bluuebunny/crossref_metadata_2025_split huggingface dataset:
Integrating amyloid imaging and genetics for early risk stratification of Alzheimer's disease
Authors: He Bing , Wu Ruiming , Sangani Neel , Pugalenthi Pradeep Varathan , Patania Alice , Risacher Shannon L. , Nho Kwangsik , Apostolova Liana G. , Shen Li , Saykin Andrew J. , Yan Jingwen ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: September 2024

AbstractINTRODUCTIONAlzheimer's disease (AD) initiates years prior to symptoms, underscoring the importance of early detection. While amyloid accumulation starts early, individuals with substantial amyloid burden may remain cognitively normal, implying that amyloid alone is not sufficient for early risk assessment.METHODSGiven the genetic susceptibility of AD, a multi‐factorial pseudotime approach was proposed to integrate amyloid imaging and genotype data for estimating a risk score. Validation involved association with cognitive decline and survival analysis across risk‐stratified groups, focusing on patients with mild cognitive impairment (MCI).RESULTSOur risk score outperformed amyloid composite standardized uptake value ratio in correlation with cognitive scores. MCI subjects with lower pseudotime risk score showed substantial delayed onset of AD and slower cognitive decline. Moreover, pseudotime risk score demonstrated strong capability in risk stratification within traditionally defined subgroups such as early MCI, apolipoprotein E (APOE) ε4+ MCI, APOE ε4– MCI, and amyloid+ MCI.DISCUSSIONOur risk score holds great potential to improve the precision of early risk assessment.Highlights
Accurate early risk assessment is critical for the success of clinical trials.
A new risk score was built from integrating amyloid imaging and genetic data.
Our risk score demonstrated improved capability in early risk stratification.
Polyphenol Oxidase Activity on Guaiacyl and Syringyl Lignin Units
Authors: de O. G. Silva Caio , Sun Peicheng , Barrett Kristian , Sanders Mark G. , van Berkel Willem J. H. , Kabel Mirjam A. , Meyer Anne S. , Agger Jane W. 
Published: September 2024

AbstractThe natural heterogeneity of guaiacyl (G) and syringyl (S) compounds resulting from lignin processing hampers their direct use as plant‐based chemicals and materials. Herein, we explore six short polyphenol oxidases (PPOs) from lignocellulose‐degrading ascomycetes for their capacity to react with G‐type and S‐type phenolic compounds. All six PPOs catalyze the ortho‐hydroxylation of G‐type compounds (guaiacol, vanillic acid, and ferulic acid), forming the corresponding methoxy‐ortho‐diphenols. Remarkably, a subset of these PPOs is also active towards S‐compounds (syringol, syringic acid, and sinapic acid) resulting in identical methoxy‐ortho‐diphenols. Assays with 18O2 demonstrate that these PPOs in particular catalyze ortho‐hydroxylation and ortho‐demethoxylation of S‐compounds and generate methanol as a co‐product. Oxidative (ortho−) demethoxylation of S‐compounds is a novel reaction for PPOs, which we propose occurs by a distinct reaction mechanism as compared to aryl‐O‐demethylases. We further show that addition of a reducing agent can steer the PPO reaction to form methoxy‐ortho‐diphenols from both G‐ and S‐type substrates rather than reactive quinones that lead to unfavorable polymerization. Application of PPOs opens for new routes to reduce the heterogeneity and methoxylation degree of mixtures of G and S lignin‐derived compounds.
Employing Singlet‐Singlet Energy Transfer for Boosting the Reactivity of Type I Photoinitiators in Radical Photopolymerization
Authors: Niederst Léo , Allonas Xavier , Morone Marika , van den Branden Stefan 
Published: September 2024

AbstractA remarkable and unexpected increase in the photopolymerization efficiency of an acrylic resin by a bisacylphosphine oxide photoinitiator was observed when an optical brightener was present in the medium. High values for the maximal rates of photopolymerization were obtained by RT‐FTIR at 365 nm under a very low irradiance of 1 mW/cm2. Fluorescence studies revealed that the quenching process occurs through singlet‐singlet energy transfer between the first singlet excited state of the optical brightener and the ground state photoinitiator. This mechanism acts as an additional pathway for the excitation of the photoinitiator, thereby increasing the total amount of initiating radicals. Using the Förster resonance energy transfer model, we calculated the relative efficiency of the photosensitization process with respect to the direct excitation efficiency of the photoinitiator. The results demonstrate that the photosensitization process can be predicted, paving the way for further improvements in photoinitiating systems.
Elektrochemische Identifizierung und Quantifizierung von Durchgangs‐Protonenkanälen in Graphenoxid‐Membranen
Authors: Wang Yiqing , Eigler Siegfried 
Published: September 2024

