bluuebunny/crossref_metadata_2025_split huggingface dataset:
The MIND diet, brain transcriptomic alterations, and dementia
Authors: Li Jun , Capuano Ana W. , Agarwal Puja , Arvanitakis Zoe , Wang Yanling , De Jager Philip L. , Schneider Julie A. , Tasaki Shinya , de Paiva Lopes Katia , Hu Frank B. , Bennett David A , Liang Liming , Grodstein Francine 
Published: August 2024

AbstractINTRODUCTIONDietary patterns are associated with dementia risk, but the underlying molecular mechanisms are largely unknown.METHODSWe used RNA sequencing data from post mortem prefrontal cortex tissue and annual cognitive evaluations from 1204 participants in the Religious Orders Study and Memory and Aging Project. We identified a transcriptomic profile correlated with the MIND diet (Mediterranean‐Dietary Approaches to Stop Hypertension Intervention for Neurodegenerative Delay) among 482 individuals who completed ante mortem food frequency questionnaires; and examined its associations with cognitive health in the remaining 722 participants.RESULTSWe identified a transcriptomic profile, consisting of 50 genes, correlated with the MIND diet score (p = 0.001). Each standard deviation increase in the transcriptomic profile score was associated with a slower annual rate of decline in global cognition (β = 0.011, p = 0.003) and lower odds of dementia (odds ratio = 0.76, p = 0.0002). Expressions of several genes (including TCIM and IGSF5) appeared to mediate the association between MIND diet and dementia.DISCUSSIONA brain transcriptomic profile for healthy diets revealed novel genes potentially associated with cognitive health.Highlights
Why healthy dietary patterns are associated with lower dementia risk are unknown.
We integrated dietary, brain transcriptomic, and cognitive data in older adults.
Mediterranean‐Dietary Approaches to Stop Hypertension Intervention for Neurodegenerative Delay (MIND) diet intake is correlated with a specific brain transcriptomic profile.
This brain transcriptomic profile score is associated with better cognitive health.
More data are needed to elucidate the causality and functionality of identified genes.
Spatial and temporal patterns of cortical mean diffusivity in Alzheimer's disease and suspected non‐Alzheimer's disease pathophysiology
Authors: Sun Pan , He Zhengbo , Li Anqi , Yang Jie , Zhu Yalin , Cai Yue , Ma Ting , Ma Shaohua , Guo Tengfei ,   Alzheimer's Disease Neuroimaging Initiative
Published: August 2024

AbstractINTRODUCTIONThe spatial and temporal patterns of cortical mean diffusivity (cMD), as well as its association with Alzheimer's disease (AD) and suspected non‐Alzheimer's pathophysiology (SNAP), are not yet fully understood.METHODSWe compared baseline (n = 617) and longitudinal changes (n = 421) of cMD, cortical thickness, and gray matter volume and their relations to vascular risk factors, amyloid beta (Aβ), and tau positron emission tomography (PET), and longitudinal cognitive decline in Aβ PET negative and positive older adults.RESULTScMD increases were more sensitive to detecting brain structural alterations than cortical thinning and gray matter atrophy. Tau‐related cMD increases partially mediated Aβ‐related cognitive decline in AD, whereas vascular disease‐related increased cMD levels substantially mediated age‐related cognitive decline in SNAP.DISCUSSIONThese findings revealed the dynamic changes of microstructural and macrostructural indicators and their associations with AD and SNAP, providing novel insights into understanding upstream and downstream events of cMD in neurodegenerative disease.Highlights
Cortical mean diffusivity (cMD) was more sensitive to detecting structural changes than macrostructural factors.
Tau‐related cMD increases partially mediated amyloid beta–related cognitive decline in Alzheimer's disease (AD).
White matter hyperintensity–related higher cMD mainly explained the age‐related cognitive decline in suspected non‐Alzheimer's pathophysiology (SNAP).
cMD may assist in tracking earlier neurodegenerative signs in AD and SNAP.
Regulating Atomically‐Precise Pt Sites for Boosting Light‐Driven Dry Reforming of Methane
Authors: He Chengxuan , Li Qixin , Ye Zhicheng , Wang Lijie , Gong Yalin , Li Songting , Wu Jiaxin , Lu Zhaojun , Wu Shiqun , Zhang Jinlong 
Published: August 2024

