bluuebunny/crossref_metadata_2025 huggingface dataset:
Unraveling the Catalytic Activity of Fe–Based Compounds toward Li2Sx in Li–S Chemical System from d–p Bands
Authors: Shen Jiadong , Xu Xijun , Liu Jun , Wang Zuosen , Zuo Shiyong , Liu Zhengbo , Zhang Dechao , Liu Jiangwen , Zhu Min
Published: May 2021

Lithium–sulfur batteries have ultra–high energy density and are considered to be one of the most promising energy storage systems among all battery systems. However, due to various thorny problems, their commercial production has not yet been realized. The current experimental research normally lacks a systematic investigation into the conversion mechanism of the sulfur cathode from the electronic structure level. Actually, there is still a lack of powerful theoretical guidance for the design of high–performance Li–S batteries and the selection of modified materials still seems blind. In this article, with the chelated Fe‐polyvinyl pyrrolidone as the precursor, a series of Fe–based materials (e.g., Fe3O4@C, FeS@C, Fe3N@C) are synthesized as modified layers for battery separators, and the performance differences between them are systematically studied. It is found that the d–p band center model developed based on the d band center can reasonably combine the reaction potential of Li2S4  and performance differences. Simultaneously, the interaction between Li2S6  and the adsorption interface is simulated by ab initio molecular dynamics. This current work sheds light on promising material design for superior Li–S batteries both from a theoretical and experimental perspective.
Dimensionality, Function and Performance of Carbon Materials in Energy Storage Devices
Authors: Xiao Jing , Han Junwei , Zhang Chen , Ling Guowei , Kang Feiyu , Yang Quan‐Hong
Published: May 2021

Carbon materials show their importance in electrochemical energy storage (EES) devices as key components of electrodes, such as active materials, conductive additives and buffering frameworks. To meet the requirements of vastly developing markets related to EES, especially for electric vehicles and large scale energy storage, the rational design of functional carbon materials with the basis of a deep understanding of the structure‐property relationships is demanded, in which dimensionality variations and hybridizations of the carbon materials play critical roles in improving electrochemical performances of EES devices. This review focuses on the dimensionality manipulation in functional carbon materials, including transition, matching and integration, to optimize the reaction space, interface and framework in electrodes, respectively. This review gives a comprehensive review on how the dimensionality manipulation improves performance of the carbon‐based electrodes in kinetics optimization, electron transfer acceleration, mechanical stabilization and thermal dissipation upon charging/discharging. The report ends with a critical perspective on the future challenges facing carbon‐based electrodes with dimensionality dependence. The progress highlighted here is expected to provide a guidance for the precise design and targeted synthesis of dimensionality varied carbon‐based electrode materials towards safe and high performance EES devices and the resulting optimized energy deployments.
Bioinspired, Tree‐Root‐Like Interfacial Designs for Structural Batteries with Enhanced Mechanical Properties
Authors: Jin Tianwei , Ma Yirui , Xiong Zechen , Fan Xiaoyu , Luo Yu , Hui Zeyu , Chen Xi , Yang Yuan
Published: May 2021

Structural batteries are attractive for weight reduction in vehicles, such as cars and airplanes, which requires batteries to have both excellent mechanical properties and electrochemical performance. This work develops a scalable and feasible tree‐root‐like lamination at the electrode/separator interface, which effectively transfers load between different layers of battery components and thus dramatically enhances the flexural modulus of pouch cells from 0.28 to 3.1 GPa. The underlying mechanism is also analyzed by finite element simulations. Meanwhile, the interfacial lamination has a limited effect on the electrochemical performance of Li‐ion cells. A graphite/LiNi0.5Mn0.3Co0.2O2 full cell with such interfacial lamination delivers a steady discharge capacity of 148.6 mAh g−1 at C/2 and 95.5% retention after 500 cycles. Moreover, the specific energy only decreases by 3%, which is the smallest reduction reported so far in structural batteries. A prototype of “electric wings” is also demonstrated, which allows an aircraft model to fly steadily. This work illustrates that engineering interfacial adhesion is an effective and scalable approach to develop structural batteries with excellent mechanical and electrochemical properties.
Fabrication Method‐Engineered Cu–ZnO/SiO2 Catalysts with Highly Dispersed Metal Nanoparticles toward Efficient Utilization of Methanol as a Hydrogen Carrier
Authors: Ye Run-Ping , Chen Yanping , Reina Tomas Ramirez , Cao Zezhong , Xu Tao , Chen Xuelian , Jin Yonggang , Zhang Xiao Li , Liu Jian
Published: May 2021

CO2 hydrogenation to methanol and methanol steam reforming (MSR) are regarded as two critical reactions for transportation and on‐site production of hydrogen, but it still lacks of efficient catalysts for both reactions. Herein, the CuZnSi‐ammonia evaporation method (AEM) catalyst prepared by AEM with extremely low metal loading and highly dispersed Cu/Zn species, in particular, high concentration of Cu+ species, exhibits an optimum space‐time yield of methanol (1888.3 g kgCu−1 h−1) and an exceptional specific activity of 282.6  kgCu−1 h−1, which is higher than a majority of the reported catalysts. Furthermore, the CuZnSi‐AEM catalyst is also active for MSR reaction with low CO selectivity. The results reveal that the morphology, exposed Cu+ species, and synergistic Cu–ZnOx interaction are the key guiding factors for the successful utilization of methanol as a hydrogen carrier.
Near‐term challenges for global agriculture: Herbicide‐resistant weeds
Authors: Clay Sharon A.
Published: May 2021

