bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cross‐Wavelength Hierarchical Metamaterials Enabled for Trans‐Scale Molecules Detection Simultaneously
Authors: Wang Yingli , Dai Benhui , Ma Chan , Zhang Qi , Huang Kang , Luo Xuan , Liu Xiangjiang , Ying Yibin , Xie Lijuan 
Published: March 2022

AbstractMetamaterials have attracted increasing attention in sensing applications. However, the critical feature sizes of meta‐atom span several orders of magnitude in length scale, almost all the metamaterials are designed to operate at limited bands. It is challenging for a single type of meta‐atom with ultra‐broadband adaptability. Inspired by the natural hierarchical architectures, herein, the authors introduce a new constructing scheme of cross‐wavelength hierarchical metamaterials with a single type of meta‐atom that can realize enhancement of terahertz (THz) resonance and surface‐enhanced Raman scattering (SERS) at the same time. By combining multiple subwavelength structures at different hierarchical levels into a single meta‐atom, the obtained metamaterial can operate in two frequencies and realize multiple functionalities. Armed with this hierarchical metamaterial, detecting analytes as small as sub‐nanoscale chemical molecules or as big as microscale biomolecules simultaneously can be realized in one single metamaterial for the first time. As a proof‐of‐concept example, a smart sensory packaging is developed, which allowed them to real‐time monitor the kinetic growth of pathogenic bacteria and their metabolites in food without opening the packaging. They believe that their work will provide a valuable example that satisfies the unmet need for multiscale functional meta‐devices.
Payments from agricultural conservation programs and cover crop adoption
Authors: Park Byungyul , Rejesus Roderick M. , Aglasan Serkan , Che Yuyuan , Hagen Stephen C. , Salas William 
Published: March 2022

AbstractThis study explores how aggregate payments received from two different U.S. agricultural conservation programs—the Environmental Quality Incentives Program (EQIP) and the Conservation Stewardship Program (CSP)—influence county‐level cover crop adoption rates in the Corn Belt. We utilize 2006–2015 county‐level panel data with information on cover crop adoption rates and per acre conservation program payments to achieve the study objective. Cover crop adoption information is collected from a unique satellite‐based data set of soil health practices. Linear fixed effect models, fractional regression models, and a moment‐based instrumental variables model are used in the empirical analysis. Our estimation results suggest that EQIP payments have a statistically significant positive effect on cover crop adoption at the county level. In contrast, we find statistical evidence that CSP payments reduce the county‐level proportion of acres planted to cover crops. These opposing effects indicate that it is possible for conservation payment programs to have differing aggregate effects on adoption rates of specific conservation practices (e.g., cover crops in this case). Moreover, these results imply that not all conservation programs “are created equal” and differences in policy designs and focus areas may induce diverging effects in the uptake of particular conservation practices.
CFD–DEM simulations of wet particles fluidization with a new evolution model for liquid bridge
Authors: Hua Leina , Ocone Raffaella , Yang Ning 
Published: March 2022

AbstractA new model for liquid‐bridge evolution with consideration of particle dynamics, is proposed to improve Computational Fluid Dynamics‐Discrete Element Method (CFD–DEM) simulations of wet particles fluidization under high liquid loading and viscosity. A liquid bridge is allowed to form and remains stable only when the normal relative velocity of two particles is lower than a critical value vnc. A large vnc leads to an increase of liquid‐bridge or cohesive force. The model can be reduced to the conventional liquid‐bridge model in literature when vnc = 0 or ∞. With the new model, the prediction of bubble properties including bubble center, aspect ratio, and volume agrees well with the experimental data in literature. In particular, under high liquid loading, bubble disintegration due to particle agglomerating is reasonably captured. The simulations demonstrate the advantage of the new model that can extend the liquid‐bridge models and CFD–DEM for high liquid loading and viscosity.
What about the buccal surfaces? Dental microwear texture analysis of buccal and occlusal surfaces refines paleodietary reconstructions
Authors: Hernando Raquel , Willman John C , Souron Antoine , Cebrià Artur , Oms F. Xavier , Morales Juan I. , Lozano Marina 
Published: March 2022

