536 results match your criteria: "Darmstadt University of Technology[Affiliation]"

Article Synopsis
  • Macrocycles are seen as effective tools for targeting hard-to-reach proteins inside cells, but improving them from initial linear structures is still a work in progress.
  • Researchers studied linker modification to enhance macrocycle properties, focusing on FKBP51 and producing over 140 versions with different linkers.
  • They discovered that these modifications led to better affinity, stability, and solubility of the macrocycles compared to earlier models, and emphasized the importance of understanding the 3D shapes of these molecules in drug development.
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Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.

Angew Chem Int Ed Engl

January 2025

Darmstadt University of Technology: Technische Universitat Darmstadt, Clemens-Schöpf-Institute of Organic Chemistry and Biochemistry, Alarich-Weiss-Strasse 4, 64287, Darmstadt, GERMANY.

Article Synopsis
  • Macrocycles are natural and synthetic compounds that can enhance the ability of bioactive molecules to penetrate cells, with emerging guidelines for their design.
  • Even medium-sized macrocycles exhibit significant flexibility in shape, even while attached to target proteins, which allows for diverse conformations.
  • Minor linker modifications in these macrocycles can lead to new ligand formations with improved binding properties for important therapeutic targets, highlighting the unique benefits of macrocyclic structures in drug development.
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Anti-Malarial Activity of Amentoflavone Isolated from Leaf of Calophyllum Tomentosum Wight.

Chem Biodivers

October 2024

Institute of Materials Science, Darmstadt University of Technology, Alarich-Weiss-Strasse 2, D-64287, Darmstadt, Germany.

Calophyllum tomentosum belonging to Clusiaceae family is an Indian medicinal plant used as folklore medicine to cure various kinds of diseases reported in Ayurveda, and the leaves of the plant are also used as an active ingredient for the preparation of a botanical medicine known as 'Punnaga', 'Surapunnaga' and 'Tamoil' among other common names. Chemical profiling of the methanol extract of the defatted leaf revealed the presence of amentoflavone (1) as one of the constituents along with coumarins, terpenoids, steroids, and apetalic acids. Structural determination of amentoflavone (1) has been conducted by chemical, spectral, and spectrometric methods in comparison with spectral values available in the literature and confirmed by a single crystal X-ray diffraction study.

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Lichens are a symbiotic association of algae and fungus, belonging to the family Parmeliaceae. Some lichen species are edible and used as an active ingredient for preparation of exotic spices as well as folklore medicine to cure different kinds of ailments. A specimen of lichen was collected from Munner in the Kerala State of South India for chemical profiling.

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Cortical thickness of the posterior cingulate cortex is associated with the ketamine-induced altered sense of self: An ultra-high field MRI study.

J Psychiatr Res

April 2024

Department of Psychiatry and Psychotherapy, Jena University Hospital, Jena, Germany; Clinical Affective Neuroimaging Laboratory (CANLAB), Magdeburg, Germany; Center for Intervention and Research on adaptive and maladaptive brain Circuits underlying mental health (C-I-R-C), Halle-Jena-Magdeburg, Germany. Electronic address:

Article Synopsis
  • Subanesthetic doses of ketamine can rapidly alleviate symptoms of treatment-resistant depression but may also cause temporary psychotomimetic effects, including an altered sense of self.
  • A study using MRI scans on 35 healthy male participants found a negative correlation between cortical thickness in the posterior cingulate cortex (PCC) and scores of disembodiment, suggesting that thinner PCC may relate to a stronger altered self-experience after ketamine use.
  • The findings emphasize the PCC's role in developing an altered sense of self under ketamine, paralleling effects observed with other antidepressants that have psychotomimetic properties.
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Is badfiction processed differently by the human brain? An electrophysical study on reading experience.

Front Hum Neurosci

January 2024

Cognitive Psychology Unit, Faculty of Social and Behavioural Sciences, Leiden University, Leiden, Netherlands.

Literary reception is a special case of language processing. The judgment of literature reveals deep social patterns with embodied cognition. In this study, we investigate how differences in literary quality resonate in the human brain.

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The Importance of Dean Flow in Microfluidic Nanoparticle Synthesis: A ZIF-8 Case Study.

Small Methods

January 2024

BCMaterials, Basque Center for Materials, Applications and Nanostructures, UPV/EHU Science Park, Leioa, Vizcaya, 48940, Spain.

