bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modulating CoFeOXNanosheets Towards Enhanced CO2Photoreduction to Syngas: Effect of Calcination Temperature and Mixed‐Valence Multi‐Metals
Authors: Pan Bao , Zhou Linxing , Qin Jiani , Liao Miao , Wang Chuanyi 
Published: September 2022

AbstractCoFeOXnanosheets were synthesized by a facile coprecipitation and calcination method. The effect of calcination temperature on the crystal texture, morphology and surface areas of CoFeOXwere fully explored. CoFeOXsample calcined at 600 °C (CoFeOX‐600) showed superior catalytic performance for the reduction of CO2under visible light. Compared with the pure Ru(bpy)32+‐sensitized CO2reduction system, the CoFeOX‐added system achieved 19‐fold enhancement of CO production (45.7 μmol/h). The mixed valence state and nanosheet‐like structure of CoFeOXcocatalyst support its ultra‐high charge transfer and abundant CO2active adsorption sites exposure, which promote the separation of photogenerated charges, and thus improve the photocatalytic CO2reduction activity. Carbon source of CO from CO2was verified by13CO2isotopic labelling experiment. Repeated activity experiments confirmed the good stability of CoFeOXin the CO2photoreduction system. This work would provide prospective insights into developing novel cost‐effective, efficient, and durable non‐precious metal cocatalysts to improve the efficiency of photocatalytic reduction of CO2.
Systematic Modulation of Thiol Functionalities in Inexpensive Porous Polymers for Effective Mercury Removal
Authors: Wongwilawan Sirinapa , Kim Doyun , Nguyen Thien S. , Lim Wonki , Li Sheng , Yavuz Cafer T. 
Published: September 2022

AbstractThrough accumulation, mercury contamination in aquatic systems still poses serious health risks despite the strict regulations on drinking water and industrial discharge. One effective strategy against this is adsorptive removal, in which a suitably functionalized porous material is added to water treatment protocols. Thiol (SH) group‐grafted structures perform commendably; however, insufficient attention is paid to the cost, scalability, and reusability or how the arrangement of sulfur atoms could affect the HgII binding strength. We used an inexpensive and scalable porous covalent organic polymer (COP‐130) to systematically introduce thiol functional groups with precise chain lengths and sulfur content. Thiol‐functionalized COP‐130 demonstrates enhanced wettability and excellent HgII uptake of up to 936 mg g−1, with fast kinetics and exceptionally high selectivity. These Hg adsorbents are easily regenerated with HCl and can be used at least six times without loss of capacity even after treatment with strong acid, a rare performance in the domain of Hg‐removal research.
Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions
Authors: Podgorski Matthew N. , Coleman Tom , Churchman Luke R. , Bruning John B. , De Voss James J. , Bell Stephen G. 
Published: September 2022

AbstractCytochrome P450 (CYP) heme‐thiolate monooxygenases catalyze the hydroxylation of the C−H bonds of organic molecules. This reaction is initiated by a ferryl‐oxo heme radical cation (Cpd I). These enzymes can also catalyze sulfoxidation reactions and the ferric‐hydroperoxy complex (Cpd 0) and the Fe(III)‐H2O2 complex have been proposed as alternative oxidants for this transformation. To investigate this, the oxidation of 4‐alkylthiobenzoic acids and 4‐methoxybenzoic acid by the CYP199A4 enzyme from Rhodopseudomonas palustris HaA2 was compared using both monooxygenase and peroxygenase pathways. By examining mutants at the mechanistically important, conserved acid alcohol‐pair (D251N, T252A and T252E) the relative amounts of the reactive intermediates that would form in these reactions were disturbed. Substrate binding and X‐ray crystal structures helped to understand changes in the activity and enabled an attempt to evaluate whether multiple oxidants can participate in these reactions. In peroxygenase reactions the T252E mutant had higher activity towards sulfoxidation than O‐demethylation but in the monooxygenase reactions with the WT enzyme the activity of both reactions was similar. The peroxygenase activity of the T252A mutant was greater for sulfoxidation reactions than the WT enzyme, which is the reverse of the activity changes observed for O‐demethylation. The monooxygenase activity and coupling efficiency of sulfoxidation and oxidative demethylation were reduced by similar degrees with the T252A mutant. These observations infer that while Cpd I is required for O‐dealkylation, another oxidant may contribute to sulfoxidation. Based on the activity of the CYP199A4 mutants it is proposed that this is the Fe(III)‐H2O2 complex which would be more abundant in the peroxide‐driven reactions.
Synthetic Studies towards the Calcium‐Dependent Lipopeptide Antibiotic Cadaside B
Authors: Kovalenko Nadiia , Swain Jonathan A. , Howard Georgina K. , Hermant Yann O. , Cameron Alan J. , Stubbing Louise A. , Harris Paul W. R. , Brimble Margaret A. 
Published: September 2022

