bluuebunny/crossref_metadata_2025_split huggingface dataset:
Residual persistence of cytotoxicity lymphocytes and regulatory T cells in patients with severe coronavirus disease 2019 over a 1‐year recovery process
Authors: Mitsuyama Yumi , Yamakawa Kazuma , Kayano Katsuhide , Maruyama Miho , Umemura Yutaka , Wada Takeshi , Fujimi Satoshi 
Published: October 2022

AimTo clarify the immune cellular changes in critically ill patients recovering from coronavirus disease 2019 (COVID‐19).MethodsThe immune response of peripheral blood mononuclear cells from patients with severe COVID‐19 in different stages of recovery (3, 6, and 12 months from hospitalization) was evaluated by single‐cell mass cytometry. Immunological changes in patients were compared with those in age‐matched healthy donors.ResultsThree patients with severe COVID‐19 were compared with four healthy donors. In the patients, there was an increase in the cell density of CD4‐ and CD8‐positive T lymphocytes, and B cells, over the course of the recovery period. CD4‐ and CD8‐positive T lymphocytes expressing T‐bet and granzyme B (Gzm B) in patients were abundant during all recovery periods. The level of regulatory T cells remained high throughout the year. The levels of natural killer (NK) cells in patients were higher than in those in the healthy donors, and the frequency of CD16+ NK cells expressing Gzm B increased throughout the year.ConclusionPatients recovering from severe COVID‐19 showed persistence of cytotoxic lymphocytes, NK cells, and regulatory T cells throughout the posthospitalization year of recovery.
Dissecting Critical Factors for Electrochemical CO2 Reduction on Atomically Precise Au Nanoclusters
Authors: Li Site , Nagarajan Anantha Venkataraman , Du Xiangsha , Li Yingwei , Liu Zhongyu , Kauffman Douglas R. , Mpourmpakis Giannis , Jin Rongchao 
Published: October 2022

AbstractThis work investigates the critical factors impacting electrochemical CO2 reduction reaction (CO2RR) using atomically precise Au nanoclusters (NCs) as electrocatalysts. First, the influence of size on CO2RR is studied by precisely controlling NC size in the 1–2.5 nm regime. We find that the electrocatalytic CO partial current density increases for smaller NCs, but the CO Faradaic efficiency (FE) is not directly associated with the NC size. This indicates that the surface‐to‐volume ratio, i.e. the population of active sites, is the dominant factor for determining the catalytic activity, but the selectivity is not directly impacted by size. Second, we compare the CO2RR performance of Au38 isomers (Au38Q and Au38T) to reveal that structural rearrangement of identical size NCs can lead to significant changes in both CO2RR activity and selectivity. Au38Q shows higher activity and selectivity towards CO than Au38T, and density functional theory (DFT) calculations reveal that the average formation energy of the key *COOH intermediate on the proposed active sites is significantly lower on Au38Q than Au38T. These results demonstrate how the structural isomerism can impact stabilization of reaction intermediates as well as the overall CO2RR performance of identical size Au NCs. Overall, this work provides important structure–property relationships for tailoring the NCs for CO2RR.
On‐off‐on Control of Molecular Inversion Symmetry via Multi‐stage Protonation: Elucidating Vibronic Laporte Rule
Authors: Stark Charles W. , Rammo Matt , Trummal Aleksander , Uudsemaa Merle , Pahapill Juri , Sildoja Meelis‐Mait , Tshepelevitsh Sofja , Leito Ivo , Young David C. , Szymański Bartosz , Vakuliuk Olena , Gryko Daniel T. , Rebane Aleksander 
Published: October 2022

AbstractThe Laporte rule dictates that one‐ and two‐photon absorption spectra of inversion‐symmetric molecules should display alternatively forbidden electronic transitions; however, for organic fluorophores, drawing clear distinction between the symmetric‐ and non‐inversion symmetric two‐photon spectra is often obscured due to prevalent vibronic interactions. We take advantage of consecutive single‐ and double‐protonation to break and then reconstitute inversion symmetry in a nominally symmetric diketopyrrolopyrrole, causing large changes in two‐photon absorption. By performing detailed one‐ and two‐photon titration experiments, with supporting quantum‐chemical model calculations, we explain how certain low‐frequency vibrational modes may lead to apparent deviations from the strict Laporte rule. As a result, the system may be indeed considered as an on‐off‐on inversion symmetry switch, opening new avenues for two‐photon sensing applications.
A Sustainable NH4+Ion Battery by Electrolyte Engineering
Authors: Tian Zhengnan , Yin Jun , Guo Tianchao , Zhao Zhiming , Zhu Yunpei , Wang Yizhou , Yin Jian , Zou Yeguo , Lei Yongjiu , Ming Jun , Bakr Osman , Mohammed Omar F. , Alshareef Husam N. 
Published: October 2022