AbstractLight‐driven dry reforming of methane is a promising and mild route to convert two greenhouse gas into valuable syngas. However, developing facile strategy to atomically‐precise regulate the active sites and realize balanced and stable syngas production is still challenging. Herein, we developed a spatial confinement approach to precisely control over platinum species on TiO2 surfaces, from single atoms to nanoclusters. The configuration comprising single atoms and sub‐nanoclusters engenders pronounced electronic metal‐support interactions, with resultant interfacial states prompting surface charge rearrangement. The unique geometric and electronic properties of these atom‐cluster assemblies facilitate effective activation of CH4 and CO2, accelerating intermediate coupling and minimizing side reactions. Our catalyst exhibits an outstanding syngas generation rate of 34.41 mol gPt−1 h−1 with superior durability, displaying high apparent quantum yield of 9.1 % at 365 nm and turnover frequency of 1289 h−1. This work provides insightful understanding for exploring more multi‐molecule systems at an atomic scale.
Ligand‐Enabled Gold‐Catalyzed Cyanation of Organohalides
Authors: Kumar Anil , Bhattacharya Nandita , Mane Manoj V. , Patil Nitin T. 
Published: August 2024

AbstractHerein, we disclose the first report on gold‐catalyzed C(sp2)‐CN cross‐coupling reaction by employing a ligand‐enabled Au(I)/Au(III) redox catalysis. This transformation utilizes acetone cyanohydrin as a nucleophilic cyanide source to convert simple aryl and alkenyl iodides into the corresponding nitriles. Combined experimental and computational studies highlighted the crucial role of cationic silver salts in activating the stable (P,N)‐AuCN complex towards the oxidative addition of aryl iodides to subsequently generate key aryl‐Au(III) cyanide complexes.
Nickel‐Catalyzed α‐selective Hydroalkylation of Vinylarenes
Authors: Wang Jia‐Wang , Zhu Qing‐Wei , Liu Deguang , Chen Pei‐Wen , Chen Hong‐Zhong , Lu Xi , Fu Yao 
Published: August 2024

AbstractC(sp3) centers adjacent to (hetero) aryl groups are widely present in physiologically active molecules. Metal‐hydride‐catalyzed hydroalkylation of alkenes represents an efficient means of forging C(sp3)−C(sp3) bonds, boasting advantages as a wide source of substrates, mild reaction conditions, and facile selectivity manipulation. Nevertheless, the hydroalkylation of vinylarenes encounters constraints in terms of substrate scope, necessitating the employment of activated alkyl halides or alkenes containing chelating groups, remains a challenge. In this context, we report a general nickel‐hydride‐catalyzed hydroalkylation protocol for vinylarenes. Remarkably, this system enables α‐selective hydroalkylation of both aryl and heteroaryl alkenes under an extra ligand‐free condition, demonstrating excellent coupling efficiency and selectivity. Furthermore, through the incorporation of chiral bisoxazoline ligands, we have achieved regio‐ and enantioselective hydroalkylation of vinylpyrroles, thereby facilitating the synthesis of α‐branched alkylated pyrrole derivatives.
Screening Strategy Identifies an Overlooked Deep‐Ultraviolet Transparent Nonlinear Optical Crystal
Authors: Zhang Jia‐Xiang , Yue Qing‐Gang , Zhou Sheng‐Hua , Wu Xin‐Tao , Lin Hua , Zhu Qi‐Long 
Published: August 2024

