bluuebunny/crossref_metadata_2025 huggingface dataset:
N‐Substituted piperidine‐3‐carbohydrazide‐hydrazones against Alzheimer's disease: Synthesis and evaluation of cholinesterase, beta‐amyloid inhibitory activity, and antioxidant capacity
Authors: Parlar Sulunay , Sayar Gozde , Tarikogullari Ayse H. , Karadagli Sumru Sozer , Alan Elif , Sevin Gulnur , Erciyas Ercin , Holzgrabe Ulrike , Alptuzun Vildan
Published: December 2022

A series of piperidine‐3‐carbohydrazide‐hydrazones bearing phenylethyl, phenylpropyl, and phenylbutyl substituents on piperidine nitrogen were designed and synthesized as cholinesterase (ChE) inhibitors. The title compounds were screened for acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) inhibitory activities and antioxidant capacities, and the active ones for Aβ42 self‐aggregation inhibition, in vitro. The chemiluminescence method was used to determine the effect of the selected compounds on the reactive oxygen species (ROS) levels in brain tissue. Physicochemical properties were calculated by the MOE program. Kinetic analysis and molecular modeling studies were also carried out for the most active compounds. Generally, the final compounds exhibited moderate to good AChE or BuChE inhibitory activity. Among them, 3g and 3j showed the most potent activity against AChE (IC50 = 4.32 µM) and BuChE (IC50 = 1.27 µM), respectively. The kinetic results showed that both compounds exhibited mixed‐type inhibition. Among the selected compounds, nitro derivatives (3g, 4g, and 5g) provided better Aβ42 inhibition. According to the chemiluminescence assay, 4i exhibited the most active superoxide free‐radical scavenger activity and 3g, 3j, and 4i showed similar scavenger activity on other ROS. All results suggested that 3g, 3j, and 4i have good AChE/BuChE, Aβ42 inhibitory potentials and antioxidant capacities and can therefore be suggested as promising multifunctional agents to combat Alzheimer's disease.
Surface and Interface Engineering for the Catalysts of Electrocatalytic CO2 Reduction
Authors: Hu Yiping , Kang Yijin
Published: December 2022

The massive use of fossil fuels releases a great amount of CO2, which substantially contributes to the global warming. For the global goal of putting CO2 emission under control, effective utilization of CO2 is particularly meaningful. Electrocatalytic CO2 reduction reaction (eCO2RR) has great potential in CO2 utilization, because it can convert CO2 into valuable carbon‐containing chemicals and feedstock using renewable electricity. The catalyst design for eCO2RR is a key challenge to achieving efficient conversion of CO2 to fuels and useful chemicals. For a typical heterogeneous catalyst, surface and interface engineering is an effective approach to enhance reaction activity. Herein, the development and research progress in CO2 catalysts with focus on surface and interface engineering are reviewed. First, the fundaments of eCO2RR is briefly discussed from the reaction mechanism to performance evaluation methods, introducing the role of the surface and interface engineering of electrocatalyst in eCO2RR. Then, several routes to optimize the surface and interface of CO2 electrocatalysts, including morphology, dopants, atomic vacancies, grain boundaries, surface modification, etc., are reviewed and representative examples are given. At the end of this review, we share our personal views in future research of eCO2RR.
Adapting to a Changing Climate: EPA's Climate Resilience Evaluation and Awareness Tool
Authors: Wiggins John Wesley , Zimmerman Klara , Baranowski Curt , Fries Steve , Horansky Alex
Published: December 2022

Key Takeaways

The US Environmental Protection Agency's (EPA's) Creating Resilient Water Utilities program has advanced water sector climate preparedness for more than a decade.

EPA's Climate Resilience Evaluation and Awareness Tool (CREAT) assists drinking water and wastewater utilities in their efforts to strengthen climate resilience.

CREAT provides access to climate model projections, libraries of utility assets, and adaptive measures that reduce risk.

