Search Results - "Kessler, Peter"
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Nb11O15−. As a persistent spherical antiaromatic cluster
Published in Chemical physics letters (16-12-2024)“…[Display omitted] •Formation of a spherical antiaromatic cluster.•Enabling an induced deshielding cone.•Deshielding cone from different orientations of the…”
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Structure search for transition metal clusters. Towards a rational understanding of their size-dependent properties
Published in Inorganica Chimica Acta (01-01-2025)“…[Display omitted] •Informative perspective from current methods in cluster structural optimizations.•Considerations for small, medium and large cluster…”
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Intermediate Intercluster Bond Orders. Electronic Communication in Au 38 (SR) 24 Superatomic Molecules
Published in Chemphyschem (22-07-2024)“…Ligand-protected gold clusters remain potential building blocks for envisaged molecular materials. The archetypal Au (SR) cluster can be viewed as a robust…”
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Benzene–Ni10S20 Interaction. Host–Guest Features and Nuclear Magnetic Resonance Patterns toward Prototypical Metal-Based Active Cavities
Published in Journal of physical chemistry. C (19-09-2024)“…The formation of active pores for the formation of metal–organic frameworks is relevant in materials science, encouraging the design of metal-based host…”
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5
Masticatory function in edentulous patients wearing implant overdentures after graftless maxillary sinus membrane elevation
Published in Journal of oral rehabilitation (01-06-2024)“…Background Graftless sinus floor augmentation shows good results in bone gain, radiology and implant survival. Clinically, this technique can be recommended as…”
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Intermediate Intercluster Bond Orders. Electronic Communication in Au38(SR)24 Superatomic Molecules
Published in Chemphyschem (16-09-2024)“…Ligand‐protected gold clusters remain potential building blocks for envisaged molecular materials. The archetypal Au38(SR)24 cluster can be viewed as a robust…”
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7
RANKL inhibition for giant cell lesions of the jaw: A retrospective cohort analysis
Published in European journal of cancer (1990) (01-11-2022)“…In all giant-cell-rich lesions (GCRL) occurring in bone, a common underlying excessive RANKL expression is held responsible for the osteolytic activity. Apart…”
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On Heteronuclear Isoelectronic Alternatives to [Au(13)(dppe)(5)Cl(2)](3+): Electronic and Optical Properties of the 18-Electron Os@[Au(12)(dppe)(5)Cl(2)] Cluster from Relativistic Density Functional Theory Computations
Published in Inorganic chemistry (07-06-2021)“…The development of well-defined atomically precise heteronuclear nanoclusters passivated by protecting ligands is presently a booming area, owing to the fact…”
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The Macrophage Cholesterol Exporter ABCA1 Functions as an Anti-inflammatory Receptor
Published in The Journal of biological chemistry (20-11-2009)“…ATP-binding cassette transporter A1 (ABCA1) is a cell membrane protein that exports excess cholesterol from cells to apolipoprotein (apo) A-I, the major…”
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Alternative Pharmacologic Therapy for Aggressive Central Giant Cell Granuloma: Denosumab
Published in Journal of oral and maxillofacial surgery (01-07-2014)“…In the search for new pharmacologic therapies for central giant cell granuloma (CGCG), proteins that are essential to osteoclastogenesis are intriguing…”
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Nature of the dative Nitrogen-Coinage metal bond in molecular Motors. Evaluation of NHC-M pyrazine bond (M = Cu, Ag, Au) from relativistic DFT
Published in Inorganica Chimica Acta (01-05-2023)“…[Display omitted] •Nature of dative bonds under rotation.•Relativistic effects under rotation.•Bonding nature along the rotation processes.•Coinage metals. The…”
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On Heteronuclear Isoelectronic Alternatives to [Au13(dppe)5Cl2]3+: Electronic and Optical Properties of the 18-Electron Os@[Au12(dppe)5Cl2] Cluster from Relativistic Density Functional Theory Computations
Published in Inorganic chemistry (07-06-2021)“…The development of well-defined atomically precise heteronuclear nanoclusters passivated by protecting ligands is presently a booming area, owing to the fact…”
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Anion Encapsulation with Micromolar Affinity on [Pd2L4]4+ Receptor Cage. Nature of Anion-Receptor Interaction and 1H NMR Parameters from Dispersion-Corrected DFT Calculations
Published in Journal of physical chemistry. C (22-08-2024)“…Anion recognition, leading to encapsulated species, remains a relevant issue in supramolecular chemistry. The recent characterization of [Pd2L4]4+ with L =…”
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Potential Role of Regulatory T Cells in Mother-to-Child Transmission of HIV
Published in Current HIV research (01-01-2018)“…Mother-to-child transmission of HIV-1 occurs in a minority of HIVinfected mother-infant pairs, even without any interventions. The mechanisms that protect the…”
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Neural Correlates of Tooth Clenching in Patients with Bruxism and Temporomandibular Disorder-Related Pain
Published in Journal of oral & facial pain and headache (01-01-2023)“…To measure brain activity in patients with bruxism and temporomandibular disorder (TMD)-related pain in comparison to controls using functional magnetic…”
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New global minimum conformers for the Pt19 and Pt20 clusters: low symmetric species featuring different active sites
Published in Journal of molecular modeling (2024)“…Context The study of platinum (Pt) clusters and nanoparticles is essential due to their extensive range of potential technological applications, particularly…”
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Visualizing NMR‐shielding effect in fullerene‐ZnPc aggregates: Characteristic patterns of ZnP‐based hosts and encapsulation nature from DFT calculations
Published in International journal of quantum chemistry (05-03-2021)“…The formation of supramolecular aggregates incorporating C60 fullerenes can be followed and characterized by nuclear magnetic resonance (NMR) measurements…”
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Topology optimization of a mandibular reconstruction plate and biomechanical validation
Published in Journal of the mechanical behavior of biomedical materials (01-01-2021)“…Reconstruction plates, used to bridge segmental defects of the mandible after tumor resection or traumatic bone tissue loss, are subjected to repeated stresses…”
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Exploration of Free Energy Surface of the Au10 Nanocluster at Finite Temperature
Published in Molecules (Basel, Switzerland) (18-07-2024)“…The first step in comprehending the properties of Au10 clusters is understanding the lowest energy structure at low and high temperatures. Functional materials…”
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The histological and histomorphometric changes in the mandible after radiotherapy: An animal model
Published in Journal of cranio-maxillo-facial surgery (01-05-2017)“…Abstract Purpose Approximately 5% of irradiated head and neck cancer patients develop osteoradionecrosis of the mandible. The current non-surgical treatment…”
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