The Dean Flow, a physics phenomenon that accounts for the impact of channel curvature on fluid dynamics, has great potential to be used in microfluidic synthesis of nanoparticles. This study explores the impact of the Dean Flow on the synthesis of ZIF-8 particles. Several variables that influence the Dean Equation (the mathematical expression of Dean Flow) are tested to validate the applicability of this expression in microfluidic synthesis, including the flow rate, radius of curvature, channel cross sectional area, and reagent concentration.

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Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.

Acta Crystallogr E Crystallogr Commun

April 2023

Department of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, USA.

The crystal structures and Hirshfeld surface analyses of three salts of 1-(4-nitro-phenyl)-piperazine with 2-chloro-benzoic acid, 2-bromo-benzoic acid and 2-iodo-benzoic acid are reported. The chloro-benzoate salt, CHNO ·CHClO , contains whole-ion-disordered cations and anions, which were modeled with two equivalent conformations with occupancies of 0.745 (10)/0.

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The structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine are discussed. In 4-(4-nitro-phen-yl)piperazin-1-ium salicylate (CHNO ·CHO ), there are strong hydrogen bonds between cation and anion and the 4-nitro-phenyl substituent occupies an equatorial position in the piperazinium ring. The cation and anion are linked together by supra-molecular inter-actions [graph-set notation of hydrogen bonding (6) propagating in the -axis direction].

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Ketamine shows rapid antidepressant effects peaking 24 h after administration. The antidepressant effects may occur through changes in glutamatergic metabolite levels and resting-state functional connectivity (rsFC) within the default mode network (DMN). A multistage drug effect of ketamine has been suggested, inducing acute effects on dysfunctional network configuration and delayed effects on homeostatic synaptic plasticity.

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The synthesis and crystal structures of the mol-ecular salts of 4-(4-nitro-phen-yl)piperazine with tri-fluoro-acetate, namely, 4-(4-nitro-phen-yl)piperazin-1-ium tri-fluoro-acetate, CHNO ·CFO (I), and with tri-chloro-acetate, namely, 4-(4-nitro-phen-yl)piperazin-1-ium tri-chloro-acetate, CHNO ·CClO , (II), are reported and compared. A partial positional disorder of the anions was found. In both structures, the piperazine rings adopt a chair conformation, whereas the positions of the nitro-phenyl group on the piperazine ring differ from bis-ectional in (I) to equatorial in (II).

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Three-dimensional (3D) printing is considered a key technology in the production of customized scaffolds for bone tissue engineering. In a previous work, we developed a 3D printable, osteoconductive, hierarchical organized scaffold system. The scaffold material should be osteoinductive.

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Isopropyl 4-amino-benzoate.

IUCrdata

September 2022

Department of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, USA.

The title compound, CHNO, crystallizes with two mol-ecules ( and ) in the asymmetric unit. For , the dihedral angle between the plane of the phenyl ring and the -propyl substituent is 65.4 (3)° while for this angle is 67.

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Anti-Proliferative Acyl Phenols and Arylnonanoids from the Fruit Rind of Myristica malabarica Lam.

Chem Biodivers

December 2022

Department of Chemistry, M/C 0212, Virginia Tech, Blacksburg, Virginia, 24061, USA.

Phytochemical investigation of the methanol extract of the fruit rind of Myristica malabarica led to the isolation of eight known compounds that were identified as malabaricones A-D, promalabaricones B and C, 1-(2,6-dihydroxyphenyl)tetradecan-1-one, and ericanone by comparison with literature spectroscopic data. The structures of malabaricones A-D, promalabaricone B, and 1-(2,6-dihydroxyphenyl)tetradecan-1-one were confirmed by X-ray crystallography. In vitro assay of the isolated phenols indicated that they exhibited moderate anti-proliferative activity against the A2780 human ovarian cancer cell.

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The structures of eleven (4-phen-yl)piperazinium salts containing organic anions.

Acta Crystallogr E Crystallogr Commun

October 2022

Department of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, USA.

