bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolating Single and Few Atoms for Enhanced Catalysis
Authors: Chen Yang , Lin Jian , Jia Baohua , Wang Xiaodong , Jiang Shuaiyu , Ma Tianyi 
Published: May 2022

AbstractAtomically dispersed metal catalysts have triggered great interest in the field of catalysis owing to their unique features. Isolated single or few metal atoms can be anchored on substrates via chemical bonding or space confinement to maximize atom utilization efficiency. The key challenge lies in precisely regulating the geometric and electronic structure of the active metal centers, thus significantly influencing the catalytic properties. Although several reviews have been published on the preparation, characterization, and application of single‐atom catalysts (SACs), the comprehensive understanding of SACs, dual‐atom catalysts (DACs), and atomic clusters has never been systematically summarized. Here, recent advances in the engineering of local environments of state‐of‐the‐art SACs, DACs, and atomic clusters for enhanced catalytic performance are highlighted. Firstly, various synthesis approaches for SACs, DACs, and atomic clusters are presented. Then, special attention is focused on the elucidation of local environments in terms of electronic state and coordination structure. Furthermore, a comprehensive summary of isolated single and few atoms for the applications of thermocatalysis, electrocatalysis, and photocatalysis is provided. Finally, the potential challenges and future opportunities in this emerging field are presented. This review will pave the way to regulate the microenvironment of the active site for boosting catalytic processes.
Conductive Ink with Circular Life Cycle for Printed Electronics
Authors: Kwon Junpyo , DelRe Christopher , Kang Philjun , Hall Aaron , Arnold Daniel , Jayapurna Ivan , Ma Le , Michalek Matthew , Ritchie Robert O. , Xu Ting 
Published: May 2022

AbstractElectronic waste carries energetic costs and an environmental burden rivaling that of plastic waste due to the rarity and toxicity of the heavy‐metal components. Recyclable conductive composites are introduced for printed circuits formulated with polycaprolactone (PCL), conductive fillers, and enzyme/protectant nanoclusters. Circuits can be printed with flexibility (breaking strain ≈80%) and conductivity (≈2.1 × 104 S m−1). These composites are degraded at the end of life by immersion in warm water with programmable latency. Approximately 94% of the functional fillers can be recycled and reused with similar device performance. The printed circuits remain functional and degradable after shelf storage for at least 7 months at room temperature and one month of continuous operation under electrical voltage. The present studies provide composite design toward recyclable and easily disposable printed electronics for applications such as wearable electronics, biosensors, and soft robotics.
General Synthesis and Solution Processing of Metal–Organic Framework Nanofibers
Authors: Li Si‐Cheng , Hu Bi‐Cheng , Shang Li‐Mei , Ma Tao , Li Chao , Liang Hai‐Wei , Yu Shu‐Hong 
Published: May 2022

AbstractBy virtue of their extraordinarily high surface areas, ordered pore structures, various compositions, and rich functionality, metal–organic frameworks (MOFs) are of great interest in diverse fields such as gas separation, sensing, catalysis, energy, environment science, and biomedicine. However, the difficulty in processing MOF crystals and controlling the MOF superstructure is emerging as a critical issue in their application. Herein, it is reported that a robust template, i.e., nanofibrillated cellulose (NFC), can be used for the synthesis of MOF materials with 1D nanofiber morphology. NFC@MOF core–shell nanofibers with a uniform network structure and high aspect ratios can be prepared by use of this template. The small crystal size, flexibility, and good dispersity of the NFC@MOF nanofibers make it convenient for the macroscale assembly and solution processing of MOF materials. A proof‐of‐concept study is demonstrated wherein freestanding MOF nanofiber membranes represent good performance in applications of water treatment and heterogeneous catalysis reaction. This general synthesis and solution‐processing strategy may herald a new era in promoting the industrial application of MOFs.
A Scalable Laser‐Centric Fabrication of an Epidermal Cardiopulmonary Patch
Authors: Rachim Vega Pradana , Lee Jina , Kim Young‐Chan , Oh Joosung , Jeong Unyong , Park Sung‐Min 
Published: May 2022