Prior to the 1950s, weeds were controlled by a wide variety of mechanical and cultural methods with limited use of inorganic chemicals at very high rates (100s kg ha–1). With the advent of selective carbon‐based herbicides in the 1950s, herbicide weed management became the norm throughout much of the world, using grams to a few kilograms of active ingredient per hectare. However, with the benefits, there are problems. A few resistant weeds were recognized in the 1970s, but in 2021, 521 unique cases of resistance have been documented throughout the world. It is imperative for farmers to rethink the herbicide paradigm and for researchers to explore and provide alternative weed management methods so that today's herbicides maintain efficacy and benefits into the future. Near‐term management strategies include going back to more integrated approaches, using mechanical techniques, and linking to new technologies to hit weeds with “many little hammers” rather than the “sledge hammer” of one or multiple herbicides.
Flexible dielectric ZnO‐doped reduced graphene oxide bionanocomposites from solution blending for potential application in bio‐related devices
Authors: Gouvêa Rodrigo Ferreira , Ferreira Willian Hermogenes , Souto Loan Filipi Calheiros , Gonçalves Raquel Pires , Soares Bluma Guenther , Andrade Cristina Tristão
Published: May 2021

Biocompatible materials with high dielectric constant and low dielectric loss have applications in bio‐related electronic devices. Development of flexible materials with those properties is still a challenge. In this work, electrospun membranes and films are prepared from poly(vinyl alcohol) (PVA) and chitosan (CS) solutions, incorporated with a reduced graphene oxide‐zinc oxide composite (rGO‐ZnO). Blending CS with flexible PVA favors electrospinnability and mechanical properties. ZnO contributes to hinder agglomeration of conductive rGO sheets. The structural, mechanical, dielectric and electrical properties of the hybrid materials are investigated. Infrared spectroscopy reveals interaction between the filler and the polymeric components. For mats and films, the increase in rGO‐ZnO content leads to lower crystallinity. The Young's modulus and stress at break values increase with increasing rGO‐ZnO content. High dielectric constants (ε' = 132 to ε' = 166, at 103 Hz), associated with low dielectric loss factor (tan δ = 0.02), are determined for the PVA/CS/rGO‐ZnO films.
Genre analysis of movies using a topic model of plot summaries
Authors: Matthews Paul , Glitre Kathrina
Published: May 2021

Genre plays an important role in the description, navigation, and discovery of movies, but it is rarely studied at large scale using quantitative methods. This allows an analysis of how genre labels are applied, how genres are composed and how these ingredients change, and how genres compare. We apply unsupervised topic modeling to a large collection of textual movie summaries and then use the model's topic proportions to investigate key questions in genre, including recognizability, mapping, canonicity, and change over time. We find that many genres can be quite easily predicted by their lexical signatures and this defines their position on the genre landscape. We find significant genre composition changes between periods for westerns, science fiction and road movies, reflecting changes in production and consumption values. We show that in terms of canonicity, canonical examples are often at the high end of the topic distribution profile for the genre rather than central as might be predicted by categorization theory.
Relational capital, environmental knowledge integration, and environmental performance of small and medium enterprises in emerging markets
Authors: Zahoor Nadia , Gerged Ali Meftah
Published: May 2021

Although several prior studies have examined associations between firm social capital and environmental sustainability, the links between relational resources (i.e., relational capital and ties strength), environmental knowledge integration, and environmental performance have yet to be well established at the micro‐level. This study, therefore, aims to determine (1) how environmental knowledge integration serves as a mediating mechanism for the relationship between relational capital and environmental performance and (2) how this impact differs at different levels of ties strength. A quantitative approach has been adopted to examine the main hypotheses using a structural equation model (SEM) technique. Two groups of actors were surveyed, including chief executive officers (CEOs) and financial officers of small and medium‐sized enterprises (SMEs) operating in Dubai, United Arab Emirates. In total, 216 survey responses were gathered, suggesting a response rate of 73.22%. Our findings suggest that environmental knowledge integration is a vital mediating mechanism for the relationship between relational capital and SMEs' environmental performance. Also, we find that ties strength moderates the indirect effect of relational capital on SMEs' environmental performance via environmental knowledge integration. Our empirical evidence provides recommendations for SMEs' managers and policymakers to promote environmental sustainability in the emerging market context.
Does the BuRN‐Tool Score Correctly Predict Cases of Maltreatment in Children Referred for a Child Protection Medical Assessment?
Authors: Evans Eleanor J. , Bennett C. Verity , Hollén Linda , Nuttall Diane , Kemp Alison , Mullen Stephen
Published: May 2021

The BuRN‐Tool is a clinical prediction tool designed to indicate child protection (CP) concerns for children attending the emergency department with a burn. Eight weighted factors contribute to a summative score between 0 and 12, a score ≥3 indicates a CP concern. In order to test agreement of the BuRN‐Tool score with CP concern and with the social care CP outcome, it was applied retrospectively to 52 children referred for a CP medical evaluation following a burn. Data were collected from case notes using a purpose‐designed proforma and a score calculated for each. Outcomes were classified as ‘maltreatment‐probable’ (‘physical abuse’ or ‘neglect’) or ‘maltreatment‐unlikely’, according to social care CP outcomes. The BuRN‐Tool correctly identified 49/52 (94.2%) as a CP concern, with scores significantly higher in ‘maltreatment‐probable’ (n = 17) than ‘maltreatment‐unlikely’ cases (n = 35, p = 0.01). Scores for ‘maltreatment‐unlikely’ were lower (median [IQR]: 5 [4–7]) than for maltreatment likely for ‘physical abuse’ cases (median [IQR]: 8 [7–9]; p = 0.005). ‘Maltreatment unlikely’ scores did not differ from ‘neglect’ scores (median [IQR]: 7 [5–7]; p = 0.14), a non‐parametric trend test confirmed a significant increase in scores across the three ordered groups (p = 0.003). The BuRN‐Tool is not a diagnostic, but a screening tool. Consistent with their referral for a CP evaluation, the majority of children scored >3 on the BuRN‐Tool. However, for children where ‘maltreatment was probable’ the BuRN‐Tool scores were higher.

