bluuebunny/crossref_metadata_2025_split huggingface dataset:
Incorporation of intermediate wheatgrass (Thinopyrum intermedium) into bread wheat doughs: Effects on pasting and rheological properties
Authors: Trevisan Susane , Koksel Filiz , Cetiner Buket , Shamanin Vladimir P. , Pototskaya Inna V. , Ozdemir Bayram , Morgounov Alexey I. , Koksel Hamit 
Published: April 2024

AbstractBackground and ObjectivesIntermediate wheatgrass (IWG), a resilient perennial grain with adaptability to difficult climates, is emerging as a compelling candidate for sustainable food solutions in bakery product applications. This study evaluated the pasting and rheological properties of doughs made from bread wheat flour and blended bread wheat–IWG flours (IWG content: 15%, 30%, 45% and 60%), with the goal of exploring the potential of IWG flour as a nutritious and sustainable ingredient in cereal‐based products.FindingsThe RVA peak, trough, and final viscosity values significantly (p < .05) decreased, and the pasting temperature increased as the IWG substitution level increased. IWG‐containing flour blends had a lower retrogradation tendency compared to the control. As the IWG flour substitution level increased, both empirical (Mixograph, Kieffer dough and gluten extensibility, Glutograph) and fundamental (linear oscillatory frequency sweep and creep–recovery) rheological measurements indicated relatively weaker dough properties imparted by the addition of the IWG flour.ConclusionsThe outcomes of this research will shed light on the impacts of utilizing alternative grains, such as intermediate wheatgrass, in bakery applications. This will provide insights that could inform the development of nutritious and sustainable baked products to meet the demands of health‐conscious consumers.Significance and NoveltyThe dough weakening effect of the IWG flour was tolerated at the 15% IWG flour substitution level. At lower substitution levels, the IWG‐containing flour blends exhibited a lower retrogradation tendency compared to bread wheat flour, which could indicate lower staling of loaves of bread during bread storage without compromising the physical quality of bakery products. Finally, the present research fills a critical gap in the literature as it represents the first application of fundamental rheological methods at known and controlled strain and stresses to evaluate the physical properties of doughs prepared from IWG flour blends.
A Versatile Electrochemical Cell for Operando XAS
Authors: Ostervold Lars , Hoffman Adam S. , Thompson David , Bare Simon R. , Clark Ezra Lee 
Published: April 2024

AbstractIn situ and operando X‐ray absorption spectroscopy (XAS) provides fundamental insight into the working principles of electrocatalysts and is an important tool for future catalyst development. However, the design of an operando XAS electrocatalytic cell is not facile, and researchers designing cells, whether new cells or modifications to previous cells, often spend many hours on cell design before obtaining high‐quality XAS data. Here, we describe the design, with engineering drawings, and operation of a versatile XAS cell with options for gas flow, electrolyte flow, pH monitoring, temperature monitoring, and the ability to handle many catalyst forms (any catalyst that can be deposited onto a conductive X‐ray transparent substrate). We benchmarked XAS spectra collected using the new experimental cell to a previous cell design showing its ability to produce quality XAS data. We demonstrate the viability of this cell by providing insight into electrocatalysts by studying cation effects and show the tetrabutylammonium cation prevents bulk oxidation of copper. We hope the availability of this cell allows researchers to convert time typically spent on cell design to time spent on breakthroughs in electrocatalysis.
Synthesis, Characterization and Reactivity Studies of Cobalt(III) Porphyrin‐Iodosylarene Adduct and Cobalt(III) Porphyrin π‐Cation Radical Species
Authors: Fu Wenwen , Wang Shoujun , Zhang Yuheng , Xu Minghao , Sun Dongru , Nam Wonwoo , Wang Yong , Guo Mian 
Published: April 2024