AbstractObjectivesThis study analyzes and compares dental microwear textures on occlusal and buccal surfaces from the same tooth to determine if using these surfaces in tandem can provide complementary data for dietary reconstructions.Materials and methodsCova de la Guineu is a Late Neolithic‐Chalcolithic burial cave located in Font‐Rubí (Barcelona, Spain). The study sample consisted of 69 individuals represented by the lower left second molar. However, only 27 individuals had well‐preserved surfaces. Dental Microwear Texture Analysis was performed on both surfaces using a Sensofar® S Neox white‐light confocal profilometer following standard procedures. Toothfrax® software was used to quantify surface complexity and anisotropy.ResultsThe bootstrap resampling analysis shows significant differences in complexity and anisotropy between surfaces. There is no correlation between surfaces for complexity or anisotropy. The occlusal surfaces exhibit high complexities and low anisotropies, which are similar to values observed in Late Neolithic farming groups from Belgium.DiscussionThe combination of occlusal and buccal microwear signatures provided important inferences regarding the studied sample. First, occlusal complexity and anisotropy values indicate an abrasive dietary regime. Second, we propose that the higher anisotropy values found on buccal surfaces, compared to those on the occlusal ones, are attributed to the specific mechanisms of microwear formation for each surface. Finally, combining both surfaces may increase the number of samples suitable for analysis. Further studies, with greater intergroup sampling, will help to understand how buccal microwear reflects or complements DMTA signatures on the occlusal surfaces.
A Janus Separator for Inhibiting Shuttle Effect and Lithium Dendrite in Lithium−Sulfur Batteries
Authors: Xiao Ru , Yang Shan , Yu Tong , Hu Tianzhao , Zhang Xiaoyin , Xu Ruogu , Wang Yaozu , Guo Xiaodong , Sun Zhenhua , Li Feng 
Published: March 2022

AbstractInvited for this month's cover picture is the group of Feng Li and Zhenhua Sun. The cover picture shows a conceptualized lithium−sulfur battery assembled with a Janus separator based on La2Zr2O7−x nanotubes with surface oxygen vacancies, in which the shuttle behavior of polysulfide is blocked by adsorption and catalysis effects, and uniform lithium (Li) deposition is achieved by fast free Li+ transfer. Learn more about the story behind the research featured on the front cover in this issue's Cover Profile. Read the full text of the Research Article at 10.1002/batt.202100389.
Efficient production of acidic sophorolipid from rapeseed oil by Candida bombicola
Authors: Liu Haojie , He Aiyong , Li Shun , Xu Lijie , Xu Ning , Liu Shixun , Zhou Jie , Qian Xiujuan , Dong Weiliang , Jiang Min 
Published: March 2022

AbstractOwing to the high surface activity and good biological activity, sophorolipid (SL) has been considered as one of the most promising biosurfactants in recent years. Among all of the structures of SL, acid‐type SL has gained increasing attention and application in the areas of bioremediation and daily chemical industry owing to its excellent foamability and water solubility. However, few studies focused on acid‐type SL biological production have been reported. In this study, acid‐type SL production by the yeast Candida bombicola ATCC 22214 was comprehensively evaluated and optimized. Under the optimal medium composition and fermentation conditions, the yield of SL in the shake flask reached 68.8 g L−1, in which acid‐type SL accounted for 70%. With subsequent scale‐up to a 5 L bioreactor, the yield of SL using fed‐batch fermentation strategy reached 131.2 g L−1, and the acid‐type SL accounted for 84.7%. To the best of our knowledge, the yield of acid‐type SL in this study is the highest reported currently. In addition, the SL mixture (containing 84% acid‐type SL) produced by C. bombicola ATCC 22214 had better surface activity, emulsification properties and environmental stability than current commercial SL products. This study provided a promising microbial chassis and fermentation strategy for commercial production of acid‐type SL. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd
Hydra and the hair follicle – An unconventional comparative biology approach to exploring the human holobiont
Authors: Lousada Marta B. , Lachnit Tim , Edelkamp Janin , Paus Ralf , Bosch Thomas C. G. 
Published: March 2022

AbstractThe microbiome of human hair follicles (HFs) has emerged as an important player in different HF and skin pathologies, yet awaits in‐depth exploration. This raises questions regarding the tightly linked interactions between host environment, nutrient dependency of host‐associated microbes, microbial metabolism, microbe‐microbe interactions and host immunity. The use of simple model systems facilitates addressing generally important questions and testing overarching, therapeutically relevant principles that likely transcend obvious interspecies differences. Here, we evaluate the potential of the freshwater polyp Hydra, to dissect fundamental principles of microbiome regulation by the host, that is the human HF. In particular, we focus on therapeutically targetable host‐microbiome interactions, such as nutrient dependency, microbial interactions and host defence. Offering a new lens into the study of HF – microbiota interactions, we argue that general principles of how Hydra manages its microbiota can inform the development of novel, microbiome‐targeting therapeutic interventions in human skin disease.
An integrated approach to redesign inventory management strategies for achieving sustainable development of small and medium‐sized enterprises: Insights from an empirical study in India
Authors: Narkhede Ganesh , Rajhans Neela 
Published: March 2022

