Publications by authors named "Joachim Lindner"

Psychosomatic rehabilitation clinics represent an important branch of care with good treatment results in Germany. So far, however, it is largely unclear which processes underlie the treatment successes. In the partial evaluations of the Hersfeld catamnesis study presented here, recourse is made to the construct of mentalizing ability, which has become very important in recent psychotherapy research.

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Aim Of The Study: Existing evaluation studies show the effectiveness of treatments in psychosomatic rehabilitation clinics. However, the clinics are facing new challenges, which can be attributed to the changes in the world of work, for example. At the same time, new patient groups such as older patients are coming more into focus, for whom the clinics are not yet sufficiently prepared.

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A new Ru oligomer of formula {[Ru(bda-κ-NO)(4,4'-bpy)](4,4'-bpy)}, (bda is [2,2'-bipyridine]-6,6'-dicarboxylate and 4,4'-bpy is 4,4'-bipyridine), was synthesized and thoroughly characterized with spectroscopic, X-ray, and electrochemical techniques. This oligomer exhibits strong affinity for graphitic materials through CH-π interactions and thus easily anchors on multiwalled carbon nanotubes (CNT), generating the molecular hybrid material . The latter acts as a water oxidation catalyst and converts to a new species, , during the electrochemical oxygen evolution process involving solvation and ligand reorganization facilitated by the interactions of molecular Ru catalyst and the surface.

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A series of merocyanine (MC) oligomers with a varying number of chromophores from two to six has been synthesized a peptide synthesis strategy. Solvent-dependent UV/vis spectroscopic studies reveal folding processes for the MC oligomers driven by strong dipole-dipole interactions resulting in well-defined π-stacks with antiparallel orientation of the dyes. Whilst even-numbered tetramer and hexamer only show partial folding into dimeric units, odd-numbered trimer and pentamer fold into π-stacks of three and five MC units upon decreasing solvent polarity.

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Herein we report a broad series of new trinuclear supramolecular Ru(bda) macrocycles bearing different substituents at the axial or equatorial ligands which enabled investigation of substituent effects on the catalytic activities in chemical and photocatalytic water oxidation. Our detailed investigations revealed that the activities of these functionalized macrocycles in water oxidation are significantly affected by the position at which the substituents were introduced. Interestingly, this effect could not be explained based on the redox properties of the catalysts since these are not markedly influenced by the functionalization of the ligands.

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A photocatalytic system containing a perylene bisimide (PBI) dye as a photosensitizer anchored to titanium dioxide (TiO ) nanoparticles through carboxyl groups was constructed. Under solar-light irradiation in the presence of sacrificial triethanolamine (TEOA) in neutral and basic conditions (pH 8.5), a reaction cascade is initiated in which the PBI molecule first absorbs green light, giving the formation of a stable radical anion (PBI ), which in a second step absorbs near-infrared light, forming a stable PBI dianion (PBI ).

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Here we report a synthetic protocol toward a merocyanine (MC) pentamer which represents the first merocyanine oligomer longer than a dimer. By continuously decreasing the solvent polarity, we demonstrate the stepwise folding from partially folded monomeric and dimeric MC subunits (in chloroform) up to the full pentamer π-stack (in 75% methylcyclohexane/25% chloroform) and a subsequent self-assembly of pentamer into larger aggregates (in 80% methylcyclohexane/20% chloroform). This hierarchical structure formation process became possible due to the predominant dipole-dipole interactions among MC dyes that allowed for a precise modulation of the energy landscape by the solvent polarity.

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We present a general extension of the metadynamics allowing for an automatic sampling of quantum property manifolds (ASQPM) giving rise to functional landscapes that are analogous to the potential energy surfaces in the frame of the Born-Oppenheimer approximation. For this purpose, we employ generalized electronic collective variables to carry out biased molecular dynamics simulations in the framework of quantum chemical methods that explore the desired property manifold. We illustrate our method on the example of the "biradicality landscapes", which we explore by introducing the natural orbital occupation numbers (NOONs) as the electronic collective variable driving the dynamics.

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The multistate metadynamics for automatic exploration of conical intersection seams and systematic location of minimum energy crossing points in molecular systems and its implementation into the software package metaFALCON is presented. Based on a locally modified energy gap between two Born-Oppenheimer electronic states as a collective variable, multistate metadynamics trajectories are driven toward an intersection point starting from an arbitrary ground state geometry and are subsequently forced to explore the conical intersection seam landscape. For this purpose, an additional collective variable capable of distinguishing structures within the seam needs to be defined and an additional bias is introduced into the off-diagonal elements of an extended (multistate) electronic Hamiltonian.

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We have investigated the photodynamics of β-d-glucose employing our field-induced surface-hopping (FISH) method, which allows us to simulate the coupled electron-nuclear dynamics, explicitly including nonadiabatic effects and light-induced excitation. Our results reveal that from the initially populated S and S states, glucose returns nonradiatively to the ground state within about 200 fs. This takes place mainly via conical intersections (CIs), whose geometries in most cases involve the elongation of a single O-H bond, whereas in some instances, ring-opening due to dissociation of a C-O bond is observed.

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In higher age, various diseases are more frequently present and occur in combination, with diabetes mellitus representing the comorbidity seen most frequently. Within the framework of a retrospective study, it has been evaluated whether the degree of metabolic compensation has an influence on the activities of daily life in geriatric patients after an acute event and following rehabilitation treatment. For this purpose over a period of 27 months (01/02/2000 - 03/31/2002), diabetic patients of a Saxonian geriatric center (n = 644, mean age 77.

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Background And Purpose: Oxygen free radicals appear in the early phase of acute pancreatitis followed by an imbalance between the oxygen and anti-oxygen system. Sodium selenite may play an important role in the reduction of radicals in experimental pancreatitis. The aim of this study was to evaluate the effects of selenium in a clinical prospective trial.

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