AbstractBiomimetic metalloporphyrin complexes have been employed in a number of catalytic oxidation reactions by utilizing terminal oxidants such as iodosylarenes (ArIO). Although high‐valent metal‐oxo species have been considered as the reactive intermediates, their precursors, metal‐iodosylarene adduct species, also exhibit intriguing oxidation capability under certain conditions. However, late transition metal porphyrin‐oxidant adduct species have not been explored in oxidation reactions yet. Herein, we report the synthesis, characterization and reactivity studies of cobalt(III) porphyrin‐ArIO adduct complexes. These adduct species exhibit moderate oxidation capability in electron transfer reactions. More interestingly, addition of Brønsted acid or Lewis acid facilitated the O−I bond cleavage, resulted in the formation of cobalt(III) porphyrin π‐cation radical species, which is much more reactive than the corresponding adduct species in electron transfer reactions. Kinetic studies and theoretical calculations demonstrate that the O−I bond cleavage is triggered in the presence of acid, affording the porphyrin ligand oxidation while the formation of high‐valent cobalt‐oxo species is prohibited due to the “oxo‐wall” for late transition metals. This study provides a novel model of a late transition metal‐iodosylarene adduct species as an active oxidant in oxidation reactions, while in the cases of iron and manganese complexes, high‐valent metal‐oxo species are generated.
Magnetically Reusable Carbon Nanotube Coated Co‐based Catalysts towards Highly Efficient Transfer Hydrogenation of Nitroarenes
Authors: Ma Zongyan , Chen Jing , Chen Ming , Dong Linkun , Mao Weiwen , Long Yu , Ma Jiantai 
Published: April 2024

AbstractDevelopment of efficient and stable non‐noble metal catalysts applied to the catalytic transfer hydrogenation of nitroarenes under mild conditions is still challenging. Herein, we report magnetically recyclable catalysts prepared via simple two‐stage pyrolysis of Co‐MOF‐74 and melamine composites. The optimized catalyst Co@C/CNTs‐10‐700 shows excellent conversion and selectivity towards transfer hydrogenation of nitroarenes with different hydrogen donors. Its excellent stability against formic acid corrosion makes it can be used in a wide range. The excellent catalytic performance can be ascribed to the synergistic effect between carbon nanotubes and Co nanoparticles. Furthermore, the catalyst was easily recycled owing to its magnetism and reused up to ten consecutive cycles without significant loss of activity, indicating that the excellent catalytic stability holds great promise in fields of industrial application.
Catalytic Asymmetric Approach to 1,3,4,5‐Tetrahydro‐1,4‐benzodiazepin‐2‐ones in One‐Pot
Authors: Battaglia Vincenzo , Meninno Sara , Astone Armando , Lattanzi Alessandra 
Published: April 2024

AbstractHerein we illustrate a first asymmetric synthesis of medicinally attractive tetrahydro‐1,4‐benzodiazepin‐2‐ones performed under catalytic conditions and one‐pot fashion. The process relies on a sequential Knoevenagel reaction/asymmetric epoxidation/domino ring‐opening cyclization (DROC) using commercially available aldehydes, phenylsulfonylacetonitrile, cumyl hydroperoxide, 2‐(aminomethyl)aniline and a readily available quinine‐derived urea as the catalyst. The heterocycles have been isolated with good regioselectivity, satisfactory to good yield and up to 98 % ee. The protocol proved also to be suitable for the preparation of previously undescribed 1,5‐dihydro‐4,1‐benzoxazepin‐3(2H)‐ones with up to 86 % ee.
Metal Free Functionalization of Saturated Heterocycles with Vinylarenes and Pyridine Enabled by Photocatalytic Hydrogen Atom Transfer
Authors: Xu Junhua , Liu Bin 
Published: April 2024

AbstractSaturated heterocycles are important class of structural scaffolds in small‐molecule drugs, natural products, and synthetic intermediates. Here, we disclosed a metal free, mild, and scalable functionalization of saturated heterocycles using vinylarenes as a linchpin approach. Key to success of this transformation is the employing of simple and cheap benzophenone as a hydrogen atom transfer (HAT) catalyst. This operationally robust process was used for the making of diverse functionalized saturated heterocycles. Furthermore, aldehydes, alkane, and alcohol have been functionalized under the optimized conditions. The potential pharmaceutical utility of the procedure has also been demonstrated by late‐stage functionalization of bioactive natural compounds and pharmaceutical molecules. Initial mechanism studies and control experiments were performed to elucidate the mechanism of the reactions
Synthesis and Lewis Acid Properties of Neutral Silver(III) Adducts Containing the AgIII(CF3)3 Moiety
Authors: Demonti Luca , Joven‐Sancho Daniel , Saffon‐Merceron Nathalie , Baya Miguel , Nebra Noel 
Published: April 2024