AbstractIn the deep‐ultraviolet (DUV) region, nonlinear optical (NLO) crystals must meet stringent requirements, including a large optical band gap and sufficient second harmonic generation (SHG) response. Typically, these criteria are fulfilled by borates, carbonates and nitrates containing π‐conjugated groups. In contrast, sulfates and phosphates, with polarizabilities significantly smaller than those of π‐conjugated groups, struggle to achieve similar performance. Here, we present the discovery of Mg2PO4Cl, a magnesium‐based phosphate, identified from over 10,000 phosphates based on a polar‐axial‐symmetry screening strategy, which exhibits the highest SHG response (5.2×KH2PO4 (KDP)) with phase‐matching ability among non‐π‐conjugated DUV transparent NLO crystals. This compound belongs to the Pna21 space group, with [PO4] units consistently aligned along the 21 screw axis and glide planes throughout its crystal structure. Theoretical calculations attribute its remarkable SHG effect to the orderly arrangement of heteroanionic [MgO5Cl] and [MgO4Cl2] polyhedra alongside isolated [PO4] tetrahedra, supported by Berry phase analysis. Furthermore, a crystallographic structure analysis of phosphates and sulfates with significant SHG effects validates the effectiveness of our screening strategy. These findings offer valuable insights into the origins of NLO effects in non‐π‐conjugated compounds from both a material design and structural chemistry perspective, inspiring future efforts to revitalize DUV phosphates.
Accessing Therapeutically‐Relevant Multifunctional Antisense Oligonucleotide Conjugates Using Native Chemical Ligation
Authors: Engelhardt Daniel , Nordberg Peter , Knerr Laurent , Malins Lara R. 
Published: August 2024

AbstractAntisense oligonucleotide (ASO) therapies hold significant promise in the realm of molecular medicine. By precisely targeting RNA molecules, ASOs offer an approach to modulate gene expression and protein production, making them valuable tools for treating a wide range of genetic and acquired diseases. As the precise intracellular targeting and delivery of ASOs is challenging, strategies for preparing ASO‐ligand conjugates are in exceedingly high demand. This work leverages the utility of native chemical ligation to conjugate ASOs with therapeutically relevant chemical modifications including locked nucleic acids and phosphorothioate backbone modifications to peptides and sugars via a stable amide linkage. A suite of post‐ligation functionalizations through modification of the cysteine ligation handle are highlighted, including chemoselective radical desulfurization, lipidation, and alkylation with a range of valuable handles (e.g. alkyne, biotin, and radionuclide chelating ligands), affording multifunctional constructs for further applications in biology and medicine. Application of the methodology to a clinically‐relevant triantennary‐GalNAc ASO conjugate and validation of its binding and functional activity underpins the applicability of the technique to oligonucleotide‐based therapeutics.
Accelerated First‐Principles Exploration of Structure and Reactivity in Graphene Oxide
Authors: El‐Machachi Zakariya , Frantzov Damyan , Nijamudheen A. , Zarrouk Tigany , Caro Miguel A. , Deringer Volker L. 
Published: August 2024

AbstractGraphene oxide (GO) materials are widely studied, and yet their atomic‐scale structures remain to be fully understood. Here we show that the chemical and configurational space of GO can be rapidly explored by advanced machine‐learning methods, combining on‐the‐fly acceleration for first‐principles molecular dynamics with message‐passing neural‐network potentials. The first step allows for the rapid sampling of chemical structures with very little prior knowledge required; the second step affords state‐of‐the‐art accuracy and predictive power. We apply the method to the thermal reduction of GO, which we describe in a realistic (ten‐nanometre scale) structural model. Our simulations are consistent with recent experimental findings, including X‐ray photoelectron spectroscopy (XPS), and help to rationalise them in atomistic and mechanistic detail. More generally, our work provides a platform for routine, accurate, and predictive simulations of diverse carbonaceous materials.
Unraveling the Anionic Redox Chemistry in Aqueous Zinc‐MnO2 Batteries
Authors: Wang Tianhao , Jin Junteng , Zhao Xudong , Qu Xuanhui , Jiao Lifang , Liu Yongchang 
Published: August 2024

