bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solvent Engineering of Ionic Liquids for Stable and Efficient Perovskite Solar Cells
Authors: Wang Fei , Zhou Xianfang , Liang Xiao , Duan Dawei , Ge Chuang-Ye , Lin Haoran , Zhu Quanyao , Li Liang , Hu Hanlin 
Published: November 2022

Solution‐processed perovskite solar cells (PSCs) are widely and dramatically developed with certificated record efficiency up to 25.7%, which have been regarded as the most promising candidates for next‐generation photovoltaic devices. However, the current decent devices are dominantly fabricated based on traditional toxic organic solvents such as N,N‐dimethylformamide and dimethyl sulfoxide, which inevitably leads to environmental damage and potential safety accidents. As green and nontoxic molten salts at room temperature, ionic liquids (ILs) as promising alternatives for traditional toxic organic solvents have attracted intensive research interest worldwide in the field of perovskite photovoltaics with encouraging development. Herein, especially concentrating on ILs solvent engineering rather than additive or post‐treatment, discussion and summarization upon the recent progress on perovskite photovoltaics including both 3D and 2D‐based PSCs is systematically carried out. An in‐depth understanding regarding the interactions between IL molecules and perovskite precursor materials is thoroughly explored and summarized. Moreover, the detailed influence of ILs as solvent(s) on the aspects of perovskite material crystallization regulation, surface defect passivation, and performance improvement of resultant device is comprehensively overviewed and discussed. Finally, prospects of the application of ILs in the PSCs through solvent engineering are provided for further developments.
Multivariate analyses reveal key traits in the identification of nitrogen‐use‐efficient cultivars of common beans
Authors: Zeffa Douglas Mariani , Moda‐Cirino Vania , dos Santos Neto José , Scapim Carlos Alberto , Simões Azeredo Gonçalves Leandro 
Published: November 2022

AbstractCommon bean (Phaseolus vulgaris L.) cultivars with higher nitrogen‐use efficiency (NUsE) are considered to be the main strategy to reduce the dependence on nitrogen (N) fertilizers. In this sense, the objective of this study was to identify key traits and common bean cultivars with higher NUsE using multivariate statistical approaches. Forty carioca common bean cultivars were analyzed in four environments under absence‐ (0 kg N ha−1) and presence N (40 kg N ha−1) applied as top‐dressing. A total of 15 NUsE‐related traits were evaluated. Multivariate analyses of variance identified the presence of a three‐way interaction of genotype, N level, and environment, showing that the differential behavior of cultivars depended on the N level and environment evaluated. Strong multicollinearity was observed among the total set of traits studied; however, after removal criteria used, a collection of eight traits remained for subsequent analyses. The path analysis indicated that the dry matter biomass could be used for the indirect determination of NUsE in contrasting N conditions. The cultivars IAC‐Alvorada, IPR Sabiá, and IPR Saracura performed the best from those selected in both N conditions by factor analysis. The cultivars that stood out positively in this study can be used as parents in breeding programs aimed at developing cultivar with higher NUsE and less dependence on N fertilizers.
Soil mineral nitrogen content and grain yield with enhanced efficiency fertilizers in maize
Authors: Torralbo Fernando , Boardman Dara , Houx James H. , Fritschi Felix B. 
Published: November 2022

AbstractUrea is the most common N fertilizer worldwide, but N from urea breakdown can be easily lost through ammonia (NH3) volatilization, ammonium (NH4+) nitrification, nitrate (NO3−) denitrification or NO3−–leaching processes. Enhanced efficiency fertilizers (EEFs) are formulated to minimize N losses and maximize plant N uptake and crop yields. The capacity of urea EEFs (urea with urease inhibitor, nitrification inhibitor, both urease and nitrification inhibitors, and polymer‐coated) to maintain N in the soil profile throughout the growing season was determined by the analysis of [NH4+–N] and [NO3−–N] in three top‐soil depth increments at three dates in three seasons of no‐till maize (Zea mays L.). Surface‐applied EEFs, untreated urea, and injected urea ammonium nitrate (UAN) were compared at an application rate of 168 kg N ha−1. Within and across years, soil [NO3−–N] and [NH4+–N] typically decreased with depth and time since urea application. Among the EEFs, only a polymer‐coated urea produced greater [NO3−–N] and [NH4+–N] at several sampling dates and depths, and greater grain yields than untreated urea across the 3 yr. Nonetheless, the polymer‐coated urea resulted in significantly greater fertilizer use efficiency (FUE) than untreated urea in only 1 of 3 yr. Several EEFs increased grain yields compared to untreated urea each year, but FUE generally was similar to that with untreated urea. Environmental conditions influenced the effectiveness of EEFs in improving soil mineral N availability and increasing grain yield.
Agribusiness diversification and technological innovation efficiency: A U‐shaped relationship
Authors: Su Zhiwen , Zhang Mingyu , Sun Jianjun , Wu Wenbing 
Published: November 2022