The results of CREAT assessments help utilities understand the potential financial consequences of a changing climate and assess effective adaptation strategies.
Amplifying organisational discourses to the public: Media narratives of Teach For Australia, 2008–2020
Authors: Chan Stefanie Sze Wing , Thomas Matthew A. M. , Mockler Nicole
Published: December 2022

Alternative teacher education programmes have emerged in many countries as a new approach to recruiting, educating and placing teachers in underperforming schools. The media plays an important role in framing perceptions of these programmes and their teachers, including in Australia, but this has not been the subject of significant research to date. This study examines how one alternative teacher education programme—Teach For Australia (TFAus)—has been positioned and framed within the news media since its inception. It critically analyses the portrayal of TFAus and concomitant educational discourses to explore their connection to larger issues surrounding teacher education and teaching quality. Drawing on an analysis of 122 print/online media articles, we identify narratives related to prestige, benevolence and the ‘alternative’ nature of the programme, alongside a narrative critical of TFAus. Despite this critical narrative, in investigating and opening up a dialogue on the perceptions and depictions of TFAus, we posit that the programme—although controversial in nature—has generally benefited from print media coverage, advancing its reputation as a major contributor to education reform and champion of educational equity.
Mechanistic modeling of viral particle production
Authors: Canova Christopher T. , Inguva Pavan K. , Braatz Richard D.
Published: December 2022

Viral systems such as wild‐type viruses, viral vectors, and virus‐like particles are essential components of modern biotechnology and medicine. Despite their importance, the commercial‐scale production of viral systems remains highly inefficient for multiple reasons. Computational strategies are a promising avenue for improving process development, optimization, and control, but require a mathematical description of the system. This article reviews mechanistic modeling strategies for the production of viral particles, both at the cellular and bioreactor scales. In many cases, techniques and models from adjacent fields such as epidemiology and wild‐type viral infection kinetics can be adapted to construct a suitable process model. These process models can then be employed for various purposes such as in‐silico testing of novel process operating strategies and/or advanced process control.
Does maxillary sinus size affect the risk for zygomatic complex fractures?
Authors: Buller Johannes , Bömelburg Christoph , Kruse Teresa , Zirk Matthias
Published: December 2022

The purpose of the study was to measure the maxillary sinus sizes in patients with and without zygomatic bone fractures. In this cross‐sectional study computed tomography data of a case group of consecutive treated patients with displaced zygomatic bone fractures were compared to a control group with mandibular fractures. Maxillary sinus sizes were measured in width, height, depth, and volume. We compared sinus sizes between the case and control group, followed by a subgroup analysis of slightly and severely displaced fractures using T‐tests. We identified 89 cases, thereof 46 with slightly and 43 with severely displaced fractures. The control group consisted of 110 patients. The mean sinus volume of the case group (19,313 mm3 ± 5237) was significantly larger than in the control group (17,645 mm3 ± 4760; p = 0.02). Subgroup analyses revealed that this difference in volume was more pronounced between patients with severely displaced fractures (20,354 mm3 ± 5416; p = 0.003) and the control group. In two‐dimensional measures, only sinus height was significantly greater in the case group (37.41 mm ± 4.25 vs. 35.33 mm ± 4.88; p = 0.002). The same holds for the subgroup with severely displaced fractures (38.27 mm ± 3.91; p = 0.001). Sinus width and depth showed no significant differences between the groups. A maxillary sinus volume larger than 20,000 mm3 is a predictive risk factor for a displaced zygomatic bone fracture. Greater sinus height indicates a larger surface area of the zygomaticomaxillary buttress that decreases the resistance to facial trauma.
Design, Synthesis, Calculation and Biological Activity Studies Based on Privileged Coumarin Derivatives as Multifunctional Anti‐AD Lead Compound
Authors: Wang Huiyan , Su Mengyang , Shi Xuli , Li Xiangyu , Zhang Xinyu , Yang Aihong , Shen Rui
Published: December 2022