AbstractActivating anionic redox reaction (ARR) has attracted a great interest in Li/Na‐ion batteries owing to the fascinating extra‐capacity at high operating voltages. However, ARR has rarely been reported in aqueous zinc‐ion batteries (AZIBs) and its possibility in the popular MnO2‐based cathodes has not been explored. Herein, the novel manganese deficient MnO2 micro‐nano spheres with interlayer “Ca2+‐pillars” (CaMnO‐140) are prepared via a low‐temperature (140 °C) hydrothermal method, where the Mn vacancies can trigger ARR by creating non‐bonding O 2p states, the pre‐intercalated Ca2+ can reinforce the layered structure and suppress the lattice oxygen release by forming Ca−O configurations. The tailored CaMnO‐140 cathode demonstrates an unprecedentedly high rate capability (485.4 mAh g−1 at 0.1 A g−1 with 154.5 mAh g−1 at 10 A g−1) and a marvelous long‐term cycling durability (90.6 % capacity retention over 5000 cycles) in AZIBs. The reversible oxygen redox chemistry accompanied by CF3SO3− (from the electrolyte) uptake/release, and the manganese redox accompanied by H+/Zn2+ co‐insertion/extraction, are elucidated by advanced synchrotron characterizations and theoretical computations. Finally, pouch‐type CaMnO‐140//Zn batteries manifest bright application prospects with high energy, long life, wide‐temperature adaptability, and high operating safety. This study provides new perspectives for developing high‐energy cathodes for AZIBs by initiating anionic redox chemistry.
Enhanced Catalytic Performance of Palladium‐Based Catalysts Modified With the Dibenzofuran Ligand for Acetylene Hydrochlorination
Authors: Ali Shahid , Wang Lu , Yan Haijun , Yang Chao , Wang Jide , Sun Hui , Li Xiaofei , Wu Ronglan , Liang Changhai 
Published: August 2024

ABSTRACTA new palladium‐based catalyst system modified with dibenzofuran (DBF) was developed for acetylene hydrochlorination. The optimal Pd‐DBF/SAC catalyst with the 0.5 wt% Pd loading and the 15 wt% DBF loading exhibits an elevated performance of 99.9% acetylene conversion and 99.9% vinyl chloride selectivity for more than 400 h. Characterization analysis and density functional theory (DFT) simulations revealed that the presence of oxygen‐containing DBF species of the Pd‐DBF/SAC catalyst prevents the reduction and loss of Pd species, inhibits the carbon deposition and enhances the HCl adsorbability, resulting in superior catalytic activity and stability for acetylene hydrochlorination.
Industrial process fault detection based on dynamic kernel principal component analysis combined with weighted structural difference
Authors: Zhang Cheng , Yan Feng , Deng Chenglong , Li Yuan 
Published: August 2024

AbstractThe practical application of traditional data‐driven techniques for process monitoring encounters significant challenges due to the inherent nonlinear and dynamic nature of most industrial processes. Aiming at the problem of nonlinear dynamic process monitoring, a novel fault detection method based on dynamic kernel principal component analysis combined with weighted structural difference (DKPCA‐WSD) is proposed in this paper. Initially, the proposed method leverages a sophisticated nonlinear transformation to project the augmented matrix of the original input data into a high‐dimensional feature space, thereby facilitating the establishment of a DKPCA model. Subsequently, the WSD statistic is computed, utilizing a widely known sliding window technique, to quantify the mean and standard deviation differences across data structures. Ultimately, the WSD statistic is utilized for fault detection, completing the process monitoring task. By integrating the capability of DKPCA to capture nonlinear dynamic characteristics with the effectiveness of the WSD statistic in mitigating the impact of non‐Gaussian data distributions, DKPCA‐WSD significantly enhances the monitoring performance of traditional DKPCA in nonlinear dynamic processes. The proposed method is evaluated through a numerical case exhibiting nonlinear dynamic behaviors and a simulation model of a continuous stirred tank reactor. A comparative analysis with conventional methods, including principal component analysis (PCA), dynamic principal component analysis, KPCA, PCA similarity factor (SPCA), DKPCA, and moving window KPCA (MWKPCA), demonstrates that DKPCA‐WSD outperforms traditional fault detection techniques in nonlinear dynamic processes, offering a substantial improvement in monitoring performance.
Finite Size Effects in Antiferromagnetic Highly Strained BiFeO3 Multiferroic Films
Authors: Sando Daniel , Appert Florian , Paull Oliver , Yasui Shintaro , Bessas Dimitrios , Findiki Abdeslem , Carrétéro Cécile , Garcia Vincent , Dkhil Brahim , Barthelemy Agnès , Bibes Manuel , Juraszek Jean , Valanoor Nagarajan 
Published: August 2024