Key Practitioner Messages

The BuRN‐Tool correctly classified 49/52 children who were referred to a CP medical team with a CP concern for assessment following a burn.

Cases with an outcome of ‘maltreatment‐probable’ had a significantly higher BuRN‐Tool score than those where maltreatment was deemed unlikely.

The highest BuRN‐Tool scores had the potential to distinguish injuries caused by physical abuse from those where maltreatment was unlikely.
Outflow graft obstruction in patients with theHM3LVAD: A percutaneous approach
Authors: Milwidsky Assi , Alvarez Villela Miguel , Wiley Jose , Sanina Cristina , Patel Snehal R. , Sutton Nicole , Latib Azeem , Sims Daniel B. , Forest Stephen J. , Shin Julia J. , Farooq Muhammad U. , Goldstein Daniel J. , Jorde Ulrich P
Published: May 2021

Background

The use of the HeartMate 3 (HM3) left ventricular assist device (LVAD) is expanding. Despite being associated with lower rates of adverse events and increased survival, outflow graft obstruction (OGO) has been reported in patients with HM3. The incidence and best management of this serious complication remain unclear.

Methods

We describe six cases of HM3 OGO occurring in five patients in our institutional HM3 cohort. Four cases underwent computed tomography angiography and in two percutaneous angiography was directly performed to confirm the diagnosis. In four cases, percutaneous repair of the OG was performed using common interventional cardiology (IC) techniques.

Results

Our institutional incidence of OGO was 7% (event rate of 0.05 per patient year); much higher than the previously reported incidence of 1.6%. All cases occurred in the bend relief covered segment. Only two patients had apparent OG twisting, and in two, OGO occurred despite placement of an anti‐twist clip at the time of implant. External compression seems to play a role in most cases.

Balloon “graftoplasty” and stent deployment via the femoral artery alleviated the obstruction and normalized LVAD flow in all patients who underwent percutaneous repair. The use of self‐expanding stents allowed for downsizing of the procedural access site to 10 Fr. No serious procedure‐related complications occurred.

Conclusion

OGO is common in HM3 patients, external compression due to biomaterial accumulated surrounding the OG is a common etiology. Percutaneous repair using standard IC techniques is safe and feasible in cases of compression with or without partial twisting.
Adjuvant cyclin‐dependent kinase 4/6 inhibition in hormone receptor–positive breast cancer: One Monarch to rule them all?
Authors: Dhakal Ajay , Falkson Carla , O’Regan Ruth M.
Published: May 2021

The use of cyclin‐dependent kinase 4/6 (CDK4/6) inhibitors has dramatically improved outcomes for patients with metastatic, hormone receptor (HR)–positive breast cancer. Because of the continued high rate of relapse in patients with node‐positive, HR‐positive disease, evaluating these agents in the adjuvant setting is the logical next step. Three adjuvant CDK inhibitor trials have been reported to date, with only 1 of them showing a statistical advantage for the CDK inhibitor in comparison with endocrine therapy alone. These trials have key similarities and differences that could explain the disparate results. The one positive trial has a relatively short follow‐up, and continued analysis is critical to confirm the benefit of adjuvant CDK inhibition in this setting. It is imperative that predictive biomarkers be determined so that these agents can be used in the patients most likely to benefit and thus the additional toxicity and expense can be avoided in those who do not require these agents.

Lay Summary

There is a critical need for new agents to prevent relapse in patients with hormone receptor–positive breast cancer.

Trials to date evaluating cyclin‐dependent kinase inhibitors, which decrease how quickly cancer cells multiply, have shown mixed results, with only 1 trial demonstrating that these agents decrease recurrence.
Cobalt‐Sputtered Anodic Aluminum Oxide Membrane for Efficient Photothermal CO2 Hydrogenation
Authors: Lou Deyue , Xu Ao‐Bo , Fang Yaosi , Cai Mujin , Lv Kangxiao , Zhang Dake , Wang Xiao , Huang Yang , Li Chaoran , He Le
Published: May 2021

The rational design of nanoarray‐structured catalysts is an accessible way to increase light absorption ability and boost photothermal CO2 conversion efficiency. However, practical application of current nanoarrays is hindered by complex synthesis procedures, high costs, and low catalyst yields. Herein, we report a simple, robust method to prepare efficient photothermal catalyst by sputtering Co nanoparticles on commercial anodic aluminum oxide (AAO) membrane. The detailed study shows that gas diffusion and catalytic activity can be affected by AAO structures, such as channel size and shape. The optimized Co@dpAAO catalyst reached a record Co‐based photothermal CO2 conversion rate of 1666 mmol ⋅ gCo−1 ⋅ h−1. This study not only provides a facile way to synthesize efficient catalysts, but also promotes the understanding of constructing nanoarray‐based photothermal catalysts.
Interactive virtual reality assessment of aggressive social information processing in boys with behaviour problems: A pilot study
Authors: Verhoef Rogier E. J. , van Dijk Anouk , Verhulp Esmée E. , de Castro Bram O.
Published: May 2021

