to treat addictive behaviors (e.g., cognitive behavioral therapies). More recently, there has been an increase in the development and evaluation of mindfulness-based interventions for addictive behaviors. This article discusses the history of mindfulness-based interventions for addictive behaviors and recent advances in treatment. RECENT FINDINGS: Mindfulness-based interventions are as effective as existing evidence-based treatments for addictive behaviors. Further understanding of the neurobiological changes that occur could help identify the components of mindfulness-based interventions that are most helpful and which individuals may benefit most from mindfulness-based intervention. SUMMARY: Additional large scale randomized controlled trials are needed for a better understanding of the effectiveness of mindfulness-based interventions. Future research should look at optimizing mindfulness-based interventions for specific settings and patient populations, as well as dissemination and implementation.

Mindfulness-based programs for substance use disorders: a systematic review of manualized treatments.

BACKGROUND: Substance use disorders are prevalent and returning to substance use (i.e., relapse) following treatment is common, underscoring the need for effective treatments that will help individuals maintain long-term reductions in substance use. Mindfulness-based interventions (MBIs) have been increasingly developed and evaluated for the treatment of substance use disorders. The aim of this article was to update a systematic review conducted by Li et al. in 2017 on the outcomes of randomized control trials of MBIs for substance use disorders. In addition, we provided a session-by-session examination of the most widely used MBI protocols. METHODS: We conducted a comprehensive literature search of the PubMed, PsycINFO, and Web of Science databases from January of 2016 through April of 2020. Studies were included based on the following criteria: 1) examined the effects of an MBI, 2) employed a randomized controlled trial design with repeated measures, including secondary data analyses of randomized controlled trials, and 3) enrolled participants seeking treatment for substance use disorders. RESULTS: The search identified 902 publications and 30 studies were eligible for inclusion and data extraction. MBIs appear to be as effective as existing evidence-based treatments for substance use disorders at reducing the frequency and quantity of alcohol and drug use, substance-related problems, craving for substance use, and at increasing the rate of abstinence. CONCLUSIONS: Future directions include additional large scale randomized controlled trials, investigation of the most suitable settings and protocols, examination of patient populations that may benefit most from MBIs, and dissemination and implementation research.

Driving the polar spin reorientation transition of ultrathin ferromagnets with antiferromagnetic-ferromagnetic phase transition of nearby FeRh alloy film.

We show that in-plane to out-of-plane magnetization switching of a ferromagnetic layer can be driven by antiferromagnetic-ferromagnetic phase transition in a nearby FeRh system. For FeRh/Au/FeAu trilayers, the impact of the magnetic phase transition of FeRh onto the perpendicular magnetization of monoatomic FeAu superlattices is transferred across the Au spacer layer via interlayer magnetic coupling. The polar spin reorientation process of the FeAu spins driven by the magnetic phase transition in the FeRh reveals its major features; namely it is reversible and displays hysteresis.

How a ferromagnet drives an antiferromagnet in exchange biased CoO/Fe(110) bilayers.

Antiferromagnet/ferromagnet (AFM/FM) bilayers that display the exchange bias (EB) effect have been subjected to intensive material research, being the key elements of novel spintronics systems. In a commonly accepted picture, the antiferromagnet, considered as a rigid material due to its high anisotropy and magnetic hardness, controls the magnetic properties of the ferromagnet, such as a shift of the hysteresis loop or coercivity. We show that this AFM-FM master-slave hierarchy is not generally valid and that the influence of the ferromagnet on the magnetic anisotropy (MA) of the neighbouring antiferromagnet must be considered. Our computer simulation and experimental studies of EB in an epitaxial CoO/Fe(110) bilayer show that the ferromagnetic layer with strong uniaxial magnetic anisotropy determines the interfacial spin orientations of the neighbouring AFM layer and rotates its easy axis. This effect has a strong feedback on the EB effect experienced by the FM layer. Our results show new physics behind the EB effect, providing a route for grafting a desired anisotropy onto the AFM and for precise tailoring of EB in AFM/FM systems.

The association between type 2 diabetes mellitus and A1/A2 polymorphism of glycoprotein IIIa gene.

Glycoprotein IIIa (GpIIIa) is a membrane receptor, found in various tissues, that has two alleles: A1 and A2. Signalling cascade of GpIIIa is modulated by enzymes called calpains, proteases that may also influence glucose metabolism. There is one small study that shows a high association of A1/A2 polymorphism with type 2 diabetes mellitus. In our research we planned to evaluate the association of A1/A2 polymorphism with type 2 diabetes in a population of patients with ST elevation acute myocardial infarction (STEMI). The study comprised 352 individuals. From the cohort of patients hospitalised for STEMI we chose 113 patients with diagnosed diabetes (diabetic group) and 118 patients with STEMI and normal glucose metabolism (non-diabetic group). The population group consisted of 121 persons. Genotyping was performed by the restriction fragments length polymorphism (RFLP) method. The frequency of alleles in all groups was in Hardy-Weinberg equilibrium. The percentage of A2 allele carriers was comparable among all groups : 20.4% (diabetic patients), 23.7% (nondiabetic) and 21.5% (control group) (p>0.05). There was no significant difference in frequency of A2 allele among the groups. We have not observed any association between GpIIIa polymorphism with either type 2 diabetes or STEMI.