AbstractAqueous ammonium ion battery is a promising sustainable energy storage system. However, the side reactions originating from electrolytes (the water decomposition and host material dissolution) preclude its practical applications. Unlike the metal‐based aqueous batteries, the idea of “ultrahigh concentrated electrolyte” is not feasible due to the strong hydrolysis of ammonium ions. Therefore, we propose an effective and sustainable strategy for the water hydrogen bond network modulation by adding sucrose into the electrolytes. The sucrose can form sucrose‐water hydrogen bond networks to break the continuous water hydrogen bond network, thereby inhibiting water decomposition significantly. Moreover, the weak hydrogen bond interaction between ammonium and sucrose facilitates rapid ion migration, leading to an improved ionic conductivity. This work presents a new electrolyte modulating strategy for the practical application of aqueous ammonium ion batteries.
Organic Zinc‐Ion Battery: Planar, π‐Conjugated Quinone‐Based Polymer Endows Ultrafast Ion Diffusion Kinetics
Authors: Ye Fei , Liu Qiang , Dong Hongliang , Guan Kailin , Chen Zhaoyang , Ju Na , Hu Linfeng 
Published: October 2022

AbstractA novel poly(phenazine‐alt‐pyromellitic anhydride) (PPPA) has been successfully designed and synthesized via a condensation polymerization strategy as promising cathode material in organic zinc‐ion batteries. Electrochemical quartz crystal microbalance (EQCM), FTIR and XPS characterizations verify a reversible Zn2+‐coordination mechanism in our PPPA cathode. Intriguingly, an ultrahigh Zn2+diffusion coefficient of 1.2×10−7 cm2 s−1was found in this large π‐conjugated system, which is the highest one among all organic cathode materials for zinc‐ion batteries. Theoretical calculations reveal the extended π‐conjugated plane in our PPPA sample results in a significant reduction on energy gap, effectively accelerating intramolecular electron transfer during charge/discharge process. Our finding provides insights to achieve high zinc‐ion transport kinetics by a design strategy on planar polymer system.
Competitive Non‐Radical Nucleophilic Attack Pathways for NH3 Oxidation and H2O Oxidation on Hematite Photoanodes
Authors: Wu Lei , Tang Daojian , Xue Jing , Liu Siqin , Wang Jiaming , Ji Hongwei , Chen Chuncheng , Zhang Yuchao , Zhao Jincai 
Published: October 2022

AbstractThe sluggish H2O oxidation kinetics on photoanodes severely obstructs the overall solar‐to‐energy efficiency of photoelectrochemical (PEC) cells. Herein, we find a 10 to 55‐fold increase of photocurrent by conducting ammonia oxidation reaction (AOR) on hematite (α‐Fe2O3) photoanodes under near‐neutral pH (9–11) and moderate applied potentials (1.0–1.4 VRHE) compared to H2O oxidation. By rate law analysis and operando spectroscopic studies, we confirm the non‐radical nucleophilic attack of NH3 molecules on high‐valent surface Fe−O species (e.g., FeIV=O) and Fe−N species that produces NOx− and N2, respectively, which overwhelms the nucleophilic attack of H2O on surface FeIV=O and contributes to a high Faradaic efficiency of above 80 % for AOR. This work reveals a novel non‐radical nucleophilic attack strategy, which is significantly different from the conventional indirect radical‐mediated AOR mechanism, for the rational design of high‐performance AOR photoelectrocatalysts.
Gold(I) Multi‐Resonance Thermally Activated Delayed Fluorescent Emitters for Highly Efficient Ultrapure‐Green Organic Light‐Emitting Diodes
Authors: Cai Siyuan , Tong Glenna So Ming , Du Lili , So Gary Kwok‐Ming , Hung Faan‐Fung , Lam Tsz‐Lung , Cheng Gang , Xiao Hui , Chang Xiaoyong , Xu Zong‐Xiang , Che Chi‐Ming 
Published: October 2022