AbstractEfforts to incorporate inventory management (IM) strategies in small and medium‐sized enterprises (SMEs) are very limited due to the lack of cost‐effective and easy‐to‐use techniques. This research article suggests an effective and proven IM strategy that can improve the productivity and competitiveness of SMEs. The purpose of this research article is twofold: first, to develop an integrated IM strategy for SMEs to reduce inventory carrying costs; second, to design individual replenishment policies for each product. This article discusses an integrated approach considering rank order clustering (ROC) technique, a forward version of the Wagner–Whitin (W–W) lot‐sizing algorithm, and quantity discounts. First ROC is used to form clusters of different assemblies consisting of common components for aggregating the demand. The W–W algorithm is tested next over 1 year of time horizon followed by quantity discounts. Insights derived from a case study proved that the proposed integrated IM approach could save a substantial amount of total cost compared to the existing purchase policy. In addition, this approach can be a promising approach to determine appropriate replenishment quantities for each planning period. In addition, stock‐out situations can be minimized. The novelty of this study is that it proposes a practical, simple‐to‐implement, and proven IM technique for increasing productivity and achieving sustainable development of SMEs, which are working in growing economies like India.
COVID‐19 outcomes in patients with cancer: Findings from the University of California health system database
Authors: Kwon Daniel H. , Cadena Jose , Nguyen Sam , Chan Kwan Ho Ryan , Soper Braden , Gryshuk Amy L. , Hong Julian C. , Ray Priyadip , Huang Franklin W. 
Published: March 2022

AbstractBackgroundThe interaction between cancer diagnoses and COVID‐19 infection and outcomes is unclear. We leveraged a state‐wide, multi‐institutional database to assess cancer‐related risk factors for poor COVID‐19 outcomes.MethodsWe conducted a retrospective cohort study using the University of California Health COVID Research Dataset, which includes electronic health data of patients tested for severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) at 17 California medical centers. We identified adults tested for SARS‐CoV‐2 from 2/1/2020–12/31/2020 and selected a cohort of patients with cancer. We obtained demographic, clinical, cancer type, and antineoplastic therapy data. The primary outcome was hospitalization within 30d after the first positive SARS‐CoV‐2 test. Secondary outcomes were SARS‐CoV‐2 positivity and severe COVID‐19 (intensive care, mechanical ventilation, or death within 30d after the first positive test). We used multivariable logistic regression to identify cancer‐related factors associated with outcomes.ResultsWe identified 409,462 patients undergoing SARS‐CoV‐2 testing. Of 49,918 patients with cancer, 1781 (3.6%) tested positive. Patients with cancer were less likely to test positive (RR 0.70, 95% CI: 0.67–0.74, p < 0.001). Among the 1781 SARS‐CoV‐2‐positive patients with cancer, BCR/ABL‐negative myeloproliferative neoplasms (RR 2.15, 95% CI: 1.25–3.41, p = 0.007), venetoclax (RR 2.96, 95% CI: 1.14–5.66, p = 0.028), and methotrexate (RR 2.72, 95% CI: 1.10–5.19, p = 0.032) were associated with greater hospitalization risk. Cancer and therapy types were not associated with severe COVID‐19.ConclusionsIn this large, diverse cohort, cancer was associated with a decreased risk of SARS‐CoV‐2 positivity. Patients with BCR/ABL‐negative myeloproliferative neoplasm or receiving methotrexate or venetoclax may be at increased risk of hospitalization following SARS‐CoV‐2 infection. Mechanistic and comparative studies are needed to validate findings.
Detailed Chemical Characterization and Biological Propensities of Malabaila lasiocarpa Extracts: An Endemic Plant to Turkey
Authors: Zengin Gokhan , Zheleva‐Dimitrova Dimitrina , Babacan Ebru Yüce , Polat Rıdvan , Çakılcıoğlu Uğur , Sadeer Nabeelah Bibi , Costa Emmanoel V. , Mahomoodally Mohamad Fawzi , Naviglio Daniele , Gallo Monica , Montesano Domenico , Lorenzo José M. , Gevrenova Reneta 
Published: March 2022