AbstractMembranen aus Graphenoxid (GO) sind aufgrund ihrer Protonenleitfähigkeit vielversprechende Kandidaten für Energieanwendungen. Kanäle in diesen Membranen sind für die Funktion verantwortlich. Deren Identifizierung ist aber aufgrund ihrer anisotropen Natur herausfordernd. Hier wird eine elektrochemische Reduktionsmethode zur Identifizierung und Quantifizierung von durchgehenden Protonenkanälen in GO‐Membranen vorgestellt. Der Schlüssel hierzu liegt in der optischen Beobachtung der Membranen und der auftretenden Kontrastveränderung, wenn GO elektrochemisch reduziert wird. Es wurden drei protonendominierte Dreiphasengrenzflächen gefunden, die für die Reduktionsreaktionen von GO‐Membranen entscheidend sind. Basierend auf diesen Ergebnissen wird eine Methode zur Identifizierung und Quantifizierung von Durchgangskanälen in gestapelten GO‐Protonenmembranen vorgeschlagen, die eine einfache Drei‐Elektroden‐Apparatur in Kombination mit Echtzeit‐Bildgebung der Membranoberfläche verwendet.
A Helicene‐Based Single‐Molecule Inductor and Capacitor with Frequency‐Dependent Charge‐Transport Pathways
Authors: He Pengxing , Ye Jingyao , Zhang Junrui , Lu Taige , Cui Wenying , Liu Junyang , Shen Chengshuo , Hong Wenjing , Liu Xunshan 
Published: September 2024

AbstractDespite extensive studies has been explored on single‐molecule switches and rectifiers, the design of single‐molecule inductors has not been explored due to the experimental challenges in the investigation of frequency‐dependent charge transport at the single‐molecule scale. In this study, we synthesized a helicene‐based helical molecular wire and carried out meticulous single‐molecule conductance measurements, combined with current–voltage (IV) studies with varying frequencies using the scanning tunneling microscope break junction (STM‐BJ) technique. Our results reveal the formation of a single‐molecule junction and highlight the unique behavior of the molecular wire in response to different alternating current (AC) varying frequencies. The transport of charges occurs selectively either through the coiled backbone of the conjugated helical structure or vertically via π–π stacking, depending on the frequency of the applied AC. Notably, our investigation demonstrates the functionality of the wire as an inductor at low frequencies, and a capacitor at high frequencies. This work lays the foundation for a systematic approach to designing, fabricating, and implementing single‐molecule logic devices such as inductors and wave filters.
Control of Dynamic Chirality in Donor‐Acceptor Fluorophores
Authors: Coehlo Max , Frédéric Lucas , Poulard Laurélie , Ferdi Nawal , Estaque Lilian , Desmarchelier Alaric , Clavier Gilles , Dognon Jean‐Pierre , Favereau Ludovic , Giorgi Michel , Naubron Jean‐Valère , Pieters Gregory 
Published: September 2024

AbstractRecently, the control of dynamic chirality has emerged as a powerful strategy to design chiral functional materials. In this context, we describe herein a molecular design in which a tethered configurationally stable binaphthyl chiral unit efficiently controls the dynamic chirality of donor‐acceptor fluorophores, involving diverse indolocarbazoles as electron donors and terephthalonitrile as an electron acceptor. The high conformational discrimination in such a molecular system suggested by density functional theory calculations is experimentally probed using electronic and vibrational circular dichroism and confirmed by the crystallization of these chiral molecules in gel and their single crystal X‐ray diffraction analysis. This work also highlights the positive effect of the configurationally stable chiral unit on the magnitude of the dissymmetry factors of the active dynamically chiral fluorophores, both in ground and excited states, through chiral perturbation.
Triple Regulations via Fe Redox Boosting Nitrate Reduction to Ammonia at Industrial Current Densities
Authors: Yang Wenhao , Chang Ziwei , Yu Xu , Shen Ruxiang , Wang Lianzhou , Cui Xiangzhi , Shi Jianlin 
Published: September 2024