AbstractIn recent years, agribusiness firms have increasingly diversified their product portfolio and expanded into new business areas through internal growth or acquisition, which can lead to the reallocation of innovation resources. This study examines the impact of agribusiness diversification (AD) on technological innovation efficiency (TIE) in China. Based on an 8‐year longitudinal dataset of 101 Chinese listed agribusiness firms from 2012 to 2019, this study applies the Tobit regression technique to reveal the underlying mechanism between AD and TIE. The empirical results show that: (1) the AD‐TIE relationship follows a U‐shaped pattern, that is, at low levels of AD, the AD‐TIE relationship is negative; at high levels of AD, the AD‐TIE relationship is positive. (2) government subsidies (GS) negatively moderate the U‐shaped relationship between AD and TIE, such that GS flattens the U‐shaped curve. Our findings have important implications for agribusiness managers and public policymakers. [EconLit citations: H25, L25, Q16].
Oxidative coupling of methane over strontium‐doped neodymium oxide: Parametric evaluations
Authors: Alahmadi Faisal , Bavykina Anastasiya , Poloneeva Daria , Ramirez Adrian , Schucker Robert , Gascon Jorge 
Published: November 2022

AbstractSince its discovery in 1982, oxidative coupling of methane (OCM) has been considered one of the most promising approaches for the on‐purpose synthesis of ethylene. The development of more selective catalysts is essential to improve process economics. In this work, undoped neodymium oxide as well as neodymium oxide doped with high (20%) and low (2.5%) levels of strontium were tested in a high‐throughput fashion covering a wide range of operating conditions. The catalysts were shown to be able to achieve greater than 18% C2+ yield. Space velocity was shown to play a significant role in C2+ selectivity. For a methane to oxygen feed ratio of 3.5, selectivity increased with increasing space velocity, reaching a maximum of 62% at a methane conversion of 30% at an optimal space velocity of ~250,000 ml/h/g. The difference in activity between the three samples was linked to the contribution of different oxygen centers.
Kontinuierliche Elektrochemische Synthese von Gold‐Nanopartikeln in Nanoliter‐Reaktoren
Authors: Saucedo‐Espinosa Mario Alberto , Breitfeld Maximilian , Dittrich Petra Stephanie 
Published: November 2022

AbstractGold‐Nanopartikel (AuNP) werden in zahlreichen Gebieten wie Optik, Biosensorik und Katalyse eingesetzt. In der vorliegenden Studie wird gezeigt, dass AuNP in kleinen Nanoliter‐Reaktoren elektrochemisch ohne Einsatz von Stabilisatoren hergestellt werden können. Dazu werden zuerst Wassertropfen, die den Gold(III)‐Präkursor enthalten, in einem mikrofluidischen System erzeugt und dann kontinuierlich durch ein Elektrodenpaar geleitet. Das in diesem Bereich angelegte elektrische Feld führt zur Bildung von AuNP. Dabei verhindern interne Ströme innerhalb der Tröpfchen, die während des Durchfließens durch die Mikrokanäle entstehen, die Aggregation der Nanopartikel nach der Nukleation. Auf dieser Weise können AuNP in einem Größenbereich von 30 bis 100 nm hergestellt werden, ohne dass weitere Additive notwendig sind. Die durchschnittliche Teilchengröße wird durch die Konzentration des Präkursors und der Flussgeschwindigkeit der Tröpfchen beeinflusst. Die Ladungsmenge, die durch die Stärke des elektrischen Feldes bestimmt wird, hat dagegen nur einen geringen Einfluss auf die resultierende Partikelgröße. Das Verfahren ermöglicht nicht nur eine gezielte Steuerung der resultierenden Partikelgröße, sondern könnte in Zukunft auch für die Herstellung anderer Metall‐Nanopartikel eingesetzt werden.
Electron‐Deficient Polycyclic Molecules via Ring Fusion for n‐Type Organic Electrochemical Transistors
Authors: Duan Jiayao , Zhu Genming , Lan Liuyuan , Chen Junxin , Zhu Xiuyuan , Chen Chaoyue , Yu Yaping , Liao Hailiang , Li Zhengke , McCulloch Iain , Yue Wan 
Published: November 2022