Children's aggressive behaviour is partly determined by how they process social information (e.g., making hostile interpretations or aiming to seek revenge). Such aggressive social information processing (SIP) may be most evident if children are emotionally engaged in actual social interactions. Current methods to assess aggressive SIP, however, often ask children to reflect on hypothetical vignettes. This pilot study therefore examined a new method that actually involves children in emotionally engaging social interactions: interactive virtual reality (VR). We developed a virtual classroom where children could play games with virtual peers. A sample of boys (N = 32; ages 8–13) from regular and special education reported on their SIP in distinct VR contexts (i.e., neutral, instrumental gain and provocation). They also completed a standard vignette‐based assessment of SIP. Results demonstrated good convergent validity of interactive VR assessment of SIP, as indicated by significant moderate to large correlations of VR‐assessed SIP with vignette‐assessed SIP for all SIP variables except anger. Interactive VR showed improved measurement sensitivity (i.e., larger variances in SIP compared to vignettes) for aggressive responding, but not for other SIP variables. Discriminant validity (i.e., distinct SIP patterns across contexts) of interactive VR was supported for provocation contexts, but not for instrumental gain contexts. Last, children were more enthusiastic about the VR assessment compared to the vignette‐based assessment. These findings suggest that interactive VR may be a promising tool, allowing for the assessment of children's aggressive SIP in standardized yet emotionally engaging social interactions.
Pharmacogenetic‐Guided Treatment of Depression: Real‐World Clinical Applications, Challenges, and Perspectives
Authors: Zanardi Raffaella , Manfredi Elena , Montrasio Cristina , Colombo Cristina , Serretti Alessandro , Fabbri Chiara
Published: May 2021

Depression is a leading cause of disability worldwide and, despite the availability of numerous antidepressants, the lack of standardized criteria to apply personalized prescription is still a major issue. Pharmacogenetic (PGx) markers in cytochrome P450 (CYP450) genes are already usable to guide antidepressant choice/titration according to clinical guidelines; they are an important step toward personalized psychiatry as they can reduce the time to identify an effective and tolerated treatment. Clinical application is still limited due to the financial and organizational challenges, but the number of services providing genotyping of pharmacogenes is increasing, with encouraging projections of cost‐effectiveness. Critical aspects that emerged from the available studies are the importance of integration of genotyping results in electronic medical records, standardization, and regular updates of decision support systems, training and collaboration of different professionals, need of longer follow‐ups to estimate cost‐effectiveness, and importance of avoiding inequalities in access to genotyping. Diversities exist among the groups of patients to whom genotyping is offered (pre‐emptive or reactive testing) and the type of clinical services (e.g., hospitals and primary care), currently without a consensus on which is the best approach. Future studies should aim to clarify these issues, as well as consider and compare PGx applications among different countries and healthcare systems. Finally, the extension of genotyping outside pharmacokinetic genes should be considered as a key step to improve the clinical impact of PGx, as this could significantly increase the variance explained in treatment outcomes.
Water footprint, herbage, and livestock responses for nitrogen‐fertilized grass and grass–legume grazing systems
Authors: Jaramillo David Mirabedini , Dubeux José C.B. , Sollenberger Lynn E. , Vendramini Joao M.B. , Mackowiak Cheryl , DiLorenzo Nicolas , Garcia Liza , D. Queiroz Luana M. , Santos Erick R. S. , Homem Bruno G. C. , van Cleef Flavia , Ruiz‐Moreno Martin
Published: May 2021

Replacing N fertilizer with forage legumes may increase sustainability of grazing systems. The objectives were to evaluate herbage and animal responses and to quantify the water footprint associated with beef production in N‐fertilized grass or grass–legume systems during 4 yr under continuous stocking. The three year‐round forage systems were: Grass+N which included N‐fertilized bahiagrass (Paspalum notatum Flüggé) during summer which was overseeded with N‐fertilized cereal rye (Secale cereale L.) and oat (Avena sativa L.) during winter; Grass+Clover included bahiagrass without N fertilizer during summer which was overseeded with rye, oat, and a mixture of clovers (Trifolium spp.) during winter; and Grass+Clover+RP included rhizoma peanut (Arachis glabrata Benth.)–bahiagrass mixture during summer which was overseeded with a similar rye–oat–clover mixture as for Grass+Clover. Clover inclusion improved uniformity of herbage distribution throughout the winter. Including rhizoma peanut increased cattle average daily gain (ADG) by 74% during summer. The ADG in Grass+Clover+RP was 0.61 kg d−1 compared with 0.35 kg d−1 on Grass+N and Grass+Clover. The water footprint during summer was less in Grass+Clover+RP than Grass+Clover (18 and 25 m3 kg−1 bodyweight, respectively). Gain per area (GPA) was similar across all treatments through the year, indicating similar productivity in grass–legume and N‐fertilized grass systems. The N‐fertilizer inputs were reduced from 224 to 34 kg N ha−1 yr−1 in Grass+Clover+RP, compared to Grass+N. Inclusion of rhizoma peanut and clovers contributes to developing sustainable grazing systems with reduced levels of off‐farm inputs.
Dual role of the miR‐146 family in rhinovirus‐induced airway inflammation and allergic asthma exacerbation
Authors: Laanesoo Anet , Urgard Egon , Periyasamy Kapilraj , Laan Martti , Bochkov Yury A. , Aab Alar , Magilnick Nathaniel , Pooga Margus , Gern James E. , Johnston Sebastian L. , Coquet Jonathan M. , Boldin Mark P. , Wengel Jesper , Altraja Alan , Bochenek Grazyna , Jakiela Bogdan , Rebane Ana
Published: May 2021