AbstractElectrochemical nitrate reduction reaction (NO3−RR) has promising prospects for green synthesis of ammonia and environmental remediation. However, the performance of catalysts at high current density usually suffers from the high energy barrier for the nitrate (NO3−) to nitrite (NO2−) and the competitive hydrogen evolution. Herein, we proposed a two‐step relay mechanism through spontaneous redox reaction followed electrochemical reaction by introducing low‐valence Fe species into Ni2P nanosheets to significantly enhance the NO3−RR performance at industrial current density. The existence of low‐valence Fe species bypasses the NO3− to NO2− step through the spontaneous redox with NO3− to produce NO2− and Fe2O3, regulates the electronic structure of Ni2P to reduce the barrier of NO2− to NH3, thirdly prohibits the hydrogen evolution by consuming the excess active hydrogen through reduction of Fe2O3 to recover low‐valence Fe species. The triple regulations via Fe redox during the two‐step relay reactions guarantee the Fe‐Ni2P@NF high ammonia yield of 120.1 mg h−1 cm−2 with Faraday efficiency of more than 90% over a wide potential window and a long‐term stability of more than 130 h at ~1000 mA cm−2. This work provides a new strategy to realize the design and synthesis of nitrate reduction electrocatalysts at high current densities.
Enabling Visible Light Sensitization of YbIII, NdIII and ErIII in Dimeric LnIII/GaIII Metallacrowns through Functionalization with RuII Complexes for NIR‐II Multiplex Imaging
Authors: Bădescu‐Singureanu Codruţa C. , Nizovtsev Anton S. , Pecoraro Vincent L. , Petoud Stéphane , Eliseeva Svetlana V. 
Published: September 2024

AbstractMultiplex imaging in the second near‐infrared window (NIR‐II, 1000–1700 nm) provides exciting opportunities for more precise understanding of biological processes and more accurate diagnosis of diseases by enabling real‐time acquisition of images with improved contrast and spatial resolution in deeper tissues. Today, the number of imaging agents suitable for this modality remains very scarce. In this work, we have synthesized and fully characterized, including theoretical calculations, a series of dimeric LnIII/GaIII metallacrowns bearing RuII polypyridyl complexes, LnRu‐3 (Ln=YIII, YbIII, NdIII, ErIII). Relaxed structures of YRu‐3 in the ground and the excited electronic states have been calculated using dispersion‐corrected density functional theory methods. Detailed photophysical studies of LnRu‐3 have demonstrated that characteristic emission signals of YbIII, NdIII and ErIII in the NIR‐II range can be sensitized upon excitation in the visible range through RuII‐centered metal‐to‐ligand charge transfer (MLCT) states. We have also showed that these NIR‐II signals are unambiguously detected in an imaging experiment using capillaries and biological tissue‐mimicking phantoms. This work opens unprecedented perspectives for NIR‐II multiplex imaging using LnIII‐based molecular compounds.
Novel Cu(II) and Zn(II) Nanocomplexes Based on 5,6‐Diphenyl‐1,2,4‐Triazine: Preparation, Spectroscopic, TD‐DFT Calculations, Molecular Docking and Solvatochromic Studies
Authors: Boshra Mona , Adly Omima M. I. , Abdelrhman Ebtesam M. , Eid Mohamed F. , Samy Fatma 
Published: September 2024

ABSTRACTThe reaction between 2‐hydroxy‐1‐naphthaldehyde and 3‐hydrazino‐5,6‐diphenyl‐1,2,4‐triazine produced a novel hydrazone ligand (DTHMN), which reacted with Cu(II) and Zn(II) metal ion in molar ratio 1:1, giving octahedral Cu(II)‐DTHMN and tetrahedral Zn(II)‐DTHMN nanosized complexes. The structural geometries have been elucidated on the basis of elemental analysis, nuclear magnetic resonance, infrared, electronic, and electron spin resonance spectra, and magnetic and molar conductance measurements as well as x‐ray diffraction and thermal analysis. TEM analysis showed that Zn(II)‐DTHMN complex has nano‐rode morphology shape. On the other hand, Cu(II)‐DTHMN has sphere shape within nanodomain. The DTHMN ligand exhibits ONN chelating sites through N‐triazine ring, azomethine nitrogen, and deprotonated OH group, forming the mononuclear metal complexes. The synthesized compounds showed a distinct solvatochromic behavior in different polar solvents. A bathochromic alteration is observed when moving from less to high polar solvents, indicating strong solute–solvent interactions accompanied by intramolecular charge transfer (ICT). The ground and excited state dipole moments of these compounds were determined experimentally by solvatochromic shift method using Bilot–Kawski, Lippert–Mataga, Bakhshiev, and Kawski–Chamma–Viallet functions and a microscopic Reichardt's solvent polarity parameter (ETN). The dipole moment is increased significantly upon excitation referring to stabilizing the excited species includes n–π* transition by polarity of solvent. The experimental results are generally consistent with those values obtained by B3LYP/GENECP method at 6‐311G(d,p) basis set for C, H, N, and O atoms and SDD (Stuttgart/Dresden) basis set for the metal atoms. The compounds were tested for antimicrobial efficiency against Gram‐positive bacteria, Gram‐negative bacteria, and fungus strain. Finally, molecular docking was used to study the interactions between donors (the current compounds) and receptors FabH–CoA complex (PDB code: 1HNJ).
Preparation of magnetic scaffolds via supercritical carbon dioxide foaming process using iron oxide nanoparticles coated with CO2‐philic materials as nucleating agents
Authors: Jiao Zhen , Zhang Shuo , Wang Jinjing , Zhang Yi 
Published: September 2024