AbstractThe primary challenge for n‐type small‐molecule organic electrochemical transistors (OECTs) is to improve their electron mobilities and thus the key figure of merit μC*. Nevertheless, few reports in OECTs have specially proposed to address this issue. Herein, we report a 10‐ring‐fused polycyclic π‐system consisting of the core of naphthalene bis‐isatin dimer and the terminal moieties of rhodanine, which features intramolecular noncovalent interactions, high π‐delocalization and strong electron‐deficient characteristics. We find that this extended π‐conjugated system using the ring fusion strategy displays improved electron mobilities up to 0.043 cm2 V−1 s−1 compared to our previously reported small molecule gNR, and thereby leads to a remarkable μC* of 10.3 F cm−1 V−1 s−1 in n‐type OECTs, which is the highest value reported to date for small‐molecule OECTs. This work highlights the importance of π‐conjugation extension in polycyclic‐fused molecules for enhancing the performance of n‐type small‐molecule OECTs.
Interparticle Charge‐Transport‐Enhanced Electrochemiluminescence of Quantum‐Dot Aerogels
Authors: Gao Xuwen , Jiang Guocan , Gao Cunyuan , Prudnikau Anatol , Hübner René , Zhan Jinhua , Zou Guizheng , Eychmüller Alexander , Cai Bin 
Published: November 2022

AbstractElectrochemiluminescence (ECL) represents a widely explored technique to generate light, in which the emission intensity relies critically on the charge‐transfer reactions between electrogenerated radicals. Two types of charge‐transfer mechanisms have been postulated for ECL generation, but the manipulation and effective probing of these routes remain a fundamental challenge. Here, we demonstrate the design of quantum dot (QD) aerogels as novel ECL luminophores via a versatile water‐induced gelation strategy. The strong electronic coupling between adjacent QDs enables efficient charge transport within the aerogel network, leading to the generation of highly efficient ECL based on the selectively improved interparticle charge‐transfer route. This mechanism is further verified by designing CdSe‐CdTe mixed QD aerogels, where the two mechanistic routes are clearly decoupled for ECL generation. We anticipate our work will advance the fundamental understanding of ECL and prove useful for designing next‐generation QD‐based devices.
Charge‐Transfer Complex Doped Photothermal Hydrogels for Discriminating Circularly Polarized Near‐Infrared Light
Authors: Wang Zhuoer , Hao Aiyou , Xing Pengyao 
Published: November 2022

AbstractHydrogels behave as potential candidates to investigate circularly polarized light (CP)‐matter interaction, which however suffer from small sensitivity towards circular polarization. Here we report a general protocol to build hydrogels from π‐conjugated amino acids with coassembled charge‐transfer (CT) complexes, covering a wide scope of donors and acceptors, which were incorporated into stable hydrogel matrices. CT complexes formed block coassemblies with gelators, induced the emergence of macroscopic chiral helices, where efficient chirality transfer occurs to realize tunable Cotton effects from visible light to NIR‐I region depending on the structures of CT pairs. The hybrid hydrogels showed tunable photothermal performances with excellent heating‐cooling cycling durability. Circularly polarized NIR light selectively triggered gel‐solution phase transition at different timescales. Left‐ and right‐CP illumination generates up to 2.5 folds difference in gel collapse time that allows for direct discrimination by naked eyes.
Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices
Authors: Herres‐Pawlis Sonja , Bach Felix , Bruno Ian J. , Chalk Stuart J. , Jung Nicole , Liermann Johannes C. , McEwen Leah R. , Neumann Steffen , Steinbeck Christoph , Razum Matthias , Koepler Oliver 
Published: November 2022

AbstractResearch data management (RDM) is needed to assist experimental advances and data collection in the chemical sciences. Many funders require RDM because experiments are often paid for by taxpayers and the resulting data should be deposited sustainably for posterity. However, paper notebooks are still common in laboratories and research data is often stored in proprietary and/or dead‐end file formats without experimental context. Data must mature beyond a mere supplement to a research paper. Electronic lab notebooks (ELN) and laboratory information management systems (LIMS) allow researchers to manage data better and they simplify research and publication. Thus, an agreement is needed on minimum information standards for data handling to support structured approaches to data reporting. As digitalization becomes part of curricular teaching, future generations of digital native chemists will embrace RDM and ELN as an organic part of their research.
Tunable Strategy for the Asymmetric Synthesis of Sulfoglycolipids from Mycobacterium tuberculosis To Elucidate the Structure and Immunomodulatory Property Relationships
Authors: Mondal Soumik , Tseng Chieh‐Jen , Tan Janet Jia‐Yin , Lin Ding‐Yuan , Lin Hsien‐Ya , Weng Jui–Hsia , Lin Chun‐Hung , Mong Kwok‐Kong Tony 
Published: November 2022