Coumarins and their derivatives possessed a variety of biological activities and some of coumarin‐based drugs have been approved by the US Food and Drug Administration. Alzheimer's disease (AD) has caused great losses to human society. However, due to its complex pathogenesis, the ideal therapeutic approach has not been found yet. Free radical scavenging activity which is one of the main activities of coumarin core structure is closely related to other anti‐AD activities. Therefore, in this work coumarins were chosen as privileged lead compounds for the development of anti‐AD drugs based on strategy of multi‐target directed ligands (MTDLs). Derivatives 1–3 which could modulate multiple targets simultaneously, including ROS, cholinesterase, βamyloid (Aβ) aggregation, and metal dyshomeostasis were designed and for the first time synthesized. Their anti‐AD activities were studied both in vitro and in silico. Results showed that 1–3 possessed potent antioxidant activities and 7‐OH group did change the electron distribution of the molecule and enhance the antioxidant activities. They also have good inhibition activities on acetylcholinesterase (AChE) and Aβ aggregation and compound 1 had the strongest AChE inhibitory effect among the three compounds (AChE IC50=11.15 μM). Compound 1–3 could also selectively chelate with Cu2+ and Al3+ to regulate the metal homeostasis. In silico simulations, including molecular docking and prediction of ADMET performance, indicated that 1–3 could interact with target proteins and cross the blood brain barrier. In conclusion, 1–3 could be promising MTDLs applied as anti‐AD candidate drugs.
Cardiac amyloidosis—An underdiagnosed cause of heart failure: A case report and review of literature
Authors: Parmar Kanak , Benjanuwattra Juthipong , Sethi Pooja , Tijani Lukman , Hurst Philip , Pertuz Gaspar Del‐Rio , Argueta‐Sosa Erwin
Published: December 2022

Restrictive cardiomyopathy secondary to cardiac amyloidosis is an underdiagnosed, but treatable, cause of heart failure involving an extracellular deposition of misfolded protein. Hereby, we report a case of a female patient with history of nephrotic syndrome for 1 year who subsequently presented with symptoms of heart failure. The findings on cardiac imaging supported the suspicion of cardiac amyloidosis. Further laboratory workup for amyloidosis was pursued along with endomyocardial biopsy which confirmed amyloidosis‐AL type. Patient was started on chemotherapy. The case underscores the importance of a timely diagnosis with the help of symptomatology and imaging along with a multidisciplinary approach for patient care.
Diagnosis of tuberous sclerosis complex in adulthood: A case report
Authors: Cruz‐Zuniga Rubén D. , Alas‐Pineda César , Pineda‐Vijil Héctor O. , Gaitán‐Zambrano Kristhel , Flores‐Reyes Diana L. , Pineda‐Villeda Reenie H. , Quiñonez‐Sánchez Marco A.
Published: December 2022

Tuberous sclerosis complex (TSC) is an autosomal dominant genetic disorder. TSC consists of a wide variety of clinical manifestations, with neurological and dermatological symptoms being the most frequent. This study aims to describe the clinical characteristics and management of a pregnant patient incidentally diagnosed with TSC.
Hypertonic saline versus fluid restriction: The pitfalls in managing acute hyponatremia in a patient with long‐standing spinal cord injury
Authors: Koutroukas Vaios , Pavlou Panagiotis , Smith Emilia Imogen , Ciutac Andra Maria , Redford Christopher , Smith Jamie C.
Published: December 2022

Spinal cord injury‐induced hyponatremia is an under‐recognized entity, without a mention in the European hyponatremia guidelines. We present a case of a 56‐year‐old female quadraplegic patient with cervical cord injury, presenting with severe hyponatremia and tonic–clonic seizures. This case highlights the challenges in medical management; action mechanisms are further discussed.
Tracheal inflammatory myofibroblastic tumor presenting as an obstructive pediatric foreign body
Authors: Liu Alice Q. , Kotadia Naima , Tobia Amjad , Rayment Jonathan H. , Whyte Simon , Felton Mark
Published: December 2022

We describe an unusual presentation of a suspected pediatric foreign body (FB) aspiration which was found to be an occlusive inflammatory myofibroblastic tumor (IMT) of the distal trachea. These are rarely reported entities, with the potential for significant airway bleeds. Multidisciplinary discussion and involvement allowed for a safe patient outcome.
A case of accidental local pulmonary 99mTc‐MDP uptake on bone SPECT/CT
Authors: Chen Yao , Ning Yu , Liu Xiaoji , Cai Min , Li Sijin
Published: December 2022