AbstractThe iron oxide nanoparticles (IONs), coated with different materials, are synthesized and utilized as nucleating agents to prepare magnetic multi‐modal porous scaffolds of poly (lactic‐co‐glycolic acid)/IONs using the supercritical carbon dioxide (ScCO2) foaming process. The effects of the modification materials, including citric acid, polycaprolactone, and polyvinyl acetate, on the foaming process and properties of the magnetic scaffolds are systematically investigated. The results indicate that the solubility and diffusion ability of CO2 in the foaming materials played a vital role in the foaming process. The use of CO2‐philic materials and high pressure proves beneficial in generating micropores. The scaffolds with multi‐modal porous structures can be obtained at relatively low pressure for the ScCO2 foaming systems evaluated in this study. Furthermore, the prepared scaffolds exhibit high porosity and a good compressive modulus (higher than 0.4 MPa), satisfying the requirements of tissue engineering for soft tissue scaffolds.
Anatomical description of a pygmy sperm whale, Kogia breviceps (Cetacea: Kogiidae), pre‐term calf using CT scan and 3D reconstructions
Authors: Bennati‐Madureira Lara , Gomes Gabriel Leandro , Daros Kellen Adriana Curci , Casas André Luis da Silva 
Published: September 2024

AbstractLittle is known about the biology of pygmy sperm whales, Kogia breviceps (De Blainville, 1838), being that most anatomical descriptions for the species derive from necropsy after stranding or from osteological material preserved in museums. This species is rarely seen despite its wide distribution, and its reproductive behaviour is still being investigated. The eventual occurrence of pregnant female strandings and the collection and description of foetuses can give clues about the organisms' mostly unknown early development. However, this type of biological material is extremely rare, limiting anatomical analysis due to the risk of damage or loss. Here, we describe the external and internal anatomy of an 84 cm long K. breviceps foetus. The methods utilised were non‐intrusive, meaning that no incisions were made on the specimen. The foetus was analysed using computed tomography images and a three‐dimensional reconstruction of the skeleton. A great number of features were observed, such as axial and appendicular skeletal structures, internal organs, echolocation apparatus and umbilical cord, as well as diagnostic characters of the species, such as the asymmetrical skull, spermaceti chamber and false gill pigmentation. We suggest that more specimens on different stages of development should be analysed by the same technique, as well as further comparison with specimens from other taxa, in order to facilitate more comparative studies on embryonic and foetal development of cetaceans.
EGB761 ameliorates mild cognitive impairment by inhibiting the pyroptosis and apoptosis in both in vivo and in vitro experiments
Authors: Zhang Xiaolu , Sun Yingxin , Zheng Yujia , Zhang Ruifeng , Yan Xu , Wei Huayuan , Yang Lin , Jiang Xijuan 
Published: September 2024