Rhinovirus (RV) infections are associated with asthma exacerbations. MicroRNA‐146a and microRNA‐146b (miR‐146a/b) are anti‐inflammatory miRNAs that suppress signaling through the nuclear factor kappa B (NF‐κB) pathway and inhibit pro‐inflammatory chemokine production in primary human bronchial epithelial cells (HBECs). In the current study, we aimed to explore whether miR‐146a/b could regulate cellular responses to RVs in HBECs and airways during RV‐induced asthma exacerbation. We demonstrated that expression of miR‐146a/b and pro‐inflammatory chemokines was increased in HBECs and mouse airways during RV infection. However, transfection with cell‐penetrating peptide (CPP)‐miR‐146a nanocomplexes before infection with RV significantly reduced the expression of the pro‐inflammatory chemokines CCL5, IL‐8 and CXCL1, increased interferon‐λ production, and attenuated infection with the green fluorescent protein (GFP)‐expressing RV‐A16 in HBECs. Concordantly, compared to wild‐type (wt) mice, Mir146a/b−/− mice exhibited more severe airway neutrophilia and increased T helper (Th)1 and Th17 cell infiltration in response to RV‐A1b infection and a stronger Th17 response with a less prominent Th2 response in house dust mite extract (HDM)‐induced allergic airway inflammation and RV‐induced exacerbation models. Interestingly, intranasal administration of CPP‐miR‐146a nanocomplexes reduced HDM‐induced allergic airway inflammation without a significant effect on the Th2/Th1/Th17 balance in wild‐type mice. In conclusion, the overexpression of miR‐146a has a strong anti‐inflammatory effect on RV infection in HBECs and a mouse model of allergic airway inflammation, while a lack of miR‐146a/b leads to attenuated type 2 cell responses in mouse models of allergic airway inflammation and RV‐induced exacerbation of allergic airway inflammation. Furthermore, our data indicate that the application of CPP‐miR‐146a nanocomplexes has therapeutic potential for targeting airway inflammation.
Aging affects cognition and hippocampal ultrastructure in male Wistar rats
Authors: Lomidze Nino , Zhvania Mzia G. , Tizabi Yousef , Japaridze Nadezhda , Pochkhidze Nino , Rzayev Fuad , Lordkipanidze Tamar
Published: May 2021

It is now well established that aging is associated with emotional and cognitive changes. Although the basis of such changes is not fully understood, ultrastructural alterations in key brain areas are likely contributing factors. Recently, we reported that aging‐related anxiety in male Wistar rats is associated with ultrastructural changes in the central nucleus of amygdala, an area that plays important role in emotional regulation. In this study, we evaluated the cognitive performance of adolescent, adult, and aged male Wistar rats in multi‐branch maze (MBM) as well as in Morris water maze (MWM). We also performed ultrastructural analysis of the CA1 region of the hippocampus, an area intimately involved in cognitive function. The behavioral data indicate significant impairments in few indices of cognitive functions in both tests in aged rats compared to the other two age groups. Concomitantly, a total number of presynaptic vesicles as well as vesicles in the resting pool were significantly lower, whereas postsynaptic mitochondrial area was significantly higher in aged rats compared to the other age groups. No significant differences in presynaptic terminal area or postsynaptic mitochondrial number were detected between the three age groups. These results indicate that selective ultrastructural changes in specific hippocampal region may accompany cognitive decline in aging rats.
Stereoelectronic Characterization and Catalytic Potential of a 1,3‐Bis(2,6‐terphenyl)‐Substituted N‐Heterocyclic Carbene
Authors: Twycross Daniel , Davey Christopher J. , Cole Marcus L. , McKay Alasdair I.
Published: May 2021

The preparation of a 1,3‐bis(2,6‐terphenyl)imidazol‐2‐ylidene, IDitop (Ditop=2,6‐bis(4‐tolyl)phenyl‐) is reported. Several late transition metal complexes as well as the selenium adduct of IDitop were prepared to study and compare the stereoelectronic properties of IDitop to other well‐known N‐heterocyclic carbenes (NHCs). A study of the steric character of IDitop taken from crystal structure data of the complexes and adducts reveals a high degree of flexibility. Preliminary application to challenging Suzuki coupling reactions was undertaken.
Direct C3 Carbamoylation of 2H‐Indazoles
Authors: Bhat Vighneshwar Shridhar , Lee Anna
Published: May 2021

We developed a novel method for direct C3 carbamoylation of 2H‐indazoles using oxamic acids as carbamoyl radical sources. In the presence of ammonium persulfate, carbamoyl radicals were generated from oxamic acids, then used for further reactions with 2H‐indazoles to afford the desired products. The reaction proceeds under metal‐ and catalyst‐free conditions. This simple process allows for the efficient synthesis of C3 carbamoylated 2H‐indazoles, which are important scaffolds in organic synthesis.
Mechanistic Study of Domino Processes Involving the Bidentate Lewis Acid Catalyzed Inverse Electron‐Demand Diels−Alder Reaction
Authors: Strauss Marcel A. , Kohrs Daniel , Ruhl Julia , Wegner Hermann A.
Published: May 2021