AbstractEpitaxially strain‐engineered tetragonal (T)‐like BiFeO3 (BFO) is a multiferroic material with unique crystallographic and physical properties compared to its bulk rhombohedral parent. While the effect of this structural change on ferroelectric properties is understood, the influence on correlated antiferromagnetic (AFM) properties, especially with reduced film thickness, is less clear. Here, the AFM behavior of T‐like BFO films 9–58 nm thick on LaAlO3 (001) substrates fabricated by pulsed laser deposition was studied using conversion electron Mössbauer spectroscopy and X‐ray diffraction. The key findings include: i) Ultrathin T‐like BFO films (<10 nm) show a decoupling of magnetic and structural transitions, with the polar vector tilted 32 degrees from [001] in 9–13 nm films. ii) Films thinner than 13 nm exhibit no structural transition down to 150 K, with a Néel (TN) transition at ≈290 K, ≈35 K lower than thicker films. Interestingly, the TN scaling with thickness suggests realistic scaling exponents considering a critical correlation length for C‐type AFM order, rather than G‐type. The results show that finite size effects can tailor transition temperatures and modulate AFM wave modes in antiferromagnetic oxides, with implications for AFM spintronics for future information technologies.
Meridional shift of climatological tropical cyclone genesis location in the western North Pacific
Authors: Tong Haoyu , Li Tim , Pan Xiao 
Published: August 2024

AbstractClimatological monthly mean tropical cyclone (TC) genesis location in the western North Pacific exhibits a marked meridional shift from June to November and the physical cause of such a shift was investigated through the diagnosis of observational and reanalysis datasets. Two genesis potential indices were used to examine key environmental parameters affecting the meridional shift. The diagnosis results indicate that dynamic parameters such as vertical and meridional wind shears play a dominant role in promoting both the northward advance and southward retreat of the mean genesis latitude, while the effect of vertical velocity is negligible. The thermodynamic parameters such as relative humidity and potential intensity in general play a minor role, except that the latter helps promote northward advance during the early TC season. The change of the environmental parameters is closely linked to the sub‐seasonal evolution of the monsoon trough and subtropical high in the western North Pacific. Maximum synoptic‐scale variability also experiences a similar meridional shift, contributing to the TC genesis location shift.
The effect of volatility in linguistic input on prediction behavior in autistic toddlers
Authors: Prescott Kathryn E. , Mathée‐Scott Janine , Bolt Daniel , Saffran Jenny , Ellis Weismer Susan 
Published: August 2024