AbstractMild cognitive impairment (MCI) is a neurodegenerative condition that is clinically prevalent among the elderly. EGB761 is widely recognized for its promising therapeutic properties in both the prevention and treatment of neurodegenerative disorders. The aim of this study was to investigate the effects of EGB761 in MCI and the underlying molecular mechanism. Four‐month‐old SAMP8 mice were used as an in vivo MCI model, and BV2 microglial cells were treated with β‐amyloid (Aβ) 1–42 to establish an in vitro model. First, the cognitive function was evaluated by the Morris water maze. Then, Aβ levels were measured by enzyme‐linked immunosorbent assay. Finally, the underlying molecular mechanism was investigated both in vivo and in vitro. It was found that EGB761 treatment improved the cognitive impairment of SAMP8 mice. In addition, EGB761 inhibited NOD‐like receptor protein 3 inflammasome‐mediated pyroptosis‐related mRNAs and proteins and reduced pyroptosis markers, including gasdermin D fluorescence intensity, propidium iodide‐positive cell count, and the lactate dehydrogenase content. Furthermore, EGB761 inhibited extrinsic and intrinsic apoptosis. Thus, EGB761 had protective effects against pyroptosis and apoptosis in BV2 microglial cells induced by Aβ1‐42 and SAMP8 mice.
Unraveling the Genetics of Shared Clinical and Serological Manifestations in Patients With Systemic Inflammatory Autoimmune Diseases
Authors: Bianchi Matteo , Kozyrev Sergey V. , Notarnicola Antonella , Sandling Johanna K. , Pettersson Mats , Leonard Dag , Sjöwall Christopher , Gunnarsson Iva , Rantapää‐Dahlqvist Solbritt , Bengtsson Anders A. , Jönsen Andreas , Svenungsson Elisabet , Enocsson Helena , Kvarnström Marika , Forsblad‐d'Elia Helena , Bucher Sara Magnusson , Norheim Katrine B. , Baecklund Eva , Jonsson Roland , Hammenfors Daniel , Eriksson Per , Mandl Thomas , Omdal Roald , Padyukov Leonid , Andersson Helena , Molberg Øyvind , Diederichsen Louise Pyndt , Syvänen Ann‐Christine , Wahren‐Herlenius Marie , Nordmark Gunnel , Lundberg Ingrid E. , Rönnblom Lars , Lindblad‐Toh Kerstin ,   with the DISSECT consortium and the ImmunoArray consortium
Published: September 2024

ObjectiveSystemic inflammatory autoimmune diseases (SIADs) such as systemic lupus erythematosus (SLE), primary Sjögren disease (pSS), and idiopathic inflammatory myopathies (myositis) are complex conditions characterized by shared circulating autoantibodies and clinical manifestations, including skin rashes, among others. This study was aimed at elucidating the genetics underlying these common features.MethodsWe performed targeted DNA sequencing of coding and regulatory regions from approximately 1,900 immune‐related genes in a large cohort of 2,292 well‐characterized Scandinavian patients with SIADs with SLE, pSS, and myositis as well as 1,252 controls. A gene‐based functionally weighted genetic score for aggregate testing of all genetic variants, including rare variants, was complemented by in silico functional analyses and in vitro reporter experiments.ResultsCase–control association analysis detected known and potentially novel genetic loci in agreement with previous genetic and transcriptomics findings linked to the SIAD autoimmune background. Intriguingly, case–case comparisons between patient subgroups with and without specific autoantibodies revealed that the subgroups defined by antinuclear antibodies and anti–double‐stranded DNA antibodies have unique genetic profiles reflecting their heterogeneity. When focusing on clinical features, we overall showed that dual‐specificity phosphatase 1 (DUSP1) protective genetic variants lead to increased gene expression and potentially to anti‐inflammatory effects on the SIAD‐associated skin phenotype. This is consistent with recent genetic findings on eczema and with the previously reported down‐regulation of the MAPK signaling‐related gene DUSP1 in other skin disorders.ConclusionTogether, this suggests common molecular mechanisms potentially underlying overlapping clinical manifestations shared among different disorders and informs clinical heterogeneity, which could be translated to improve disease diagnostic and treatment, also in more generalized disease frameworks.
Sanierung des Gottfried‐Böhm‐Parkhauses
Authors: Walz Marcus , Sauer Marc , Scherzer Jan , Muratovic Edin 
Published: September 2024

AbstractDas von Gottfried Böhm entworfene und 1986 fertiggestellte Parkhaus Stadtmitte in Landau ist ein markantes Beispiel expressionistischer Betonarchitektur. Es steht unter Denkmalschutz und ist bekannt für die ästhetische Verwendung von rötlich pigmentiertem Beton, der an den roten Pfälzer Sandstein erinnert. Das fünfgeschossige Gebäude mit einer Nutzfläche von 9000 m2 bietet Platz für 300 Fahrzeuge. Es hat eine offene Fassade mit unregelmäßigen Brüstungselementen, die an Felsen erinnern, und einen verglasten Aufzugsturm an der Ostfassade, der den Blick auf die Stadt freigibt. Die Konstruktion besteht überwiegend aus Stahl‐ und Spannbetonfertigteilen, das Dachtragwerk ist in Stahl ausgeführt. Die Geschosse sind halbgeschossig versetzt, um die Anpassung an das Gelände zu erleichtern. Die Eigentümerin, die VR Bank Südpfalz eG, initiierte im Jahr 2021 die Sanierung des Parkhauses aufgrund von Schäden durch Chlorideintrag und schadhaften Vergussfugen. Besondere Maßnahmen waren die nahezu vollständige Erneuerung der untersten Parkebene, der Einbau von Spannbetonfertigteilträgern und das Aufbringen eines hochfesten Oberflächenschutzes.