The detailed understanding of mechanisms is the basis to design new reactions. Herein, we studied the domino bidentate Lewis acid catalyzed inverse electron‐demand Diels−Alder (IEDDA) reaction developed in our laboratory computationally as well as by synthetic experiments, to characterize different pathways. A quinodimethane intermediate was identified as key structure, which is the basis for all subsequent transformations: Elimination to an aromatic naphthalene, rearrangement to a dihydroaminonaphthalene and a photo‐induced ring opening. These insights allow to optimize the reaction conditions, such as catalytic utilization of amine, as well as to advance new reactions in the future.
Oxonium Ylides Generated from 1,4‐Disubstituted α‐Diazo Glutaconimides: a Rich Source of Diverse Oxygen Heterocyclic Frameworks
Authors: Guranova Natalia , Dar'in Dmitry , Kantin Grigory , Krasavin Mikhail
Published: May 2021

An underexplored type of heterocyclic α‐diazocarbonyl compounds, α‐diazo glutaconimides was involved in the generation of oxonium ylide species by Rh(II) catalysis in the presence of tetrahydrofuran and 1,4‐dioxane. The formation of a spirocycle through a formal Stevens‐type O→C [1,2]‐shift within the oxonium ylide species in the case of THF was low‐yielding and was accompanied by the known formal O→O [1,4]‐shift to give fused bicyclic products. Reactions with 1,4‐dioxane proved noticeably higher‐yielding with respect to the target spirocycle. In this case, however, the observed by‐products resulted from hitherto not described alternative formal O→C [1,4]‐shift accompanied by the transposition of the double bond. The latter fate of the oxonium ylide species, although minor, is likely attributable to the unique nature of α‐diazo glutaconimides as precursors to Rh(II) carbenes and subsequently formed oxonium ylide.
System behavior prediction by artificial neural network algorithm of a methanol steam reformer for polymer electrolyte fuel cell stack use
Authors: Qi Yuanxin , Andersson Martin , Wang Lei , Wang Jingyu
Published: May 2021

In this paper, a novel membrane reactor (MR) for methanol steam reforming is modeled to produce fuel cell grade hydrogen, which can be used as the inlet fuel for a later developed 500‐W horizon polymer electrolyte fuel cell (PEFC) stack. The backpropagation (BP) neural network algorithm is employed to develop the mapping relation model between the MR's prime operational parameters and fuel cell output performance for future integration system design and control application. Simulation results showed that the MR model performs well for hydrogen production and the developed PEFC system presents good agreement with experimental results. Finally, the BP method captures an accurate mapping relation model between the MR inputs and PEFC output, for example, predicts the system's behavior well.
Are We in a De‐Globalization Process? The Evidence from Global Trade During 2007–2017
Authors: Li Xiaomeng , Shen Chen , Cai Hongbo , Chen Qinghua
Published: May 2021

Through the analysis of statistical data, some scholars believe that the globalization of trade is declining, and de‐globalization has become a trend, even since the financial crisis in 2008. However, the superficial decline of global trade volume cannot be taken as a corollary of the de‐globalization. It needs go deep into the structural analysis, and “globalization or de‐globalization” should be discussed by analyzing whether the global trade structure has changed. This paper finds that during 2007–2017, the global trade resistances are clearly classified, and trade resistance in the global community has increased significantly. Second, an expectation maximization (EM) algorithm is applied to divide global trade relations into two categories: intimate trade relations, whose barriers are mainly related to geographical distance; and unfriendly trade relations with high artificial barriers. Third, the trade purity indicator (TPI) is introduced to describe the trade environment of countries, and its evolution indicates after the financial crisis and for quite a long time, the structure of global trade has not changed much. And it shows some deterioration trend and structural adjustment after 2015, which indicates an opportunity for the emergence of de‐globalization in such an international environment full of uncertainty and challenges.
Clinical Course and Risk Factors for Infection in Severe Forms of Alcohol‐Associated Liver Disease
Authors: Otero Sanchez Lukas , Karakike Eleni , Njimi Hassane , Putignano Antonella , Degré Delphine , Hites Maya , Jacobs Frédérique , Moreno Christophe , Trepo Eric , Gustot Thierry
Published: May 2021

Background and Aims

Infection is a major driver of mortality in patients with advanced alcohol‐associated liver disease (ALD). The epidemiology and clinical course of patients infected with life‐threatening forms of ALD, including severe alcohol‐associated hepatitis (sAH) and decompensated alcohol‐associated cirrhosis (DAC), and specific risk factors for infection remain mostly unknown.

Approach and Results

In this observational study, we assessed all infectious episodes occurring within a 90‐day period from diagnosis in all consecutive patients with biopsy‐proven sAH (modified Maddrey’s discriminant function ≥ 32, Model for End‐Stage Liver Disease [MELD] ≥ 18) and DAC (MELD ≥ 18) without alcohol‐associated hepatitis in our tertiary hospital between 2003 and 2016. A total of 207 patients were included: 139 with sAH and 68 with DAC. One hundred seventeen (84%) patients with sAH and 41 (60%) patients with DAC experienced at least one infection episode at 90 days (P < 0.001). In multivariable analysis, factors associated with the development of infection were the presence of sAH and baseline MELD score. Bacterial infections represented the most common infection in the two groups, and only the MELD score was independently associated with the occurrence of bacterial infection. In both groups, pneumonia was the most prevalent bacterial infection, and gram‐negative bacilli were the main pathogens. Invasive fungal infections (IFI) occurred in 20 (14.5%) patients with sAH and 3 (4.5%) with patients with DAC (P < 0.05). Multivariable regression showed that younger age, higher MELD, and corticosteroid therapy were independently associated with IFI. The 90‐day cumulative incidence of death in patients infected with sAH and patients infected with DAC was 46% and 41.5%, respectively (P = 0.43).