AbstractRecent advances in scalable fabrication methods based on printing technologies have improved the yield and lowered the cost of manufacturing epidermal sensors. However, modern technologies still require expensive multi‐bio‐ink raw materials. A laser‐centric fabrication method that realizes a cost‐effective, scalable, and streamlined fabrication process with easily used material and equipment is reported. The fabricated epidermal patch can quickly respond to the demands of personalized models. Here, the epidermal sensor patch is applied to continuous monitoring of the human cardiopulmonary system. The sensor performs conventional bio‐signal monitoring but is also extendible to other monitoring forms. The patch provides enhanced functions through its gas‐permeable and skin‐adhesive microporous layer and its stretchable, conformal, and biocompatible multimodal sensing layer. The utility of the proposed sensor patch in clinical diagnosis in a mobile healthcare environment is demonstrated in multiple bio‐signal‐morphology analyses.
Prediction of Henry's law constants by matrix completion
Authors: Hayer Nicolas , Jirasek Fabian , Hasse Hans 
Published: May 2022

AbstractMethods for predicting Henry's law constants Hij are important as experimental data are scarce. We introduce a new machine learning approach for such predictions: matrix completion methods (MCMs) and demonstrate its applicability using a data base that contains experimental Hij values for 101 solutes i and 247 solvents j at 298 K. Data on Hij are only available for 2661 systems i + j. These Hij are stored in a 101 × 247 matrix; the task of the MCM is to predict the missing entries. First, an entirely data‐driven MCM is presented. Its predictive performance, evaluated using leave‐one‐out analysis, is similar to that of the Predictive Soave‐Redlich‐Kwong equation‐of‐state (PSRK‐EoS), which, however, cannot be applied to all studied systems. Furthermore, a hybrid of MCM and PSRK‐EoS is developed in a Bayesian framework, which yields an unprecedented performance for the prediction of Hij of the studied data set.
Controlling the Structure, Properties and Surface Reactivity of Clickable Azide‐Functionalized Au25(SR)18 Nanocluster Platforms Through Regioisomeric Ligand Modifications
Authors: Gunawardene Praveen N. , Martin Julia , Wong Jonathan M. , Ding Zhifeng , Corrigan John F. , Workentin Mark S. 
Published: May 2022

AbstractTo fine‐tune structure–property correlations of thiolate‐protected gold nanoclusters through post‐assembly surface modifications, we report the synthesis of the o, m, and p regioisomeric forms of the anionic azide‐functionalized [Au25(SCH2CH2‐C6H4‐N3)18]1− platform. They can undergo cluster–surface strain‐promoted alkyne–azide cycloaddition (CS‐SPAAC) chemistry with complementary strained‐alkynes. Although their optical properties are similar, the electrochemical properties appear to correlate with the position of the azido group. The ability to conduct CS‐SPAAC chemistry without altering the parent nanocluster structure is different as the isomeric form of the surface ligand is changed, with the [Au25(SCH2CH2‐p‐C6H4‐N3)18]1− isomer having the highest reaction rates, while the [Au25(SCH2CH2‐o‐C6H4‐N3)18]1− isomer is not stable following CS‐SPAAC. Single‐crystal X‐ray diffraction provide the molecular structure of the neutral forms of the three regioisomeric clusters, [Au25(SCH2CH2‐o/m/p‐C6H4‐N3]0, which illustrates correlated structural features of the central core as the position of the azido moiety is changed.
Impact of magnetic ionic liquids as catalystson the curing process of epoxy/anhydride system: Mechanistic investigation and dynamic‐mechanical analysis
Authors: Freitas Gabriel , Henriques Ruan R. , Calheiros Loan S. , Soares Bluma G. 
Published: May 2022

AbstractCyclic acid anhydride – based hardeners provide excellent physic‐mechanical and thermal properties to epoxy networks. However, the curing process takes place at relatively high temperature, thus limiting the applications as coatings and free‐heating devices. The present work describes for the first time the efficient catalytic action of imidazolium‐ and phosphonium‐ based ionic liquids (IL) bearing iron tetrachloride (FeCl4) as counteranion for the curing process of epoxy prepolymer (EP)/methyl tetrahydrophthalic anhydride (MTHPA) even at room temperature. Indeed, both differential scanning calorimetry and rheological analysis revealed that the addition of 5 phr of trihexyl (tetradecyl)‐phosphonium iron tetrachloride (P66614. FeCl4) resulted in faster curing process when compared with systems cured with conventional tertiary amine. The gelation at room temperature occurred before 24 h with this magnetic IL. Moreover, the systems catalyzed by P66614. FeCl4 presented higher glass transition temperature, higher storage modulus and higher crosslink density as indicated by dynamic‐mechanical analysis (DMA). A mechanism for the curing process was proposed based on DSC and Fourier transform infrared analysis. These results highlight the importance of magnetic ILs as catalysts for the curing process of EP/MTHPA system and open new avenues for applications of this system as a room temperature‐based curing system.
Cucurbit[10]uril‐mediated Supramolecular Assembly for Optically Tunable Dimers and Near White‐light Emissive Materials
Authors: Yang Mao‐Xia , Luo Yang , Zhang Wei , Lin Wen‐hao , He Jiao , Shan Pei‐hui , Tao Zhu , Xiao Xin 
Published: May 2022