AbstractIn the current global crisis of antimicrobial resistance, antimicrobial peptides represent a promising source of alternative antibiotics. Recently discovered cadaside B, a novel calcium‐dependent antibiotic, exhibits potent antimicrobial activity towards Gram‐positive pathogens including multi‐drug resistant strains. These properties, coupled with a novel structure, non‐cytotoxicity, and low likelihood of developing resistance render cadaside B an important synthetic target. Herein, a synthetic strategy towards cadaside B is reported with the key steps involving on‐resin depsipeptide bond formation and solution‐phase macrolactamization. Good agreement of the synthetic cadaside B MS/MS fragmentation pattern was observed with the natural product, but a different 1H NMR spectrum and absence of antimicrobial activity suggest an undetected epimerization event took place during the synthesis. Herein the findings of our synthetic journey and suggestions for future directions are presented.
An Endoplasmic Reticulum Targeting Type I Photosensitizer for Effective Photodynamic Therapy against Hypoxic Tumor Cells
Authors: Li Shumeng , Chen Yuncong , Wu Yanping , Yao Shankun , Yuan Hao , Tan Yehong , Qi Fen , He Weijiang , Guo Zijian 
Published: September 2022

AbstractOrganelle‐targeted type I photodynamic therapy (PDT) shows great potential to overcome the hypoxic microenvironment in solid tumors. The endoplasmic reticulum (ER) is an indispensable organelle in cells with important biological functions. When the ER is damaged due to the production of reactive oxygen species (ROS), the accumulation of misfolded proteins will interfere with ER homeostasis, resulting in ER stress. Here, an ER‐targeted benzophenothiazine‐based photosensitizer NBS‐ER was presented. ER targeting modification significantly reduced the dark toxicity and improved phototoxicity index (PI). NBS‐ER could effectively produce O2−⋅ with near‐infrared irradiation, making its phototoxicity under hypoxia close to that under normoxia. Meanwhile, the photoinduced ROS triggered ER stress and induced apoptosis. In addition, NBS‐ER possessed excellent photodynamic therapeutic effect in 4T1‐tumor‐bearing mice.
On the effects of the flow macro‐scale over sub‐grid modelling in dense gas–solid fluidized flows
Authors: Niaki Seyed R. A. , Mouallem Joseph , Chavez‐Cussy Norman , Milioli Christian C. , Milioli Fernando E. 
Published: September 2022

AbstractMultiscale modelling of gas–particle fluidized flows is frequently approached by means of sub‐grid modelling, which provides constitutive closures for filtered formulations applied to large scale simulations. A widely practiced procedure for the derivation of sub‐grid models consists of filtering over predictions from highly resolved simulations under two‐fluid modelling. The present work is intended as a contribution in this field by providing new supporting evidence for the enhancement of sub‐grid closure models. Most of the efforts in the area have been directed to providing sub‐grid models dependent on meso‐scale filtered effects alone, and under low gas Reynolds number suspension conditions. In this work, macro‐scale conditions are added to the analysis thereby accounting for flow topology, particularly for dense gas–solid fluidized flows. Two macro‐scale variables are considered in the simulations, namely the domain average solid volume fraction and the domain average gas Reynolds number. So, in addition to the usual meso‐scale filtered markers, relevant filtered parameters are also related to those macro‐scale conditions. The filtered parameters of interest here are the effective interphase drag coefficient and filtered and residual stresses in both of the phases. Various domain average solid volume fractions and domain average gas Reynolds numbers were enforced, thereby providing for a variety of macro‐scale dense conditions. It was found that both these macro‐scale parameters considerably affect the meso‐scale and the resulting filtered parameters of dense gas–solid flows, even though this occurs in a milder way when compared to results for dilute flow conditions available in the literature.
Model reduction of coagulation cascade based on genetic algorithm
Authors: Wang Yan , Luan Jingyang , Luo Kun , Fan Jianren , Zhu Ting 
Published: September 2022