Conclusions

Patients with sAH are more susceptible to develop infection than those with DAC. In life‐threatening forms of ALD, patients who were infected share a similar mortality rate. Corticosteroid treatment, not sAH, seems to be the main risk factor triggering IFI.
Nitrergic modulation of neuronal excitability in the mouse hippocampus is mediated via regulation of Kv2 and voltage‐gated sodium channels
Authors: Scheiblich Hannah , Steinert Joern R.
Published: May 2021

Regulation of neuronal activity is a necessity for communication and information transmission. Many regulatory processes which have been studied provide a complex picture of how neurons can respond to permanently changing functional requirements. One such activity‐dependent mechanism involves signaling mediated by nitric oxide (NO). Within the brain, NO is generated in response to neuronal NO synthase (nNOS) activation but NO‐dependent pathways regulating neuronal excitability in the hippocampus remain to be fully elucidated. This study was set out to systematically assess the effects of NO on ion channel activities and intrinsic excitabilities of pyramidal neurons within the CA1 region of the mouse hippocampus. We characterized whole‐cell potassium and sodium currents, both involved in action potential (AP) shaping and propagation and determined NO‐mediated changes in excitabilities and AP waveforms. Our data describe a novel signaling by which NO, in a cGMP‐independent manner, suppresses voltage‐gated Kv2 potassium and voltage‐gated sodium channel activities, thereby widening AP waveforms and reducing depolarization‐induced AP firing rates. Our data show that glutathione, which possesses denitrosylating activity, is sufficient to prevent the observed nitrergic effects on potassium and sodium channels, whereas inhibition of cGMP signaling is also sufficient to abolish NO modulation of sodium currents. We propose that NO suppresses both ion channel activities via redox signaling and that an additional cGMP‐mediated component is required to exert effects on sodium currents. Both mechanisms result in a dampened excitability and firing ability providing new data on nitrergic activities in the context of activity‐dependent regulation of neuronal function following nNOS activation.
Syringic acid, a novel thyroid hormone receptor‐β agonist, ameliorates propylthiouracil‐induced thyroid toxicity in rats
Authors: Panda Sunanda , Kar Anand , Singh Meenakshi , Singh Ram Kumar , Ganeshpurkar Ankit
Published: May 2021

The aim of this study was to evaluate the potential of syringic acid (SA) against propylthiouracil (PTU)‐induced hypothyroidism in rats. SA at a prestandardized dose, 50 mg/kg/day, was orally administered to PTU‐induced hypothyroid rats for 30 days, and alterations in the levels of serum triiodothyronine (T3), thyroxine (T4), thyrotropin (TSH), alanine transaminase (ALT), and aspartate transaminase (AST); tumor necrosis factor‐α (TNF‐α) and interleukin‐6 (IL‐6); total cholesterol (CHOL) and triglycerides (TG); hepatic lipid peroxidation (LPO) and antioxidants (superoxide dismutase, catalase, glutathione peroxidase, and glutathione content), as well as histological changes in liver and thyroid were examined. The molecular interactions of the ligand, SA, with thyroid‐related protein targets, such as human thyroid hormone receptor β (hTRβ), and thyroid peroxidase (TPO) protein, were studied using molecular docking. Whereas in hypothyroid animals, T4, T3, and antioxidants were decreased, there was an increase in TSH, TNF‐α, IL‐6, ALT, AST, and hepatic LPO; administration of SA in PTU‐induced animals reversed all these indices to near normal levels. SA also improved the histological features of liver and thyroid gland. Our study clearly demonstrates SA as a novel thyroid agonist for augmenting the thyroid functions in rats. Molecular docking analysis reveals that SA possesses good binding affinity toward both the targets, hTRβ and TPO. Through this approach, for the first time we provide the evidence for SA as a novel thyroid agonist and suggest a receptor‐mediated mechanism for its thyroid stimulatory potential.
Pseudogene ANXA2P2 knockdown shows tumor‐suppressive function by inhibition of the PI3K/PKB pathway in glioblastoma cells
Authors: Ni Hongzao , Zhi Rongrong , Zuo Jiandong , Liu Wenguang , Xie Peng , Zhi Zhongwen
Published: May 2021

The pseudogene annexin A2 pseudogene 2 (ANXA2P2) is highly expressed in glioblastoma (GBM). However, its role and mechanism involved in the progression of GBM remain poorly understood. ANXA2P2 messenger RNA expression was measured by quantitative reverse transcription‐polymerase chain reaction. The protein levels were detected by Western blot. Cell viability was evaluated by the 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide and lactate dehydrogenase (LDH) release assays. Cell invasive ability was investigated by the transwell assay and by epithelial–mesenchymal transition (EMT). Cell apoptosis was examined by flow cytometry. The results showed that ANXA2P2 expression was increased in GBM tissues and cells. Silencing of ANXA2P2 inhibited the activation of the phosphoinositide 3‐kinase (PI3K)/protein kinase B (PKB) pathway in GBM cells. Knockdown of ANXA2P2 decreased cell viability, promoted LDH release, suppressed cell invasive ability, and EMT, and induced cell apoptosis in GBM cells. The addition of the PI3K/PKB activator 740Y‐P abrogated the effects of ANXA2P2 knockdown on cell viability, LDH release, invasive ability, and apoptosis. In conclusion, knockdown of ANXA2P2 inhibited cell viability and invasion but promoted the apoptotic rate by suppressing the PI3K/PKB pathway in GBM cells. ANXA2P2 may represent a new target for the treatment of GBM.
Unraveling the biomechanistic role of Rac1/TWEAK/Fn14/NF‐κB intricate network in experimentally doxorubicin‐induced cardiotoxicity in rats: The role of curcumin
Authors: Soliman Nema A. , Abo El Gheit Rehab E. , Abdel Ghafar Muhammad T. , AbuoHashish Norhan A. , Ibrahim Marwa A. A. , Abo Safia Hend S. , El‐Saka Mervat H. , Elshamy Amira M.
Published: May 2021