AbstractWe developed a versatile asymmetric strategy to synthesize different classes of sulfoglycolipids (SGLs) from Mycobacterium tuberculosis. The strategy features the use of asymmetrically protected trehaloses, which were acquired from the glycosylation of TMS α‐glucosyl acceptors with benzylidene‐protected thioglucosyl donors. The positions of the protecting groups at the donors and acceptors can be fine‐tuned to obtain different protecting‐group patterns, which is crucial for regioselective acylation and sulfation. In addition, a chemoenzymatic strategy was established to prepare the polymethylated fatty acid building blocks. The strategy employs inexpensive lipase as a desymmetrization agent in the preparation of the starting substrate and readily available chiral oxazolidinone as a chirality‐controlling agent in the construction of the polymethylated fatty acids. A subsequent investigation on the immunomodulatory properties of each class of SGLs showed how the structures of SGLs impact the host innate immunity response.
Chiral Frustrated Lewis Pair@Metal‐Organic Framework as a New Platform for Heterogeneous Asymmetric Hydrogenation
Authors: Zhang Yin , Chen Songbo , Al‐Enizi Abdullah M. , Nafady Ayman , Tang Zhiyong , Ma Shengqian 
Published: November 2022

AbstractAsymmetric hydrogenation, a seminal strategy for the synthesis of chiral molecules, remains largely unmet in terms of activation by non‐metal sites of heterogeneous catalysts. Herein, as demonstrated by combined computational and experimental studies, we present a general strategy for integrating rationally designed molecular chiral frustrated Lewis pair (CFLP) with porous metal–organic framework (MOF) to construct the catalyst CFLP@MOF that can efficiently promote the asymmetric hydrogenation in a heterogeneous manner, which for the first time extends the concept of chiral frustrated Lewis pair from homogeneous system to heterogeneous catalysis. Significantly, the developed CFLP@MOF, inherits the merits of both homogeneous and heterogeneous catalysts, with high activity/enantio‐selectivity and excellent recyclability/regenerability. Our work not only advances CFLP@MOF as a new platform for heterogeneous asymmetric hydrogenation, but also opens a new avenue for the design and preparation of advanced catalysts for asymmetric catalysis.
Platinum‐Iron(II) Oxide Sites Directly Responsible for Preferential Carbon Monoxide Oxidation at Ambient Temperature: An Operando X‐ray Absorption Spectroscopy Study**
Authors: Sadykov Ilia I. , Sushkevich Vitaly L. , Krumeich Frank , Nuguid Rob Jeremiah G. , van Bokhoven Jeroen A. , Nachtegaal Maarten , Safonova Olga V. 
Published: November 2022

AbstractOperando X‐ray absorption spectroscopy identified that the concentration of Fe2+ species in the working state‐of‐the‐art Pt−FeOx catalysts quantitatively correlates to their preferential carbon monoxide oxidation steady‐state reaction rate at ambient temperature. Deactivation of such catalysts with time on stream originates from irreversible oxidation of active Fe2+ sites. The active Fe2+ species are presumably Fe+2O−2 clusters in contact with platinum nanoparticles; they coexist with spectator trivalent oxidic iron (Fe3+) and metallic iron (Fe0) partially alloyed with platinum. The concentration of active sites and, therefore, the catalyst activity strongly depends on the pretreatment conditions. Fe2+ is the resting state of the active sites in the preferential carbon monoxide oxidation cycle.
Synthesis and Studies of Di(p‐Benzi)Decaphyrin and Di(9,10‐Anthracenyl)Decaphyrin
Authors: Yadav Bharti , Rawat Nisha , Ravikanth Mangalampalli 
Published: November 2022