AbstractThe acetonitrile AgIII complex [AgIII(CF3)3(NCCH3)] (2) has been reported independently by Eujen and Naumann in the last century, albeit with intriguing NMR discrepancy. In their reports, 2 was claimed to be obtained starting from either [AgIII(CF3)3Cl]− (3⋅Cl) or [AgIII(CF3)4]− (1) via halide abstraction using AgNO3 or acidic treatment, resp. These two synthetic routes are herein reinvestigated. The feasibility of Naumann's method is demonstrated, thus providing 2 yet accompanied by its s‐triazinyl derivative [AgIII(CF3)3(C6H9N3)] (2’). The formation of 2’ is unprecedented and was thereby investigated. Both 2 and 2’ were isolated in pure fashion and fully characterized. In turn, halide extraction from 3⋅Cl leads to the AgIII‐ONO2 anion 5 instead of 2, as evidenced by NMR spectroscopy, EA and Sc‐XRD.
Explosion pressure and duration prediction using machine learning: A comparative study using classical models with Adam‐optimized neural network
Authors: Idris Ahmad Muzammil , Rusli Risza , Mohamed Moamen Elsayed , Ramli Ahmad Fakrul , Nasif Mohammad Shakir , Lim Jeng Shiun 
Published: April 2024

AbstractThe application of machine learning (ML) for the prediction of gas explosion pressure remains limited, and the prediction of the explosion duration is nearly non‐existent. A series of dispersion and subsequent explosion computational fluid dynamics (CFD) simulations were conducted to determine explosion pressure and duration values. These results were used to train classical ML models, that is, support vector regression (SVR), random forest (RF), and decision tree (DT) models. Additionally, a multi‐output Adam‐optimized artificial neural network (ANN) model was employed for performance comparison. All the models demonstrated respectable predictions for both parameters, while the RF model demonstrated the highest performance based on the metrics analyzed, followed by the DT model. The proposed gas volume and gas volume blockage ratio (gas‐VBR) emerged as the most crucial feature for predicting explosion pressure, while the monitoring point and gas‐VBR was the most important feature for explosion duration. It is recommended to consider the gas‐VBR feature in future studies rather than solely focusing on blockage ratio or obstacle location. The model proposed was compared with models from previous studies for predicting explosion pressure. The findings conclusively demonstrate that the multi‐output model outperforms the compared models, offering a notable advantage in its ability to predict both gas explosion pressure and duration.
“To prescribe or not to prescribe, that is the question”: Perspectives on opioid prescribing for chronic, cancer‐related pain from clinicians who treat pain in survivorship
Authors: Bulls Hailey W. , Hamm Megan , Wasilewski Julia , Olejniczak Donna , Bell Sarah G. , Liebschutz Jane M. 
Published: April 2024

ABSTRACTBackgroundOpioid pain management in cancer survivorship is a complex and understudied topic.MethodsThe authors conducted in‐depth, qualitative interviews to understand clinician approaches to opioid pain management in chronic cancer pain and to generate ideas for improvement. They used a rigorous, inductive, qualitative, descriptive approach to examine clinician (n = 20) perspectives about opioid pain management in survivorship, including oncologists (n = 5), palliative care clinicians (n = 8), primary care clinicians (n = 5), and pain management specialists (n = 2).ResultsThe findings indicated that no consistent medical home exists for chronic pain management in cancer survivors and that there are fundamental differences in how each subspecialty approaches chronic pain management in survivorship (e.g., “Do we think of this as noncancer pain or cancer pain?… This is in this limbo zone—this gray zone—because it's cancer‐related pain, right?”). Simultaneously, clinicians are influenced by their peers' perceptions of their opioid prescribing decisions, sparking intraprofessional tension when disagreement occurs. In these instances, clinicians described overthinking and doubting their clinical decision‐making as well as a sense of judgment, pressure, and/or shame. Finally, clinicians acknowledged a fear of consequences for opioid prescribing decisions. Specifically, participants cited conflict with patients, sometimes escalating to aggression and threats of violence, as well as potential disciplinary actions and/or legal consequences.ConclusionsParticipants suggested that opportunities to improve chronic cancer pain care include developing clear, systematic guidance for chronic cancer pain management, facilitating clinician communication and consultation, creating tailored survivorship care plans in partnership with patients, and developing accessible, evidence‐based, complementary pain treatments.
Atomic Scale Insights into Reversible Oxygen Storage in Vanadium Oxide Thin Films
Authors: Missaoui Ghada , Wemhoff Piotr Igor , Nilius Niklas 
Published: April 2024