Doxorubicin (DOX) is an important chemotherapeutic drug. Cardiotoxicity diminishes its clinical efficacy. We aimed to focus on the mechanism of DOX‐induced cardiotoxicity, in addition, to evaluate curcumin's protective effect against it. Twenty‐eight rats were divided into the normal control group I, curcumin‐treated (200 mg/kg body weight [b.w.]) group II,DOX‐treated (4 mg/kg b.w.) group III, and DOX + curcumin group IV. Cardiac injury markers, heart tissue oxidative stress indices, interferon‐gamma (INF‐γ), tumor necrosis factor‐like weak inducer of apoptosis (TWEAK), upregulated modulator of apoptosis (PUMA), p53 and nuclear factor kappa‐B p65 (NF‐κB p65) levels as well as messenger RNA gene expression ofRac1 and fibroblast growth factor‐inducible protein 14(Fn14) were assayed,besides the assay of DNA damage, histopathological changes, survivin immunohistochemistry and electron microscopic examination. Curcumin significantly downregulatedRac1andFn14gene expression and significantly decreased p53, NF‐κB p65, INF‐γ, and PUMA levels in the cardiac tissue. In addition, curcumin improved oxidative stress indices, DNA damage, and cardiac toxicity markers in the form of lactate dehydrogenase (LD), creatine kinase isoenzyme‐MB (CK‐MB), and cardiac troponin‐I (cTn‐I). Meanwhile, upregulated antiapoptotic marker survivin was observed. Light and electron microscopic findings confirmed our biochemical and molecular outcomes. The current study established the antioxidant, anti‐inflammatory, and antiapoptotic roles of curcumin against DOX cardiotoxicity.
Response to comment on “Superposition of waves or densities: Which is the nature of chemical resonance?”
Authors: Wang Yang
Published: May 2021

I reply to the comment by Weinhold and Glendening on the article (J. Comput. Chem. 2021, 42, 412). I provide further explanation and an additional numerical example to support my previous assertion that the present form of natural resonance theory is fundamentally flawed, at least within the DFT framework.
Microscopic analysis of plant‐mediated silver nanoparticle toxicity in rainbow trout fish (Oncorhynchus mykiss)
Authors: Ali Ihsan , Khan Shuaib , Shah Khadim , Haroon  , Kalimullah
Published: May 2021

Over the years, nanoscience and the application of nanomaterials have gained the attention of researchers due to their enormous application history. Especially, the application of AgNPs providing innovative solutions to a wide range of environmental issues, for instance, wastewater treatment, bioremediations, and environmental sensing. Besides all these, the environmental application of silver nanomaterials causes severe problems in the terrestrial and aquatic ecosystems. For their concern, the present study was conducted to expose rainbow trout fish (Oncorhynchus mykiss) to different concentrations of silver nanoparticles for 25 days. In the current study, mortality (LC50), accumulation, and histopathological changes were analyzed. The results have revealed that the silver nanoparticles were mostly accumulated in the liver followed by the intestine, gill, and muscles. The microscopic analysis has shown that the accumulation of silver nanoparticles led to histological changes in gill and intestinal tissues. Necrosis, degeneration, mucus substance on the surface of gill lamella, cell lysis, and gill lamella atrophy were found at (0.04 mg/L) and (0.06 mg/L). The findings in the current study showed less toxicity in the sense of mortality and accumulation of AgNPs. Therefore, further systematic studies are needed to access the influence of silver nanoparticles on the aquatic ecosystem.
A narrative review of evidence to guide deprescribing among older adults
Authors: Ie Kenya , Aoshima Shuichi , Yabuki Taku , Albert Steven M.
Published: May 2021

Potentially inappropriate prescription and polypharmacy are well‐known risk factors for morbidity and mortality among older adults. However, recent systematic reviews have failed to demonstrate the overall survival benefits of deprescribing. Thus, it is necessary to synthesize the current evidence to provide a practical direction for future research and clinical practice. This review summarizes the existing body of evidence regarding deprescribing to identify useful intervention elements. There is evidence that even simple interventions, such as direct deprescribing targeted at risky medications and explicit criteria‐based approaches, effectively reduce inappropriate prescribing. On the other hand, if the goal is to improve clinical outcomes such as hospitalization and emergency department visits, patient‐centered multimodal interventions such as a combination of medication review, multidisciplinary collaboration, and patient education are likely to be more effective. We also consider the opportunities and challenges for deprescribing within the Japanese healthcare system.
A step further in the theory of regional integration: A look at the South American integration strategy
Authors: Bonilla‐Bolaños Andrea
Published: May 2021

Although literature about regional integration is substantial, its definition remains controversial. Indeed, it is common nowadays for the terms regional integration and regional economic integration to be used interchangeably in spite of the importance accorded by literature to non‐economic factors. Inspired on the South American integration strategy—the Union of South American Nations (UNASUR), this paper revisits the theory of regional integration and proposes to analyse regional integration projects from three complementary angles: economic integration, political integration and physical integration. Moreover, it asserts that political and physical integration constitute a preliminary, or contemporaneous, step towards economic integration and not a final stage, as the current debate suggests.