AbstractFibrin is an important product of the coagulation cascade, and plays an eminent role in platelet stabilization. Since coagulation cascade models typically involve the reaction kinetics of dozens of proteins, which will incur burdensome computational costs when coupled to blood flow in complex geometries, researchers often ignore this process when constructing thrombosis models. However, previous studies have shown that fundamental aspects of coagulation can be reproduced with simpler models, which motivated us to obtain a reduced‐order model of fibrin generation through a systematic approach. Therefore, we introduced a semi‐automatic framework to perform model‐reduction of cascade reactions in this study, which consisted of two processes. Specifically, the retained protein species and cascade reactions were determined based on published studies and simulation results from the full cascade model, while the optimal reaction rates for the new cascade network were determined using a genetic algorithm. The framework has been applied to a 19‐species coagulation model that triggers fibrin generation in internal fields via reactive boundaries, and a 10‐species reduced‐order model was obtained to reproduce the kinetics of fibrinogenesis in the full cascade model at different boundary tissue factor concentrations. This reduced‐order model of fibrinogenesis would be valuable for thrombosis modeling that considers both the coagulation cascade and platelet activity. Furthermore, the framework proposed herein can also be applied to the reductions of other cascade reaction models.
Mobility Management UAV‐based Grouping routing protocol in flying ad hoc networks for biomedical applications
Authors: Ananthi J. Vijitha , Jose P. Subha Hency 
Published: September 2022

SummaryWireless body area networks play a vital role in the medical field by saving human lives. It senses the human body condition and transmits it to the respective doctors. The faster the communication, the sensed data can be transmitted faster and the patients in emergency can be treated on time. Therefore, to increase the speed of communication, Unmanned Aerial Vehicles (UAV) are used in biomedical applications. In this flying ad hoc network, there is a possibility of link failure due to the high mobility of UAV. To overcome this issue, a new routing protocol, Mobility Management UAV‐based Grouping (MMUG), for biomedical data transmission from one ground station to another via UAV is suggested in this research. The UAV creates the grouping system based on the coverage range of the group head. Group head selects the node that lies closer to the ground station. Group head continuously monitors the mobility of the unmanned aerial vehicles that lie in the coverage range and thus helps to maintain the link stability. The mobility issue will be overcome by using this proposed scheme, and it manages the mobility. The mobility management helps to increase the network performance by increasing the delivery rate and throughput and reducing the drop rate and overhead. Simulation results show that this routing protocol achieves 86% delivery rate and 1.95 Mbps throughput and reduces the drop rate by 14%, control overhead by 23%, and routing overhead by 20%. Moreover, this model achieves higher network performance compared to the existing techniques.
Optimization for faster‐than‐Nyquist signaling based combining under multi‐path channel
Authors: Wang Jui Teng 
Published: September 2022

SummaryWe propose a faster‐than‐Nyquist (FTN) signaling based combining scheme to increase the achievable rate for the single‐input‐single‐output (SISO) system and the single‐carrier system under the multi‐path channel, where the combining scheme aims to combine the signals received at all symbol periods during the channel length for each transmitted symbol. An important feature of the FTN signaling based combining scheme is that the transmitter ceases the transmission for b symbol periods after transmitting each symbol. By proposing the optimization algorithm for finding the optimum b that maximizes the achievable (information) rate, we propose in this paper the optimal FTN signaling based combining scheme. We first establish the optimization problem and then present a theorem for proving the existence of the optimum b that maximizes the lower bound of the average achievable (information) rate. On the basis of this theorem, we present the steps of the proposed optimization algorithm. Numerical results are provided, and they confirm that the proposed optimization algorithm can find the optimum b.
Nutritional and sensory properties of low‐fat milk dessert enriched with quinoa (Chenopodium quinoa Willd) Titicaca protein isolate
Authors: Sekhavatizadeh Seyed Saeed , Karimi Abdolhamid , Hosseinzadeh Saeid , Shaviklo Amir Reza , Abedi Mohsen , Mahmoodianfard Hamidreza , Ghaedmohammadi Mohsen 
Published: September 2022