AbstractMonolayer vanadium oxide films grown on Pt(111) can be reversibly switched between an oxygen‐poor and an oxygen‐rich composition, equivalent to V2O3 and V2O5, respectively. While the overall oxygen storage capacity of the film is quantified by X‐ray photoelectron spectroscopy, the atomic binding sites of the extra O species are determined by low‐temperature scanning tunneling microscopy and electron diffraction. In the O‐poor phase, the oxide takes the form of a honeycomb lattice that gets partially covered with vanadyl (V=O) groups at higher O exposure. Upon transition to the O‐rich phase, isolated V6O12 rings emerge in the film first, which then evolves towards a disordered O−V−O trilayer on the Pt(111) surface. Our works thus unravels the microscopic nature of reversible oxygen storage in a model system for heterogeneous catalysis.
Electrochemical Nitrogen Reduction to Ammonia at Ambient Condition on the (111) Facets of Transition Metal Carbonitrides
Authors: Iqbal Atef , Skulason Egill , Abghoui Younes 
Published: April 2024

AbstractWe conducted Density Functional Theory calculations to investigate a class of materials with the goal of enabling nitrogen activation and electrochemical ammonia production under ambient conditions. The source of protons at the anode could originate from either water splitting or H2, but our specific focus was on the cathode reaction, where nitrogen is reduced into ammonia. We examined the conventional associative mechanism, dissociative mechanism, and Mars‐van Krevelen mechanism on the (111) facets of the NaCl‐type structure found in early transition metal carbonitrides, including Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, Sc, Y, and W. We explored the catalytic activity by calculating the free energy of all intermediates along the reaction pathway and constructing free energy diagrams to identify the steps that determine the reaction‘s feasibility. Additionally, we closely examined the potential for catalyst poisoning within the electrochemical environment, considering the bias required to drive the reaction. Furthermore, we assessed the likelihood of catalyst decomposition and the potential for catalyst regeneration among the most intriguing carbonitrides. Our findings revealed that the only carbonitride catalyst considered here exhibiting both activity and stability, capable of self‐regeneration and nitrogen‐to‐ammonia activation, is NbCN with a low potential‐determining step energy of 0.58 eV. This material can facilitate ammonia formation via a mixed associative‐MvK mechanism. In contrast, other carbonitrides of this crystallographic orientation are likely to undergo decomposition, reverting to their parent metals under operational conditions.
Cyclodextrins‐Based Polyrotaxanes: From Functional Polymers to Applications in Electronics and Energy Storage Materials
Authors: Du Ruichun , Bao Tianwei , Kong Deshuo , Zhang Qiuhong , Jia Xudong 
Published: April 2024

AbstractThe concept of polyrotaxane comes from the rotaxane structure in the supramolecular field. It is a mechanically interlocked supramolecular assembly composed of linear polymer chains and cyclic molecules. Over recent decades, the synthesis and application of polyrotaxanes have seen remarkable growth. Particularly, cyclodextrin‐based polyrotaxanes have been extensively reported due to the low‐price raw materials, good biocompatibility, and ease of modification. Hence, it is also one of the most promising mechanically interlocking supramolecules for wide industrialization in the future. Polyrotaxanes are widely introduced into materials such as elastomers, hydrogels, and engineering polymers to improve their mechanical properties or impart functionality to the materials. In these materials, polyrotaxane acts as a slidable cross‐linker to dissipate energy through sliding or assist in dispersing stress concentration in the cross‐linked network, thereby enhancing the toughness of the materials. Further, the unique sliding‐ring effect of cyclodextrin‐based polyrotaxanes has pioneered advancements in stretchable electronics and energy storage materials. This includes their innovative use in stretchable conductive composite and binders for anodes, addressing critical challenges in these fields. In this mini‐review, our focus is to highlight the current progress and potential wider applications in the future, underlining their transformative impact across various domains of material science.
The Isothermal and Non‐Isothermal Growth Behaviors of Ca2Nb2O7 in Molten Slag
Authors: Han Wensheng , Ran Mengjie , Chen Chang , Chen Wen 
Published: April 2024