We report a case of accidental local 99mTc‐MDP uptake in left lung on bone scan without pulmonary parenchymal abnormality on SPECT/CT. The abnormal uptake disappeared on repeated bone scan and SPECT/CT after 3 days. It is speculated that the high radioactivity focus is a microthrombus in pulmonary artery.
Technique innovation of endoscopic ultrasound portal pressure gradient measurement using standard manometer set for portal hypertension assessment
Authors: Lesmana Cosmas Rinaldi Adithya
Published: December 2022

Portal hypertension (PH) is still a major challenge to be managed in clinical practice. However, hepatic vein pressure gradient (HVPG) measurement is not always reliable for portal hypertension (PH) diagnosis. This study showed the impact of endoscopic ultrasound (EUS) as a promising tool for diagnosis and management PH condition.
2D/2D Transition‐Metal‐Sulfide Self‐Assembly Enables a Huge Tolerance to High Concentration Cr(VI) and a Prominent Photocatalytic Reduction Performance
Authors: Zhang Qian , Shao Jingze , Geng Zhibin , Liu Chang , Li Liping , Li Guangshe
Published: December 2022

Two‐dimensional (2D) transition‐metal‐sulfides always suffer from poor optical absorption ability, serious photogenerated carrier recombination, and lack of tolerance to high concentration Cr(VI), which limit their wide applications. Herein, 2D MoS2 nanosheets are in situ grown on 2D 5 % Cu‐doped ZnIn2S4 nanosheets to fabricate self‐assembly via a two‐step solvothermal method. The incorporation of Cu broadens the optical response range of self‐assembly and introduces an acceptor trap level that changes the valence band allocation of ZnIn2S4 nanocrystals, which improves the separation and migration of photogenerated electron‐hole pairs. As a result, complete photoreduction of Cr(VI) is surprisingly achieved for 2D/2D self‐assembly MoS2/Cu−ZnIn2S4 in 4 min under visible light irradiation (λ≥400 nm) without sacrificing any agents. Moreover, this self‐assembly is further indicated to have a strikingly huge tolerance to high concentration Cr(VI) (250 mg ⋅ L−1), and the photoreduction activity of Cr(VI) is almost not disturbed by high concentration inorganic ions in wastewater. All these merits demonstrate that 2D/2D transition‐metal‐sulfide self‐assembly may find many practical applications in water cleaning and environmental remediation.
Benzothioxanthene Dicarboximide as a Tuneable Electrogenerated Chemiluminescence Dye
Authors: Dauphin Alice L. , Andrés Castán José María , Yu Jing , Blanchard Philippe , Sojic Neso , Ahn Hyun S. , Walker Bright , Cabanetos Clément , Bouffier Laurent
Published: December 2022

Invited for this issue's Front Cover are Dr. Laurent Bouffier and Prof. Neso Sojic of the Institute of Molecular Sciences (ISM, Bordeaux) in collaboration with Dr. Clément Cabanetos (MOLTECH‐Anjou & 2BFUEL, Seoul). The cover picture shows the colour‐tuneable electrogenerated chemiluminescence collected from benzothioxanthene dicarboximide dyes. Read the full text of the Research Article at 10.1002/celc.202200967.
Development of Low‐Molecular‐Weight Organogelators from Cyclic β‐Amino Acid: Effect of Stereochemistry and their Application on Visual Chiral Recognition of Amines
Authors: Kodama Koichi , Obata Masato , Sugimura Sho , Yuhara Hiroki , Hirose Takuji
Published: December 2022