AbstractThe purpose of this work was to investigate the potential production of Titicaca quinoa protein isolated (TQPI) to improve the quality of low‐fat desserts. In this study, low‐fat desserts incorporating TQPI (0, 1%, 3%, and 5%) were produced. The results indicated that as TQPI increased, protein content, acidity, b*, hardness, and water‐holding capacity (WHC) increased. Dessert containing 5% TQPI exhibited the highest values of hardness (63.23 ± 1.46 g), adhesiveness (0.88 ± 0.19), gumminess (67.30 ± 1.41 g), chewiness (11.41 ± 0.46 mJ), protein content (18.09%), b*(20.75), WHC (50.65%), and acidity (25.9 °D) on the 21st day of the storage time. TQPI (1%) gave a better effect on taste, texture, and total acceptability in comparison with other fortified desserts. Electron microscopy shows that the fortified dessert containing 5% TQPI had a stronger network than the others. It can be concluded that desserts containing 1% TQPI presented a very good response as a potential new dairy product based on sensory properties.
Better ways to test for herding
Authors: Wang Junkai , Hudson Robert 
Published: September 2022

AbstractIn this article, we outline problems with the standard test for herding developed by Chang, Cheng and Kohrana (2000), subsequently called the CCK test, which is based on the proposition that the cross‐sectional absolute deviation of stock returns (CSAD) should be linearly related to overall market returns. We show that the test is highly biased against finding herding. The bias arises because the test assumes that, in the absence of herding, stock prices follow the Capital Asset Pricing Model (CAPM) but does not account for the implications of the CAPM not being a perfect asset pricing model. We suggest several simple alternative tests for herding. Finally, we show that the new tests give radically different results to the CCK test finding herding in many of the world's major financial markets when the CCK test rejects herding.
How official TV news affect public inflation expectations? Evidence from the Chinese national broadcaster China Central Television
Authors: Xu Yingying , Liu Zhixin , Chen Jingjing , Salem Sultan 
Published: September 2022

AbstractA burgeoning literature supports the effect of media coverage on public inflation expectations but ignores televised reports, particularly official TV news. Using bootstrap Granger non‐causality tests, this study demonstrates time‐varying causalities from the Chinese national broadcaster China Central Television (CCTV) reports to households' inflation expectations during 2014Q1–2015Q4 and 2017Q1–2018Q4 with positive effects. This indicates that official TV news leads inflation expectations. Furthermore, positive causalities from CCTV reports to the expectation heterogeneity also exist, thus meaning that more official reports may exacerbate the disagreement among households' expectations, thereby contributing to the macroeconomic instability. The content conflict is a possible reason for the positive effect of CCTV reports on the inflation expectation disagreement of households.
Palmatine ameliorates LPS‐induced HT‐22 cells and mouse models of depression by regulating apoptosis and oxidative stress
Authors: Pei Hongyan , Zeng Jianning , He Zhongmei , Zong Ying , Zhao Yan , Li Jianming , Chen Weijia , Du Rui 
Published: September 2022

AbstractDepression is one of the most common neuropsychiatric disorders that is characterized by low mood, lack of motivation, slow thinking, and recurrent suicidal thoughts. The mechanism of action of palmatine in depression has been rarely reported and remains unclear. The present study examined the neuroprotective effects of palmatine on lipopolysaccharide (LPS)‐induced oxidative stress, apoptosis, and depression‐like behavior. In this study, cell apoptosis was evaluated by CCK‐8, flow cytometry, and Hoechst 33258 staining in LPS‐induced HT‐22 cells. Meanwhile, reactive oxygen species (ROS) and mitochondrial membrane potential were detected in vitro. In vivo, we investigated depressive‐like behaviors in mice by an open field test (OFT) and elevated plus‐maze test (EPM). Additionally, the levels of superoxide dismutases (SOD), TNF‐α, IL‐1β, and IL‐6 were detected by enzyme‐linked immunosorbent assay. The hematoxylin‐eosin staining and TUNEL staining were used to evaluate the pathology of the hippocampus. The expression of Nrf2/HO‐1 and BAX/Bcl‐2 pathways in the hippocampus were assessed by Western blot analysis. Palmatine could significantly reduce apoptosis and ROS levels, and improve mitochondrial damage. Moreover, palmatine significantly improves movement time and central square crossing time in OFT, and improves open arms and movement time in EMP. And the levels of SOD, TNF‐α, IL‐1β, and IL‐6 were significantly decreased after palmatine treatment. More importantly, palmatine improved neuronal apoptosis in the hippocampus, and depression through BAX/Bcl‐2 and Nrf2/HO‐1 signaling pathways. We provide evidence that palmatine further alleviates the depressive‐like behavior of LPS‐induced by improving apoptosis and oxidative stress.
Integrative bioinformatic analysis identified IFIT3 as a novel regulatory factor in psoriasis
Authors: Li Xizhe , Zhou Wolong , Wang Dan 
Published: September 2022