AbstractThis study focused on the biological evaluation and chemical characterization of Malabaila lasiocarpa Boiss. (M. lasiocarpa) (Family: Apiaceae). The phytochemical profile, antioxidant, enzyme inhibitory of the methanolic, aqueous, dichloromethane, hexane extracts were investigated. Based on UHPLC‐HRMS analyses, a total of 101 peaks were annotated or identified for the first time in M. lasiocarpa extracts. They include hydroxybenzoic, hydroxycinnamic, acylquinic acids and their glycosides, C‐ and O‐glycosyl and O‐diglycosyl flavonoids. In addition, 10 simple mono‐ and disubstituted coumarins together with 10 furanocoumarins were tentatively annotated. The methanolic extract possessing the highest phenolic (24.36±0.60 mg gallic acid equivalent/g extract) and flavonoid (69.15±0.37 mg rutin equivalent/g extract) content also exhibited the strongest radical scavenging potential against 2,2‐diphenyl‐1 picrylhydrazyl (21.73±0.42 mg Trolox equivalent/g extract, respectively), and highest reducing capacity (57.81±0.97 and 28.00±0.40 mg Trolox equivalent/g extract, for cupric reducing antioxidant capacity and ferric reducing antioxidant power, respectively). The dichloromethane extract substantially depressed the tyrosinase (73.92±5.37 mg kojic acid equivalent/g extract), α‐amylase (0.63±0.01 mmol acarbose equivalent/g extract) and α‐glucosidase (0.69±0.02 mmol acarbose equivalent/g extract) enzymes. This study has produced critical scientific data on M. lasiocarpa which are potential contenders for the development of novel phyto‐pharmaceuticals.
Structure‐Guided Modulation of the Catalytic Properties of [2Fe−2S]‐Dependent Dehydratases
Authors: Melse Okke , Sutiono Samuel , Haslbeck Magdalena , Schenk Gerhard , Antes Iris , Sieber Volker 
Published: March 2022

AbstractThe FeS cluster‐dependent dihydroxyacid dehydratases (DHADs) and sugar acid‐specific dehydratases (DHTs) from the ilvD/EDD superfamily are key enzymes in the bioproduction of a wide variety of chemicals. We analyzed [2Fe−2S]‐dependent dehydratases in silico and in vitro, deduced functionally relevant sequence, structure, and activity relationships within the ilvD/EDD superfamily, and we propose a new classification based on their evolutionary relationships and substrate profiles. In silico simulations and analyses identified several key positions for specificity, which were experimentally investigated with site‐directed and saturation mutagenesis. We thus increased the promiscuity of DHAD from Fontimonas thermophila (FtDHAD), showing >10‐fold improved activity toward D‐gluconate, and shifted the substrate preference of DHT from Paralcaligenes ureilyticus (PuDHT) toward shorter sugar acids (recording a six‐fold improved activity toward the non‐natural substrate D‐glycerate). The successful elucidation of the role of important active site residues of the ilvD/EDD superfamily will further guide developments of this important biocatalyst for industrial applications.
A Well‐Defined Calcium Compound Catalyzes Trimerization of Arylisocyanates into 1,3,5‐Triarylisocyanurates
Authors: Kumar Rohit , Sharma Vishal , Jain Shailja , Sharma Himanshu , Vanka Kumar , Sen Sakya S. 
Published: March 2022

AbstractWe report the synthesis of a calcium complex (2) bearing a tetradentate monoanionic ligand with a diaminoethane core and phenolate and pyridine peripheral donors. Single crystal X‐ray studies on 2 revealed that LiI was also co‐crystallized, leading to a four‐membered ring with four different elements. 2 was found to be an efficient catalyst for the cyclotrimerization of a variety of aromatic isocyanates under mild conditions.
A Combined Spectroscopic and Theoretical Study on a Ruthenium Complex Featuring a π‐Extended dppz Ligand for Light‐Driven Accumulation of Multiple Reducing Equivalents
Authors: Müller Carolin , Schwab Alexander , Randell Nicholas M. , Kupfer Stephan , Dietzek‐Ivanšić Benjamin , Chavarot‐Kerlidou Murielle 
Published: March 2022

AbstractThe design of photoactive systems capable of storing and relaying multiple electrons is highly demanded in the field of artificial photosynthesis, where transformations of interest rely on multielectronic redox processes. The photophysical properties of the ruthenium photosensitizer [(bpy)2Ru(oxim‐dppqp)]2+ (Ru), storing two electrons coupled to two protons on the π‐extended oxim‐dppqp ligand under light‐driven conditions, are investigated by means of excitation wavelength‐dependent resonance Raman and transient absorption spectroscopies, in combination with time‐dependent density functional theory; the results are discussed in comparison to the parent [(bpy)2Ru(dppz)]2+ and [(bpy)2Ru(oxo‐dppqp)]2+ complexes. In addition, this study provides in‐depth insights on the impact of protonation or of accumulation of multiple reducing equivalents on the reactive excited states.
Perovskite Photovoltaics for Artificial Light Harvesting
Authors: Opoku Henry , Hyeon Lee Ji , Won Shim Jae , Woong Jo Jea 
Published: March 2022