AbstractTwo novel macrocycles, di(p‐benzi)decaphyrin and di(9,10‐anthracenyl)decaphyrin have been synthesized by condensing appropriate p‐phenylene based pentapyrrane or 9,10‐anthracenyl based pentapyrrane with pentafluorobenzaldehyde under acid catalyzed conditions. The pentapyrrane precursors were synthesized over sequence of steps starting with commercially available 1,4‐dibromobenzene and 9,10‐dibromoanthracene. The decaphyrin macrocycles were freely soluble in common organic solvents and characterized and studied by HR‐MS, 1D and 2D NMR, absorption, cyclic voltammetry and computational techniques. The 1H NMR spectra of both decaphyrins were almost similar with very few resonances, indicating their symmetrical nature in solution and the position of chemical shifts of various protons supports nonaromatic nature of decaphyrins. The DFT optimized structures revealed that both decaphyrins showed a doubly twisted figure of eight conformation and the p‐phenylene rings in di(p‐benzi)decaphyrin and anthracenyl rings in di(9,10‐anthracenyl)decaphyrin did not participate in π‐delocalization with rest of the respective decaphyrin macrocycle. Both decaphyrins showed sharp intense band in the region of 400–500 nm and a broad band in the region of 600–900 nm. The absorption bands of di(p‐benzi)decaphyrin were significantly red shifted compared to di(9,10‐anthracenyl)decaphyrin. The protonated derivatives of decaphyrins generated by addition of TFA to the toluene solution of decaphyrins showed distinct changes in colour and absorption spectral bands. The redox studies indicated that both decaphyrins are electron rich and undergo easier oxidations. The electrochemical and computational studies revealed that HOMO‐LUMO energy gap was less in di(p‐benzi)decaphyrin compared to di(9,10‐anthracenyl)decaphyrin supporting the bathochromic shifts of absorption bands in di(p‐benzi)decaphyrin. TD‐DFT studies were in agreement with the experimental observations.
Influence of Proline Chirality on Neighbouring Azaproline Residue Stereodynamic Nitrogen Preorganization
Authors: Lal Jhajan , Prajapati Gurudayal , Meena Rachana , Kant Ruchir , Sankar Ampapathi Ravi , Reddy Damodara N. 
Published: November 2022

AbstractWe report herein the first systematic crystal structural investigation of azaproline incorporated in homo‐ and heterochiral diprolyl peptides. The X‐ray crystallography data of peptides 1–5 illustrates that stereodynamic nitrogen in azaproline adopted the stereochemistry of neighbouring proline residue without depending on its position in the peptide sequence. Natural bond orbital analysis of crystal structures indicates OazPro−C′Pro of peptides 4 and 5 participating in n→π* interaction with stabilization energy about 1.21–1.33 kcal/mol. Density functional theory calculations suggested that the endo‐proline ring puckering favoured over exo‐conformation by 6.72–7.64 kcal/mol. NBO and DFT data reveals that the n→π* interactions and proline ring puckering stabilize azaproline chirality with the neighbouring proline stereochemistry. The CD, solvent titration, variable‐temperature and 2D NMR experimental results further supported the crystal structures conformation.
Robust linear quadratic regulator applied to an inverted pendulum
Authors: Escalante Felix M. , Jutinico Andres L. , Terra Marco H. , Siqueira Adriano A. G. 
Published: November 2022

AbstractThe natural instability of an inverted pendulum and its dynamics richness, in terms of nonlinearity, provide a nice apparatus to reproduce behaviors of analogous systems. In this way, it is useful to perform benchmark tests for new control approaches developed. In this paper, we address the main inverted pendulum problems: pendulum stabilization, tracking, and catching swing‐up control. We show how robust recursive, control and filtering, techniques improve the system performance. They are developed to solve stochastic problems based on deterministic approaches, in order to decrease the worst influence of uncertainties. Experimental results of the proposed robust approach provide robust stability and performance despite parametric uncertainties, disturbances, and noise effects.
Neuroimaging for differential diagnosis of transient neurological attacks
Authors: Wang Ying , Zha Hao 
Published: November 2022

AbstractBackgroundRapid yet comprehensive neuroimaging protocols are required for patients with suspected acute stroke. However, stroke mimics can account for approximately one in five clinically diagnosed acute ischemic strokes and the rate of thrombolyzed mimics can be as high as 17%. Therefore, to accurately determine the diagnosis and differentiate mimics from true transient ischemic attacks, acute ischemic stroke is a challenge to every clinician.DiscussionMedical history and neurological examination, noncontract head computed tomography, and routine magnetic resonance imaging play important roles in the assessment and management of patients with transient neurological attacks in the emergency department. This review attempts to summarize how neuroimaging can be utilized to help differentiate the most common mimics from transient ischemic attack and acute ischemic stroke.ConclusionAlthough imaging can help direct critical triage decisions for intravenous thrombolysis or endovascular therapy, more detailed medical history and neurological examination are crucial for making a prompt and accurate diagnosis for transient neurological attack patients.