AbstractAcceleration of singlet‐triplet intersystem crossings (ISC) is instrumental in bolstering triplet exciton harvesting of multi‐resonance thermally activated delayed fluorescent (MR‐TADF) emitters. This work describes a simple gold(I) coordination strategy to enhance the spin‐orbit coupling of green and blue BN(O)‐based MR‐TADF emitters, which results in a notable increase in rate constants of the spectroscopically observed ISC process to 3×109 s−1 with nearly unitary ISC quantum yields. Accordingly, the resultant thermally‐stable AuI emitters attained large values of delayed fluorescence radiative rate constant up to 1.3×105/1.7×105 s−1 in THF/PMMA film while preserving narrowband emissions (FWHM=30–37 nm) and high emission quantum yields (ca. 0.9). The vapor‐deposited ultrapure‐green OLEDs fabricated with these AuI emitters delivered high luminance of up to 2.53×105 cd m−2 as well as external quantum efficiencies of up to 30.3 % with roll‐offs as low as 0.8 % and long device lifetimes (LT60) of 1210 h at 1000 cd m−2.
Organizing Enzymes on Self‐Assembled Protein Cages for Cascade Reactions
Authors: Kang Wei , Ma Xiao , Kakarla Deepika , Zhang Huawei , Fang Yunming , Chen Baizhu , Zhu Kongfu , Zheng Danni , Wu Zhiyue , Li Bo , Xue Chuang 
Published: October 2022

AbstractCells use self‐assembled biomaterials such as lipid membranes or proteinaceous shells to coordinate thousands of reactions that simultaneously take place within crowded spaces. However, mimicking such spatial organization for synthetic applications in engineered systems remains a challenge, resulting in inferior catalytic efficiency. In this work, we show that protein cages as an ideal scaffold to organize enzymes to enhance cascade reactions both in vitro and in living cells. We demonstrate that not only enzyme‐enzyme distance but also the improved Km value contribute to the enhanced reaction rate of cascade reactions. Three sequential enzymes for lycopene biosynthesis have been co‐localized on the exterior of the engineered protein cages in Escherichia coli, leading to an 8.5‐fold increase of lycopene production by streamlining metabolic flux towards its biosynthesis. This versatile system offers a powerful tool to achieve enzyme spatial organization for broad applications in biocatalysis.
Novel aldo–keto reductase AKR2E9 regulates aldehyde content in the midgut and antennae of the silkworm (Bombyx mori)
Authors: Yamamoto Kohji , Endo Satoshi 
Published: October 2022

AbstractWe studied the effects of green leaf volatiles (including reactive aldehydes) emitted by plants on insects that feed on these plants. The silkworm (Bombyx mori) is a model lepidopteran that eats mulberry leaves. Defense‐related enzymes in silkworms can be targeted for developing new pest control methods. The aldo–keto reductase (AKR) superfamily catalyzes aldehyde reduction by converting a carbonyl group into an alcohol group. Here, we characterized a novel silkworm AKR, designated as AKR2E9. Recombinant AKR2E9 was overexpressed in Escherichia coli. The recombinant protein was used, along with nicotinamide adenine dinucleotide phosphate as a coenzyme, to reduce aldehydes present in mulberry (Morus alba) leaves. The catalytic efficiency of AKR2E9 toward various aldehyde substrates and its inhibitor sensitivity was lower than those of AKR2E8. High expression levels of akr2e9 messenger RNA (mRNA) were detected in the midgut and antennae of silkworms. In the antennae of adult silkworms, akr2e9 mRNA was more abundant than akr2e8 mRNA. The catalytic efficiency of AKR2E9 was low because of steric hindrance, due to which its active site is blocked. High expression levels of AKR2E9 in the midgut and antennae suggest that it may regulate the detoxification of toxic aldehydes in silkworms.
A structural equation model analysis of the relationship between maternal fear of childbirth and expectant fathers’ fear of childbirth: The mediating role of fathers’ depression, anxiety, and stress
Authors: Ghaffari Seyedeh Fatemeh , Elyasi Forouzan , Nikbakht Roya , Shahhosseini Zohreh 
Published: October 2022

AbstractIntroductionSome fathers experience traumatic and unpleasant feelings such as fear of childbirth during pregnancy and childbirth. This study aimed to determine the mediating role of the expectant fathers’ depression, anxiety, and stress in the relationship between maternal fear of childbirth and paternal fear of childbirth.MethodsIn this cross‐sectional study, using a two‐stage sampling method, 502 expectant Iranian fathers and their wives in the second half of pregnancy were recruited. The participants completed self‐administered questionnaires, including the fathers’ fear of childbirth scale, the Wijma delivery expectancy/experience questionnaire, and the depression, anxiety, and stress scale‐21. To analyze the data, structural equation modeling was employed in the Amos software version 24.ResultsResults indicated an acceptable fit of the model to the data. Maternal fear of childbirth was associated with paternal fear of childbirth, directly (β = 0.23, p = .046) and indirectly through the mediator of paternal depression, anxiety, and stress (β = .17, p = .007). The expectant fathers’ stress had a greater impact on their fear of childbirth.ConclusionsBy considering the role of maternal fear of childbirth as well as expectant fathers’ depression, anxiety, and stress on paternal fear of childbirth, it seems this study has some practical implications for improving the fathers’ psychological well‐being.
Greening the business: How ambidextrous companies succeed in green innovation through to sustainable development
Authors: Cancela Beatriz Lopes , Coelho Arnaldo , Duarte Neves Maria Elisabete 
Published: October 2022