AbstractCalcium pyroniobate (Ca2Nb2O7) as a kind of lead‐free piezoelectric material has been applied for different fields, but the study of isothermal and non‐isothermal growth behaviors of Ca2Nb2O7 in the molten slag is infrequent. In this paper, the in situ thermal analyzer with a single hot thermocouple technique (SHTT) is used to study the growth behaviors of Ca2Nb2O7 in molten slag. In the isothermal temperatures, the Ca2Nb2O7 presents two kinds of growth morphology, including three dimensional (3D) rhombus growth and fibrous one dimensional (1D) growth. The 3D rhombus is grown under the range of 1608 to 1628 K. When the temperature further decreases to 1593 K, the growth behavior of Ca2Nb2O7 becomes fibrous in 1D. Growth velocity affected by the degree of supercooling may account for the phenomenon of two kinds of growth behaviors in different temperatures. In the non‐isothermal growth process, the cooling rate over 10 K min−1 contributes to multiple crystal nucleuses growth of Ca2Nb2O7. The cooling rate below 5 K min−1 leads to single nuclear growth. This paper provides a control guideline for Ca2Nb2O7 growth.
A Pyrophosphate Bifunctional Cathode with Inductive Effect for High–Voltage and Self–Charging Zinc Ion Battery
Authors: Deng Yifan , Li Hongcheng , Yan Yuekai , Zhang Minggang , Chang Peng , Mei Hui , Cheng Laifei , Zhang Litong 
Published: April 2024

AbstractWith the growing demand for new energy storage devices, rechargeable aqueous zinc ion batteries (ZIBs) have attracted widespread attention due to their low cost and high safety. Among the cathode materials for ZIBs, polyanionic–based cathode materials with high voltage, high stability, and low cost have great potential. In this paper, tetragonal Na2VOP2O7 was prepared using a simple sol–gel method. The discharge platform voltage amounted to 1.8 V and had good rate and cycle performance due to the inductive effect of pyrophosphate. Then, a protective layer of Zn–hydroxyapatite (ZnHAP) modification was applied to the cathode surface, which can inhibit the hydrolysis of vanadium ions. The capacity was enhanced by 19 % after modification and the capacity retention after 100 cycles was also higher. Interestingly, the Na2VOP2O7 cathode also possesses a self–charging effect, recovering to 48 % of its initial capacity with an open–circuit voltage (OCV) of 1.1 V within a certain period, and light exposure can reduce the self–charging time by 83 %. These beneficial results indicate that the pyrophosphate bifunctional cathode with inductive effect has a great potential to construct high–voltage and multifunctional zinc ion battery.
Social relationships, amyloid burden, and dementia: The ARIC‐PET study
Authors: Groechel Renée C. , Liu Albert C. , Liu Chelsea , Knopman David S. , Koton Silvia , Kucharska‐Newton Anna M. , Lutsey Pamela L. , Mosley Thomas H. , Palta Priya , Sharrett A. Richey , Walker Keenan A. , Wong Dean F. , Gottesman Rebecca F. 
Published: April 2024

AbstractINTRODUCTIONThis study aimed to assess whether social relationships in mid‐life reduce the risk of dementia related to amyloid burden.METHODSParticipants in the Atherosclerosis Risk in Communities (ARIC) study were assessed for social support and isolation (visit 2; 1990–1992). A composite measure, “social relationships,” was generated. Brain amyloid was evaluated with florbetapir positron emission tomography (PET); (visit 5; 2012–2014). Incident dementia cases were identified following visit 5 through 2019 using ongoing surveillance. Relative contributions of mid‐life social relationships and elevated brain amyloid to incident dementia were evaluated with Cox regression models.RESULTSAmong 310 participants without dementia, strong mid‐life social relationships were associated independently with lower dementia risk. Elevated late‐life brain amyloid was associated with greater dementia risk.DISCUSSIONAlthough mid‐life social relationships did not moderate the relationship between amyloid burden and dementia, these findings affirm the importance of strong social relationships as a potentially protective factor against dementia.