AbstractPerovskites have encountered a growing interest as light‐absorbing materials for harvesting and recycling ambient light. This interest comes from the distinct and impressive intrinsic properties of these materials and is necessitated by the need for reliable and sustainable power supplies for wearable and portable internet of things (IoT) applications. Perovskite artificial light cells (PALCs; i. e., indoor perovskite photovoltaics) have been intensively explored, and thus their device performance has been rapidly augmented. In this review, we summarize and consolidate the research outputs of PALCs by focusing on the tuning of photo‐absorber and interlayer materials for efficient harvest and collection of artificial light sources. We also emphasize various challenges and possible future research directions that should be addressed for realizing a large market uptake of PALCs.
The Non‐Ancillary Nature of Trimethylsilylamide Substituents in Boranes and Borinium Cations
Authors: Major Christopher J. , Qu Zheng‐Wang , Grimme Stefan , Stephan Douglas W. 
Published: March 2022

AbstractThe known boranes (R(Me3Si)N)2BF (R=Me3Si 1, tBu 2, C6F5 3, o‐tol 4, Mes 5, Dipp 6) and borinium salts (R(Me3Si)N)2B][B(C6F5)4] (R=Me3Si 7, tBu 8) are prepared and fully characterized. Compound 7 is shown to react with phosphines to generate [R3PSiMe3]+ and [R3PH]+ (R=Me, tBu). Efforts to generate related borinium cations via fluoride abstraction from (R(Me3Si)N)2BF (R=C6F5 3, o‐tol 4, Mes 5) gave complex mixtures suggesting multiple reaction pathways. However for R=Dipp 6, the species [(μ‐F)(SiMe2N(Dipp))2BMe][B(C6F5)4] was isolated as the major product, indicating methyl abstraction from silicon and F/Me exchange on boron. These observations together with state‐of‐the‐art DFT mechanistic studies reveal that the trimethylsilyl‐substituents do not behave as ancillary subsitutents but rather act as sources of proton, SiMe3 and methyl groups.
Electrochemical Performance and Behavior Mechanism for Zn/LiFePO4 Battery in a Slightly Acidic Aqueous Electrolyte
Authors: Liu Xinxin , Xiong Weixiong , Zheng Jiawei , Wu Jinmei , Huang Bin , Zhu Qing , Li Yanwei , Xiao Shunhua , Chen Quanqi , Yang Jianwen , Yang Zhaoling 
Published: March 2022

AbstractThe electrochemical performances and process mechanisms of Zn/LiFePO4 cells in a slightly acidic 1.9 m Li2SO4–0.5 m ZnSO4 aqueous solution were investigated. The results showed that the hydrogen depletion side reaction on the surface of the zinc sheet led to an increase in pH of the electrolyte and fluctuations in specific capacity of the cells, and that the dissolution of Fe2+ ions and the lamination of LiFePO4 particles resulted in a decrease in the specific capacity of the cells. At pH 5.0, the initial discharge specific capacity of the Zn/LiFePO4 cell was about 120.0 mAh g−1 at 0.25 C, about 64.4 mAh g−1 at 3 C, with about 60.9 % capacity retention rate after 200 cycles at 1 C, and the Li+ ions diffusion coefficient was about 7.75×10−12 cm2 s−1.
Iridium‐Catalyzed Dehydrogenation in a Continuous Flow Reactor for Practical On‐Board Hydrogen Generation From Liquid Organic Hydrogen Carriers
Authors: Polukeev Alexey V. , Wallenberg Reine , Uhlig Jens , Hulteberg Christian P. , Wendt Ola F. 
Published: March 2022

AbstractTo enable the large‐scale use of hydrogen fuel cells for mobility applications, convenient methods for on‐board hydrogen storage and release are required. A promising approach is liquid organic hydrogen carriers (LOHCs), since these are safe, available on a large scale, and compatible with existing refueling infrastructure. Usually, LOHC dehydrogenation is carried out in batch‐type reactors by transition metals and their complexes and suffers from slow H2 release kinetics and/or inability to reach high energy density by weight, owing to low conversion or the need to dilute the reaction mixture. In this study, a continuous flow reactor is used in combination with a heterogenized iridium pincer complex, which enables a tremendous increase in LOHC dehydrogenation rates. Thus, dehydrogenation of isopropanol is performed in a regime that, in terms of gravimetric energy density, hydrogen generation rate, and precious metal content, is potentially compatible with applications in a fuel‐cell powered car.