AbstractThis paper seeks to investigate the impact of ambidexterity (exploration and exploitation) on green product innovation and the success of new products through the effects of sustainability, considering the moderating role of customer pressure. This research proposes a theoretical model that was tested using structural equation modelling (SEM) and a multigroup analysis to understand the moderating role of customer pressure. A 23‐item questionnaire was developed to explore the proposed relationships, applied in two different moments, answered by two other critical respondents from each company. At the end of the second collection moment, 336 valid questionnaires were collected from a sample of industrial SMEs in Portugal. The results show a positive influence of ambidexterity on sustainability and, therefore, on new product success and green product innovation. In addition, green product innovation increases the success of new products due to the growing demand for more sustainable products. Furthermore, the chain of effects between ambidexterity and further product success was strengthened when customer pressure was higher. This study stresses the need to actively manage exploration and exploitation investments to enhance ambidexterity, especially when sustainability and green innovation are the expected outcomes. The originality of this research is related to the contributions of hierarchical dynamic capabilities, combining and balancing exploration and exploitation, to produce successful ambidextrous companies in sustainability and green strategies.
The role of place in shaping responsibility logics: Revisiting the relation between place and business sustainability
Authors: Hermelingmeier Verena , Augenstein Karoline , Palzkill Alexandra 
Published: October 2022

AbstractPlace has been suggested to play a role for the sustainability orientation in business. A research gap exists in zooming in further on this relationship and in analysing how the organizational sense of place influences such an orientation. Applying the conceptual lens of institutional logics, we operationalize sustainability orientation as hybrid responsibility logic and analyse the role of place in the forming of such a logic. We present the results of a case study of businesses from a local sustainability network in the German city of Wuppertal and surroundings. Based on qualitative interview data, we found place to function as a coping mechanism in dealing with conflicting logics in the context of sustainability challenges. Across four heuristic types, we describe different roles of place in shaping responsibility logics: from providing the scenery for philanthropic engagement to being the nucleus for transformational efforts.
Cyclin‐dependent kinase subunit2 (CKS2) promotes malignant phenotypes and epithelial‐mesenchymal transition‐like process in glioma by activating TGFβ/SMAD signaling
Authors: Feng Fan , Zhao Zongqing , Cai Xuechang , Heng Xueyuan , Ma Ximeng 
Published: October 2022

AbstractBackgroundGliomas are a group of primary intracranial tumors with high morbidity and mortality. The previous researches indicated a crucial role of CKS2 (cyclin‐dependent kinases regulatory subunit 2) in hepatocellular carcinoma and breast cancer; however, little is known about the molecular mechanism of CKS2 in the tumorigenesis and epithelial‐mesenchymal transition‐like (EMT) process in glioma.MethodsDatasets for bioinformatics analysis were obtained from the GEO, TCGA and CGGA databases. qRT‐PCR, western blotting (WB), and immunohistochemistry (IHC) assays were used to investigate the expression patterns of CKS2 among glioma and brain tissues. Glioma cells were transfected with small interfering RNA/overexpression plasmid against CKS2, then clone formation assay, CCK‐8, wound healing, Transwell assay, and flow cytometry were performed to detect changes in cell viability, invasiveness, and the apoptosis rate. Markers of cell invasion, apoptosis, EMT and TGFβ/SMAD signaling were evaluated by WB and immunofluorescence (IF) assays.ResultsWe found that CKS2 overexpression correlates with poor prognosis in human glioma and knockdown of CKS2 could inhibit cell proliferation, migration, invasion, and induced apoptosis in glioma cells. Besides, we also found that knockdown of CKS2 could reverse the EMT process via modulating EMT‐related molecules. Glioma cells with overexpression of CKS2 were constructed to confirmed the fact that CKS2 induced nucleocytoplasmic translocation of SMAD2/3 and activated TGFβ/SMAD pathway, then upregulated its downstream targets expression, while inhibition of TGFβ/SMAD (by TGFβ inhibitor LY2157299 or SMAD4 siRNA) could reverse the tumor‐promoting effects and malignant phenotype caused by CKS2 overexpression.ConclusionsWe identified CKS2 as a critical contributor to the gliomagenesis, which might provide a novel therapeutic target for inhibiting the spread and infiltration of glioma.
Notch signaling‐induced cyclin d1 in diabetes ameliorating effects of the isolated polysaccharide from Rosa canina: In vitro and in vivo studies
Authors: Sajadimajd Soraya , Bahrami Gholamreza , Mohammadi Bahareh , Madani Seyed Hamid 
Published: October 2022