Eleven (4-phen-yl)piperazinium salts containing organic anions have been prepared and structurally characterized, namely, 4-phenyl-piperazin-1-ium 4-fluoro-benzoate monohydrate, CHN ·CHFO ·HO, ; 4-phenyl-piperazin-1-ium 4-bromo-benzoate monohydrate, CHN ·CHBrO ·HO, ; 4-phenyl-piperazin-1-ium 4-iodo-benzoate, CHN ·CHIO , ; 4-phenyl-piperazin-1-ium 4-nitro-benzoate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium 3,5-di-nitro-salicylate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium 3,5-di-nitro-benzoate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium picrate, CHN ·CHNO , ; 4-phenyl-piperazin-1-ium benzoate monohydrate, CHN ·CHO ·HO, ; 4-phenyl-piperazin-1-ium -toluene-sulfonate, CHN ·CHOS, ; 4-phenyl-piperazin-1-ium tartarate monohydrate, CHN ·CHO ·HO, ; and 4-phenyl-piperazin-1-ium fumarate, CHN ·CHO , . Compounds and - are all 1:1 salts with the acid proton transferred to the phenyl-piperaizine basic N atom (the secondary amine) with the exception of where there is disorder in the proton position with it being 68% attached to the base and 32% attached to the acid. Of the structures with similar stoichiometries only and are isomorphous.

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Regular musical activity as a complex multimodal lifestyle activity is proposed to be protective against age-related cognitive decline and Alzheimer's disease. This cross-sectional study investigated the association and interplay between musical instrument playing during life, multi-domain cognitive abilities and brain morphology in older adults (OA) from the DZNE-Longitudinal Cognitive Impairment and Dementia Study (DELCODE) study. Participants reporting having played a musical instrument across three life periods ( = 70) were compared to controls without a history of musical instrument playing ( = 70), well-matched for reserve proxies of education, intelligence, socioeconomic status and physical activity.

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Automatic segmentation of ground glass opacities and consolidations in chest computer tomography (CT) scans can potentially ease the burden of radiologists during times of high resource utilisation. However, deep learning models are not trusted in the clinical routine due to failing silently on out-of-distribution (OOD) data. We propose a lightweight OOD detection method that leverages the Mahalanobis distance in the feature space and seamlessly integrates into state-of-the-art segmentation pipelines.

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Novelty-Related fMRI Responses of Precuneus and Medial Temporal Regions in Individuals at Risk for Alzheimer Disease.

Neurology

August 2022

From the German Center for Neurodegenerative Diseases (DZNE) (O.V.B., G.Z., M.A., A.C.-B., W.G., C.M., R.Y., E.D., A.M.), Magdeburg; Institute of Cognitive Neurology and Dementia Research (IKND) (O.V.B., G.Z., H.S., A.C.-B., L.D., C.M., R.Y., E.D.), Otto-von-Guericke University, Magdeburg; German Center for Neurodegenerative Diseases (DZNE) (J.M.K., J.W., B.H.S.), Goettingen; Department of Behavioral Neurology (A. Richter, B.H.S.), Leibniz Institute for Neurobiology, Magdeburg; German Center for Neurodegenerative Diseases (DZNE) (S.A., P. Dahmen, S.D.F., O.P., L.P., J.P., E.J.S.), Berlin; Department of Psychiatry and Psychotherapy (S.A., A.L., J.P., E.J.S.), Charité; Department of Psychiatry and Psychotherapy (C.B., J.W., B.H.S.), University Medical Center Goettingen, University of Goettingen; German Center for Neurodegenerative Diseases (DZNE) (F.B., K.F., M.T.H., O.K., L.K., A. Schneider, A. Spottke, A. Ramirez, S.R., N.R., M.W., S.W., F.J.), Bonn; University of Bonn Medical Center (F.B., K.F., M.T.H., L.K., A. Schneider, A. Ramirez, M.W., S.W.); Department of Neurodegenerative Disease and Geriatric Psychiatry/Psychiatry, Bonn; MR-Research in Neurosciences (P. Dechent), Department of Cognitive Neurology, Georg-August-University Göttingen; Department of Psychosomatic Medicine (D.G., I.K., S.T.), Rostock University Medical Center; Bernstein Center for Computational Neuroscience (J.D.H.), Charité-Universitätsmedizin, Berlin; German Center for Neurodegenerative Diseases (DZNE) (I.K., S.T.), Rostock; German Center for Neurodegenerative Diseases (DZNE) (C.L., M.H.M.), Tübingen; Section for Dementia Research (C.L.), Hertie Institute for Clinical Brain Research and Department of Psychiatry and Psychotherapy, University of Tübingen; Department of Psychiatry (A. Rostamzadeh), Medical Faculty, University of Cologne; Department of Psychiatry and Psychotherapy (C.M.), Otto-von-Guericke University, Magdeburg; Systems Neurophysiology (M.H.M.), Department of Biology, Darmstadt University of Technology, Germany; Campus Benjamin Franklin, Department of Psychiatry (O.P, L.P.), Charité-Universitätsmedizin Berlin; Department for Biomedical Magnetic Resonance (K.S.), University of Tübingen; Department of Neurology (A. Spottke), University of Bonn; Division of Neurogenetics and Molecular Psychiatry (A. Ramirez, F.J.), Department of Psychiatry, Medical Faculty, University of Cologne; Excellence Cluster on Cellular Stress Responses in Aging-Associated Diseases (CECAD) (A. Ramirez, F.J.), University of Cologne, Köln, Germany; Department of Psychiatry & Glenn Biggs Institute for Alzheimer's and Neurodegenerative Diseases (A. Ramirez), San Antonio, TX; Neurosciences and Signaling Group (J.W.), Institute of Biomedicine (iBiMED), Department of Medical Sciences, University of Aveiro, Portugal; and Wellcome Centre for Human Neuroimaging (P.Z.), London, UK.