Enhancement of perpendicular magnetic anisotropy and its electric field-induced change through interface engineering in Cr/Fe/MgO.

Recently, perpendicular magnetic anisotropy (PMA) and its voltage control (VC) was demonstrated for Cr/Fe/MgO. In this study, we shed light on the origin of large voltage-induced anisotropy change in Cr/Fe/MgO. Analysis of the chemical structure of Cr/Fe/MgO revealed the existence of Cr atoms in the proximity of the Fe/MgO interface, which can affect both magnetic anisotropy (MA) and its VC. We showed that PMA and its VC can be enhanced by controlled Cr doping at the Fe/MgO interface. For Cr/Fe (5.9 Å)/Cr (0.7 Å)/MgO with an effective PMA of 0.8 MJ/m3, a maximum value of the voltage-controlled magnetic anisotropy (VCMA) effect of 370 fJ/Vm was demonstrated due to Cr insertion.

Early and long-term prognosis of patients with coronary artery disease treated with percutaneous coronary interventions in 2005. Experience of single large-volume PCI center.

PURPOSE: The progress which has been made in interventional cardiology contributes to the gradual improvement of the results of CHD (coronary heart disease) therapy. The aim of the study was the assessment of early and long-term prognosis in all the patients with CHD treated invasively in one large-volume PCI center in 2005. MATERIAL AND METHODS: 1390 consecutive patients with CHD treated with PCI in 2005 were included in the analysis. Patients with ST-elevation myocardial infarction (STEMI) accounted for 50% of cases, patients with stable angina (SA) amounted to 25%, and patients with non-ST elevation acute coronary syndromes (NSTE-ACS) constituted 25%. Mean follow-up was 738 (±237) days. RESULTS: The highest mortality during the hospitalization was noted within the STEMI group(SA vs. NSTE-ACS vs. STEMI; 0% vs. 0.3% vs. 4.1%, respectively; p<0.001). The highest mortality during a 2-year follow-up was also observed in the STEMI group (SA vs. NSTE-ACS vs. STEMI, 6.3% vs. 8.5% vs. 13.8%, respectively; p<0.001). Multiple regression model showed that independent risk factors for death during the follow-up were: age, glycaemia at admission, heart rate, blood pressure, ejection fraction, STEMI, ineffective PCI (R=0.3613; F(10.131)=19.672; p<0.0001 for the model). CONCLUSIONS: The highest relative increase of mortality after the discharge of patients with CHD undergoing PCI referred to the patients with NSTE-ACS. However, in the real life PCI practice STEMI patients have the worst hospital and long-term prognosis. Well recognized risk factors for death in patients with CHD are still of great importance in negative prognosis of patients undergoing PCI.

Tailoring of the perpendicular magnetization component in ferromagnetic films on a vicinal substrate.

We have engineered the magnetic properties of 1-8 nm Co films epitaxially grown on an Au-buffered bifacial W(110)/W(540) single crystal. The surface of Au/W(110) was atomically flat, whereas the Au/W(540) followed the morphology of the vicinal W surface, showing a regular array of monoatomic steps. For Co grown on Au/W(540), the existence of the out-of-plane magnetization component extended strongly to a thickness d of about 8 nm, which was accompanied by an anomalous increase of the out-of-plane switching field with increasing d. In addition, the process of up-down magnetization switching could be realized with both a perpendicular and in-plane external magnetic field.

Phonons in iron: from the bulk to an epitaxial monolayer.

The confinement of materials in low-dimensional structures has significant impact on propagating excitations like phonons. Using the isotope-specific 57Fe nuclear resonant vibrational spectroscopy we were able to determine elastic and thermodynamic properties of ultrathin Fe films on W(110). With decreasing thickness one observes a significant increase of the mean atomic displacement that goes along with an enhancement of vibrational modes at low energies as compared to the bulk. The analysis reveals that these deviations result from atomic vibrations of the single atomic layers at the two boundaries of the film, while the atoms inside the films vibrate almost bulklike.

Phonons at the Fe(110) surface.

The in-plane density of phonon states of clean Fe(110) surface was measured separately for the first, second, and further atomic monolayers using nuclear inelastic scattering of synchrotron radiation. The results show that atoms of the first layer vibrate with frequencies significantly lower and amplitudes much larger than those in the bulk, and that vibrational spectra along two perpendicular in-surface directions are different. The vibrations of the second layer are already very close to those of the bulk. The good agreement of the experimental results and the first-principles calculations allows for detailed understanding of the observed phenomena.

Effect of densification on the density of vibrational states of glasses.

We studied the effect of densification on the vibrational dynamics of a Na(2)FeSi(3)O(8) glass. The density of vibrational states (DOS) has been measured using nuclear inelastic scattering. The corresponding changes in the microscopic, intermediate-range, and macroscopic properties have also been investigated. The results reveal that, in the absence of local structure transformations, the Debye level and the glass-specific excess of vibrational states above it have the same dependence on density, and the evolution of the DOS is fully described by the transformation of the elastic medium.