AbstractNotch signaling has a role in the expansion of the pancreas and the pathogenesis of diabetes. Modulation of Notch signaling by natural products seems to pave the way for treating diabetes. This research aimed to scrutinize the involvement of the Notch cascade in the diabetes‐ameliorating effects of an isolated polysaccharide from Rosa canina. The isolated polysaccharide was characterized using Fourier transform infrared, nuclear magnetic resonance, high‐performance gel‐permeation chromatography, and liquid chromatography with tandem mass spectrometry techniques. Rat pancreatic β cells and STZ‐induced diabetic rats were treated with the isolated polysaccharide. MTT assay, cell cycle analysis, quantative realtime‐polymerase chain reaction, immunohistochemistry, and immunoblotting were used to reveal the growth and the expression levels of Notch1, DLL4, Jagged‐1, hes1, Ins‐1, Pdx‐1, and cyclin d1 in treated and untreated pancreatic cells and tissues. The ameliorating effect of the polysaccharide in STZ‐treated cells was accomplished by upregulation of cyclin d1 and hes1 as well as cell cycle progression. Notch inhibition by LY‐411575 was associated with the downregulation of cyclin d1 which upregulates with polysaccharide treatment. The significant expression of cyclin d1 (90%) and nuclear expression of hes1 in the pancreas of the polysaccharide group were accompanied by improvement of hyperglycemia and associated biochemical factors as well as regeneration of islet cells as compared to untreated diabetic rats. Based on these findings, upregulation of Notch signaling‐induced cyclin d1 could be proposed as the underlying diabetes‐reducing effects of the isolated polysaccharide derivative implying that cyclin d1 actuation through activation of the Notch‐DLL4 circuit may play the causal role in the treatment of diabetes.
Coordination Engineering of Single‐Atom Iron Catalysts for Oxygen Evolution Reaction
Authors: Yang Weijie , Zhou Binghui , Jia Zhenhe , Wu Chongchong , Wei Li , Gao Zhengyang , Li Hao 
Published: October 2022

AbstractDeveloping highly active oxygen evolution reaction (OER) catalyst is essential to improve the performance of a water electrolyzer, where single‐atom catalysts (SACs) have shown promising performance in recent years. However, while SACs with various coordination environment have become experimentally feasible, knowledge about the structure‐performance relationship of SACs is still very limited, especially for the emerging multiple p‐block element‐doped SACs substrates. Herein, by adjusting the coordination environment of single‐atom iron catalysts, 122 SACs with various substrates were designed for comprehensive analysis. Through spin‐polarized density functional theory calculations with van der Waals corrections, 52 stable single‐atom iron catalysts were identified. To analyze their OER performance, an OER volcano activity model was derived to predict their performance as the function of O* and HO* binding free energies. Interestingly, a Fe1B1C1N2‐pen structure was found to have an outstanding OER activity (with a theoretical overpotential of 0.40 V vs. reversible hydrogen electrode) due to its unique adsorption mode that strengthens HO‐bonding by forming the Fe−OH−B bond. Based on these results, the OER performance of 26 TM1/B1C1N2‐pen (TM=Ti−Zn, Zr−Cd, and Hf−Au) SACs were determined based on this unique coordination environment by B‐doping. Most importantly, this study shows that the OER performance of SACs can be significantly improved by tuning the coordination environment of an active metal center.
Effects of Structured 3D Electrodes on the Performance of Redox Flow Batteries
Authors: De Wolf Renée , De Rop Michiel , Hereijgers Jonas 
Published: October 2022

AbstractInvited for this issue's Front Cover is the Research group Applied Electrochemistry & Catalysis of the University of Antwerp. The cover picture shows an exploded view of the redox flow battery used to study the influence of structured 3D electrodes and how they can control the flow profile of the electrolyte. Read the full text of the Research Article at 10.1002/celc.202200640.