AbstractCucurbit[10]uril (Q[10]), the cucurbit[n]uril with a large cavity, exhibits several new features in the development of the host‐guest complex. Thus, based on Q[10] and π‐conjugated molecule, oligo(p‐phenylenevinylene) derivative (OPVCOOH), the host‐guest complexes with three different interaction ratios of 1 : 2, 2 : 2, and 3 : 2 assemblies (Q[10]: guest) were fabricated. Depending on the host/guest ratio, the emission color of these complexes ranged from blue to yellow‐green. The extra Fe2+ coordinated with a bare carboxyl group of the Q[10]‐OPVCOOH (3 : 2) assembly, obstructing its rotaxane structure and forming Q[10]‐OPVCOOH‐Fe2+ assembly, which may be used as a coating for near‐white LED bulbs.
Package deals in multi‐issue bilateral bargaining
Authors: Rapoport Amnon , Seale Darryl A. , Kugler Tamar , Gisches Eyran J. , Jie Yun 
Published: May 2022

AbstractThis manuscript proposes a novel mechanism of multi‐issue bilateral bargaining under incomplete information. A single seller and single buyer negotiate the prices of multiple items by submitting offers and counteroffers in which the items are traded as a package deal. Trade occurs if the sum of the individual profits across all items is non‐negative. We experimentally compare a simultaneous protocol, where the two sets of price offers are submitted simultaneously, to a sequential protocol, where traders exchange offers and counteroffers with a deadline before submitting independently their final asks and bids. Our results show that the participants concluded more trades under the sequential protocol, that they shaved their price offers considerably, and that they often traded‐off price offers, sustaining negative profit on one or more of their items to increase their expected total profit.
Revisiting the effect of incentivization on cognitive reflection: A meta‐analysis
Authors: Yechiam Eldad , Zeif Dana 
Published: May 2022

AbstractThe effect of performance‐based incentives on judgment biases is a controversial issue. A recent extensive meta‐analysis of Brañas‐Garza et al. (2019, https://doi.org/10.1016/j.socec.2019.101455) found no effect of incentives on performance in the cognitive reflection test (CRT), a test commonly used for assessing heuristic versus deliberative judgments. We conducted a meta‐analysis of studies that directly compared an incentive versus no‐incentive conditions (n = 2836) and found a small positive effect of incentivization (Cohen's d = .21) on CRT performance. In addition, we re‐examined the Brañas‐Garza et al. (2019) dataset (n = 39,385), taking into consideration not only whether incentivization was used but also the nominal and fiscal size of the incentive. The results show that surprisingly when including only studies that used monetary incentives, the effect of incentivization and incentive size are significant, even when taking into consideration other aspects of the studies. The results thus suggest a small but robust effect of incentives on judgment biases.
HDL‐mediated reduction of cholesterol content inhibits the proliferation of prostate cancer cells induced by LDL: Role of ABCA1 and proteasome inhibition
Authors: Ossoli Alice , Giorgio Eleonora , Cetti Federica , Ruscica Massimiliano , Rabacchi Claudio , Tarugi Patrizia , Parini Paolo , Pedrelli Matteo , Gomaraschi Monica 
Published: May 2022