AbstractPsoriasis is an autoimmune skin disease with poor prognosis. Currently, there is no cure for psoriasis and the pathogenic mechanism of psoriasis remains unclear. Our study aims to explore key regulators underlying psoriasis and potential targets for psoriasis treatment. RNA‐seq data of psoriasis and normal tissues were extracted from Gene Expression Omnibus database to screen differentially expressed genes (DEGs). Weighted correlation network analysis (WGCNA) was conducted to identify key gene modules correlated with psoriasis. Enrichment analysis was used to characterize identified genes. The expression of identified genes was verified in a data set with various types of psoriasis lesion tissues and six psoriasis and healthy control tissues by quantitative polymerase chain reaction and immunohistochemistry assays. And the biological functions of IFIT3 in keratinocytes were determined by colony formation assays, Cell Counting Kit‐8, and enzyme‐linked immunosorbent assays. A total of 594 overlapped genes (370 upregulated and 224 downregulated) were selected as DEGs between psoriasis and normal tissues in three independent data sets. These genes were enriched in interferon‐related pathway and cytokine‐related pathway. Weighted correlation network analysis identified several gene modules that were associated with psoriasis. Overlapped genes between gene modules and DEGs were associated with interferon‐related pathway and T cell activities. Among these genes, OAS1, USP18, and IFIT3 had higher expression levels in psoriasis vulgaris (PV) and nonpustular palmoplantar psoriasis (NPPP) tissues but not Palmoplantar Pustular Psoriasis (PPPP). Meanwhile, these results were confirmed in our independent psoriasis tissue cohort. And results of in vitro experiments showed that inhibition of IFIT3 significantly impaired the proliferation capacity and CXCL1, CCL20, IL‐1β, and IL‐6 secretion of keratinocytes. Our study identified key genes and pathways underlying the pathogenesis of psoriasis through the conduct of integrated analysis. OAS1, USP18, and IFIT3 could be potential targets for the treatment of psoriasis. IFIT3 can promote the proliferation and immune activation of keratinocytes and facilitates the development of psoriasis.
Stability and bonding of carbon(0)‐iron−N2 complexes relevant to nitrogenase co‐factor: EDA‐NOCV analyses
Authors: Gorantla Sai Manoj N. V. T. , Karnamkkott Harsha S. , Arumugam Selvakumar , Mondal Sangita , Mondal Kartik Chandra 
Published: September 2022

AbstractThe factors/structural features which are responsible for the binding, activation and reduction of N2 to NH3 by FeMoco of nitrogenase have not been completely understood well. Several relevant model complexes by Holland et al. and Peters et al. have been synthesized, characterized and studied by theoretical calculations. For a matter of fact, those complexes are much different than real active N2‐binding Fe‐sites of FeMoco, which possesses a central C(4‐) ion having an eight valence electrons as an μ6‐bridge. Here, a series of [(S3C(0))Fe(II/I/0)‐N2]n‐ complexes in different charged/spin states containing a coordinated σ‐ and π‐donor C(0)‐atom which possesses eight outer shell electrons [carbone, (Ph3P)2C(0); Ph3P→C(0)←PPh3] and three S‐donor sites (i.e. ‐S‐Ar), have been studied by DFT, QTAIM, and EDA‐NOCV calculations. The effect of the weak field ligand on Fe‐centres and the subsequent N2‐binding has been studied by EDA‐NOCV analysis. The role of the oxidation state of Fe and N2‐binding in different charged and spin states of the complex have been investigated by EDA‐NOCV analyses. The intrinsic interaction energies of the Fe−N2 bond are in the range from −42/−35 to −67 kcal/mol in their corresponding ground states. The S3C(0) donor set is argued here to be closer to the actual coordination environment of one of the six Fe‐centres of nitrogenase. In comparison, the captivating model complexes reported by Holland et al. and Peter et al. possess a stronger π‐acceptor C‐ring (S2Cring donor, π‐C donor) and stronger donor set like CP3 (σ‐C donor) ligands, respectively.