Background And Objectives: We assessed whether novelty-related fMRI activity in medial temporal lobe regions and the precuneus follows an inverted U-shaped pattern across the clinical spectrum of increased Alzheimer disease (AD) risk as previously suggested. Specifically, we tested for potentially increased activity in individuals with a higher AD risk due to subjective cognitive decline (SCD) or mild cognitive impairment (MCI). We further tested whether activity differences related to diagnostic groups were accounted for by CSF markers of AD or brain atrophy.

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Unlabelled: New Schiff bases functionalized with amide and phenolic groups synthesized by the condensation of 2-hydroxybenzaldehyde and 2-hydroxyacetophenone with amino acid amides which in turn were prepared in two steps from -Boc-amino acids and homoveraltrylamine through intermediate compounds -Boc-amino acids amides. The compounds were characterized by elemental analysis, FT-IR, UV-Vis, and NMR spectroscopy. The crystal structures of three Schiff bases were determined by single crystal X-ray diffraction.

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In this study, four new piperazinium salts, namely, 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, CHO·CHN·HO (); 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, CHN·CHO·HO (); 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate, CHN·CHO·HO (); and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12 hydrate, CHN·CFO·0.12HO (), have been synthesized.

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Crystal structures of six 4-(4-nitro-phenyl)-piperazin-1-ium salts.

Acta Crystallogr E Crystallogr Commun

May 2022

Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo University-CINN, Oviedo 33006, Spain.

Six piperazinium salts, namely 4-(4-nitro-phenyl)-piperazin-1-ium 4-bromo-ben-zo-ate dihydrate, CHNO ·CHBrO ·2HO, (I), 4-(4-nitro-phenyl)-pi-per-a-zin-1-ium 4-iodo-benzoate dihydrate, CHNO ·CHIO ·2HO, (II), 4-(4-nitro-phenyl)-piperazin-1-ium 4-hy-droxy-benzoate monohydrate, CHNO ·CHO ·HO, (III), 4-(4-nitro-phenyl)-piperazin-1-ium 4-methyl-benzoate monohydrate, CHNO ·CHO ·HO, (IV), 4-(4-nitro-phenyl)-piperazin-1-ium 4-meth-oxy-benzoate hemihydrate, 2CHNO ·2CHO ·HO, (V), and 4-(4-nitro-phenyl)-piperazin-1-ium 4-eth-oxy-benzoate, 2CHNO ·2CHO , (VI), have been synthesized and their crystal structures solved by single-crystal X-ray diffraction, revealing that all of them crystallize in the triclinic space group except for (V), which crystallizes in the monoclinic space group 2/ and has a disordered nitro group. Compounds (I) and (II) are isostructural. The crystal packing of (I)-(V) is constructed from organic chains formed by a combination of hydrogen bonds of type N-H⋯O and/or O-H⋯O and other weak inter-actions of type C-H⋯O and/or C-H⋯π, forming sheets, whereas (VI) shows a cationic and anionic-based layer structure.

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Processing of sensory information is embedded into ongoing neural processes which contribute to brain states. Electroencephalographic microstates are semi-stable short-lived power distributions which have been associated with subsystem activity such as auditory, visual and attention networks. Here we explore changes in electrical brain states in response to an audiovisual perception and memorization task under conditions of auditory distraction.

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Background: Inflammation has been described as a key pathogenic event in Alzheimer's disease (AD), downstream of amyloid and tau pathology. Preclinical and clinical data suggest that the cholinergic basal forebrain may moderate inflammatory response to different pathologies.

Objective: To study the association of cholinergic basal forebrain volume and functional connectivity with measures of neuroinflammation in people from the AD spectrum.

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