AbstractHigh‐density lipoproteins (HDL) are well known for their atheroprotective function, mainly due to their ability to remove cell cholesterol and to exert antioxidant and anti‐inflammatory activities. Through the same mechanisms HDL could also affect the development and progression of tumors. Cancer cells need cholesterol to proliferate, especially in hormone‐dependent tumors, as prostate cancer (PCa). Aim of the study was to investigate the ability of HDL to modulate cholesterol content and metabolism in androgen receptor (AR)‐positive and AR‐null PCa cell lines and the consequences on cell proliferation. HDL inhibited colony formation of LNCaP and PC3 cells. HDL reduced cell cholesterol content and proliferation of LNCaP cells loaded with low‐density lipoproteins but were not effective on PC3 cells. Here, the expression of the ATP‐binding cassette transporter A1 (ABCA1) was markedly reduced due to proteasome degradation. Bortezomib, a proteasome inhibitor, restored ABCA1 expression and HDL ability to promote cholesterol removal from PC3; consequently, HDL inhibited the proliferation of PC3 cells induced by LDL only after bortezomib pre‐treatment. In conclusion, the antiproliferative activity of HDL on AR‐positive and AR‐null PCa cells also rely on cholesterol removal, a process in which the ABCA1 transporter plays a key role.
Speaking up versus standing one's ground: The role of women's social networks in confronting street harassment
Authors: Iqbal Yeshim 
Published: May 2022

AbstractStreet harassment against women is an understudied form of gender‐based violence that severely limits women's safety and freedoms. One potential way of addressing street harassment is directly intervening against it, that is, the woman experiencing harassment confronts the perpetrator. However, this may be difficult to do in contexts where harassment is pervasive. In the context of a grassroots women's empowerment organisation in Dhaka, Bangladesh, I examined the relationship between women's positions in the social network structure of a group that espouses a norm of speaking up against street harassment, and their levels of displaying this behaviour. I hypothesised that an individual's network centrality would be associated with their engagement in behaviours that are prescribed by the group social norm; specifically, speaking up against street harassment. This hypothesis was not supported. However, exploratory analyses indicated that network centrality was a significant (negative) predictor of the participant's tendency to remove herself from the situation when harassed and a significant positive predictor of self‐efficacy for intervening against street harassment. This indicates that position in the network may play a role in confronting street harassment, though not through originally hypothesised mechanisms. Theoretical and pragmatic implications of these findings for engaging in intervention against street harassment are discussed.
Nectar Sugar Composition, Standing Nectar Crop and Floral Visitor Diversity of Three Endemic Plant Species from Western Ghats Biodiversity Hot‐Spot of India
Authors: Pachpor Tejaswini , Sonne Mrunalini , Bhatt Alap , Parkar Kshitija , Shahane Sneha , Mestry Pratiksha , Kulkarni Shivani , Ogale Hemant , Patwardhan Ankur 
Published: May 2022

AbstractPlant insect interactions are governed by various factors. Nectar availability and floral nectar composition play a significant role in deciding the pollinator pool that visits a particular plant species. This study investigates nectar sugar composition and volume from three endemic species from Western Ghats of India viz. Canthium dicoccum (Gaertn.) Teijsm. & Binn., Ligustrum perrottetii A. DC., and Wendlandia thyrsoidea (Roth) Steud., in their natural habitats. Our results demonstrate intraspecific variation in nectar sugar composition in these endemic plant species. Fructose, mannose and glucose sugars were found in the nectar of all three species. In addition to these three, arabinose was found in Ligustrum and sucrose in Canthium. Nectar volume showed variations in bagged and unbagged conditions. The highest average nectar quantity was found in Canthium (1.27 μl/flower), followed by Ligustrum (0. 31 μl/flower), and Wendlandia (0.14 μl/flower). Floral visitor diversity with a specific emphasis on butterflies showed the highest number of visitors on Ligustrum i. e., 42 out of 45 total butterfly species across all three plant species. This is the first report of standing nectar crop and nectar‐sugar composition data compiled for these plant species.
The Effect of Ru Precursor and Support on the Hydrogenation of Aromatic Aldehydes/Ketones to Alcohols
Authors: Chaudhari Chandan , Sato Katsutoshi , Miyahara Shin‐ichiro , Yamamoto Tomokazu , Toriyama Takaaki , Matsumura Syo , Kusuda Kohei , Kitagawa Hiroshi , Nagaoka Katsutoshi 
Published: May 2022