AbstractDomain‐general prediction differences have been posited as underlying many aspects of the cognitive‐behavioral profile in autism. An interesting potential implication of such differences is hyperplasticity of learning—the idea that autistic individuals may privilege more recent input over the accumulation of prior learning. Because real world language input is highly variable, hyperplasticity could have serious ramifications for language learning. To investigate potential hyperplasticity during a language processing task, we administered an experimental anticipatory eye movement (AEM) task to 2‐ to 3‐year‐old autistic children and neurotypical (NT) peers. Autistic children's change in anticipation from before to after a switch in contingencies did not significantly differ from NT counterparts, failing to support claims of hyperplasticity in the linguistic domain. Analysis of individual differences among autistic children revealed that cognitive ability was associated with prediction of the initial, stable contingencies, but neither age nor receptive language related to task performance. Results are discussed in terms of clinical implications and the broader context of research investigating prediction differences in autism.
Ein mechanisch konsistenter Ansatz für den Stabilitätsnachweis für Holzträger unter Druck und Biegung um die starke Achse – Teil 2
Authors: Wilden Vera , Hoffmeister Benno , Feldmann Markus 
Published: August 2024

AbstractDer Stabilitätsnachweis von schlanken, auf Biegung um die starke Achse beanspruchten Holzträgern kann mit einer nichtlinearen Computerberechnung oder nach dem Ersatzstabverfahren erfolgen. Allerdings, im Vergleich zu einem numerischen Querschnittsnachweis nach Theorie 2. Ordnung mit Ersatzimperfektionen, führt der Bauteilnachweis für Biegedrillknicken nach dem Ersatzstabverfahren mit Reduktionsfaktoren nach den derzeitigen Regeln zu unterschiedlichen Ergebnissen. Im vorliegenden Beitrag werden beide Nachweisverfahren näher untersucht. Im ersten Teil wurde ein mechanisch konsistenter Ansatz für Knickkurven des Biegeknickens und Biegedrillknickens unter Verwendung eines geeigneten eigenformaffinen Imperfektionsansatzes vorgestellt, dessen Ergebnisse mit einer geometrisch nichtlinearen Berechnung nach Theorie 2. Ordnung übereinstimmen. Es wurde dargelegt, dass auch die Effekte aus Plastizierung berücksichtigt werden können. In diesem zweiten Teil des Beitrags wird über Ergebnisse von Biegedrillknickversuchen an Brettschichtholzträgern mit weitestgehend idealen Randbedingungen und richtungstreuer Lasteinleitung berichtet. Daraus können weitere Imperfektionsgrößen bestätigt oder modifiziert werden, mit denen der hier vorgestellte Knickkurvenansatz für das Biegedrillknicken bedient werden kann.
Sicherheitsbeurteilung für Bauwerke in langsamen Großmassenbewegungen
Authors: Marte Roman , Hofmann Robert 
Published: August 2024

AbstractLangsame Großmassenbewegungen (SMLS) mit typischen jährlichen Bewegungsraten im Bereich von wenigen mm bis mehreren dm und Volumina von einigen 100.000 bis mehreren 100 Mio. m3 kommen im alpinen Raum sehr häufig vor und beeinflussen in vielen Fällen Siedlungsräume, Infrastrukturobjekte wie Straßen, Brücken, Tunnelbauwerke, aber auch Wasserspeicheranlagen, Schutzbauwerke etc. Während im Falle kleinerer Massenbewegungen durch den Einbau von geeigneten Stütz‐ und Sicherungsmaßnahmen den gültigen Richtlinien und Normen entsprechende Standsicherheiten nachgewiesen werden können, ist dies für große Massenbewegungen sowohl aus technischen wie auch aus wirtschaftlichen Gründen in vielen Fällen nicht möglich. Im gegenständlichen Beitrag werden alternative Nachweisprozedere und Beurteilungsmethoden für Bauwerke in derartigen langsamen Großmassenbewegungen vorgestellt, aber auch auf offene Fragen und Diskrepanzen zu den Forderungen in den gültigen Normen und Richtlinien eingegangen. Aufbauend auf den bisherigen Erfahrungen mit Praxisbeispielen werden in Abhängigkeit von der Änderung der Sicherheitszahl ΔFOS, den Änderungen von Bewegungsraten, von Sensitivitätsanalysen und der Beobachtungsmethode gezielte Beurteilungskriterien für eine Einschätzung der Nutzbarkeit von Siedlungsbereichen und baulichen Anlagen in SMLS angeführt.