AbstractSupported Ru catalysts were prepared by using different Ru precursors and examined for the hydrogenation of benzaldehyde to CHM. The catalyst prepared from Ru3(CO)12 precursor and HT support exhibited high yield of CHM. Moderate acidic and basic nature of HT was favourable to control the selectivity for CHM. The physicochemical properties analysis revealed that highly dispersed Ru nanoparticles were effective for the hydrogenation of benzaldehyde. RuCO/HT catalyst was tolerant to different functional groups and was stable until 7th cycle of recycle study.
Boosting Synergy of Polymetal Phosphides by Core‐Shell Design of Prussian Blue Analogue Precursors as Electrocatalysts for Water Splitting
Authors: Ying Qi , Ni Shaofeng , Zhang Hongyu , Yu Fengjiao , Yang Yang 
Published: May 2022

AbstractOxygen and hydrogen evolution reactions (OER and HER) are crucial for electrochemical water splitting, which is however hindered by the high cost of noble metal catalysts. Here, we present that by designing the core‐shell distribution of Prussian blue analogues, NiFe‐P@CoFe‐P nanocubes with various shell‐thickness are obtained to unlock the synergy of metal phosphides. The NiFe‐P@CoFe‐P nanocubes display a low overpotential of 248 mV at 10 mA cm−2 and great stability that outperform commercial RuO2 catalyst towards OER. We find that the OER and HER activity of NiFe‐P@CoFe‐P are dependent on the shell thickness, suggesting both the surface and sublayers determine the catalytic performance. Moreover, we demonstrate the water splitting under alkaline condition in an H‐cell powered by commercial photovoltaics using NiFe‐P@CoFe‐P catalyst, which is a promising approach for the conversion of solar energy.
Covalently Immobilized 2‐Deoxyribose‐5‐phosphate Aldolase (DERA) for Biocatalysis in Flow: Utilization of the 3‐Hydroxyaldehyde Intermediate in Reaction Cascades
Authors: Hindges née Bramski Julia , Döbber Johannes , Hayes Marc R. , Classen Thomas , Pohl Martina , Pietruszka Jörg 
Published: May 2022

AbstractC−C bond forming enzymes, such as 2‐deoxyribose‐5‐phosphate aldolase (DERA), are an important class of enzymes in synthesis. The use of DERA, with its reaction routes to the double aldol product, is an established method for producing statin side chains in industry. Herein, the selective synthesis of 3‐hydroxyaldehydes as single aldol products of DERA is presented. Successful covalent immobilization of a suitable Escherichia coli (Ec) DERA variants with C47M and C47V exchanges, respectively, enabled their use in continuous synthesis. Precise reaction control using flow chemistry made the selective formation of 3‐hydroxyoctanal from hexanal possible. For optimization, a systematic approach of design of experiment (DoE) was used, resulting in 90 % conversion. Furthermore, five two‐step reaction systems have been established to scavenge the reactive single aldol product combining biocatalysis in flow mode and a consecutive chemical reactions step either in flow (continuous flow mode) or in batch (semi‐continuous flow mode).
Multiscale modelling of multizone gas phase propylene (co)polymerization reactors—A comprehensive review
Authors: Kulajanpeng Kusuma , Sheibat‐Othman Nida , Tanthapanichakoon Wiwut , McKenna Timothy F. L. 
Published: May 2022

AbstractCatalysts and polymerization processes have evolved over the years. Such significant developments have allowed producers to broaden the range of polymer microstructure and process productivity, thereby making it possible to offer a wide range of end‐use properties at a reasonably low cost. However, these advantages in catalyst performance and reactor operation require that we understand as much as possible about reactor operation in the broadest sense. In addition to the fundamental experimental study of polymer chemistry, this means that one needs to develop complete, robust process models. The present paper provides a rapid overview of recent developments in various gas phase propylene (co)polymerization reactors in use today, concentrating on multizone gas phase polypropylene reactors: that is, multizone circulating reactor, fluidized bed reactor with internal circulation, fluidized bed reactor with external circulation, and horizontal stirred bed reactor. We then concentrate on the advances in multiscale modelling of gas phase propylene (co)polymerization reactors, from microscale kinetics at the active sites, to the mesoscale, including physical transport and thermodynamic modelling at the single‐particle level and its boundary layer, up to the macroscale reactor modelling. A systematic guideline used for the selection of appropriate thermodynamic models is proposed for gas phase olefin polymerization processes. Finally, current challenges and remaining issues related with the development of mathematical multiscale modelling are addressed.