This study reports the formation of low‐molecular‐weight gelators based on carboxylic acids derived from chiral cyclicβ‐amino acids. The effect of their stereochemistry on the gelation of organic solvents was investigated, and their assemblies with the intermolecular interactions in the xerogels were proposed via infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, and crystallographic details of the related model compounds. The effect of the alkyl chain length on the gelators was studied, and they were applied to the chiral recognition of amines. Only one diastereomeric salt with amines afforded gels, whereas the others resulted in precipitates. Chiral recognition was also achieved in the gel state, and the appearance of the as‐prepared gel changed upon the addition of each amine enantiomer, thus enabling the visual detection of their chirality.
Structures and Supramolecular Properties of Inclusion Complexes of Anthracene‐Triptycene Nanocages with Fullerene Guests and Their Dynamic Motion as Molecular Gyroscopes
Authors: Mitani Takuji , Tsurumaki Eiji , Toyota Shinji
Published: December 2022

Three derivatives of macrocyclic cage compounds consisting of diarylanthracene and triptycene units were synthesized. These nanocages formed host‐guest complexes with C60 and other fullerene guests as confirmed by 1H NMR and fluorescence spectroscopy. The association constant of the mesityl and 2,4,6‐tributoxyphenyl derivatives with C60 was determined to be 2.2 × 104 L mol−1, which was larger than that of the pentafluorophenyl derivative. Direct experimental evidence of the complexation was obtained by X‐ray diffraction analysis: the guest C60 molecule was included in the cavity via multipoint CH⋅⋅⋅π interactions. Dynamic disorders of the included C60 molecule in variable‐temperature X‐ray analysis indicated uniaxial motion, such as gyroscopic motion. The unique dynamic behavior of the spherical C60 rotor anchored by the cage stator via CH⋅⋅⋅π interactions in the crystal, as well as substituent effects on the association properties, are discussed with the aid of DFT calculations.
Studies on the effect of solvent for the synthesis of low‐cost and efficient Pt‐Co/CAB cathode electrocatalyst to enhance the performance of a hydrogen‐based PEMFC
Authors: Singh Abhay Pratap , Sharma Sweta , Pramanik Hiralal
Published: December 2022

Highly efficient and low‐cost Pt‐Co/CAB bimetallic cathode electrocatalysts were synthesized for hydrogen‐based proton exchange membrane fuel cell (PEMFC) using three different types of solvent, namely, dimethyl sulphoxide (DMSO), dimethylformamide (DMF), and ethylene glycol (EG). The physical characterization of synthesized cathode electrocatalysts Pt‐Co/CAB‐DMSO, Pt‐Co/CAB‐DMF and Pt‐Co/CAB‐EG was performed by scanning electron microscope–energy‐dispersive X‐ray (SEM–EDX), X‐ray diffraction (XRD), and transmission electron microscopy (TEM) techniques, whereas the electrochemical investigation of all three Pt‐Co/CAB electrocatalysts was performed by CV and EIS studies. The synthesized Pt‐Co/C‐EG electrocatalyst produced the highest power density of 19.61 mW/cm2 at a room temperature of 33°C. The power density increased to 26.11 mW/cm2, that is, 133%, when the cell operating temperature was raised from 33 to 70°C. The excellent performance of the Pt‐Co/CAB‐EG cathode electrode proves that it can be recommended as a commercial electrocatalyst for PEMFC cathode. In addition, the EG/EG was identified as the best solvent for the synthesis of Pt‐Co/CAB cathode electrocatalysts.
Click Chemistry Protocol for 3D Bioprintable Elastin−Hyaluronic Acid Hydrogels
Authors: Cadamuro Francesca , Sampaolesi Susanna , Bertolini Giulia , Roz Luca , Nicotra Francesco , Russo Laura
Published: December 2022

The generation of 3D‐bioprintable and biocompatible hydrogels based on elastin and hyaluronic acid is described. The procedure is based on a biocompatible click reaction between maleimide and thiol for the final crosslinking, employable with living cells due to fast kinetics and absence of side products. To this end, both α‐elastin and hyaluronic acid were functionalized with linkers ending with maleimide groups, at controlled functionalization intensities, and crosslinked with a dithiol−PEG linker. Varying the equivalents of the three reagents, four different hydrogels were obtained and their biocompatibility, swelling capacity and printability were tested. Biological experiments were performed with human lung fibroblast, human bronchial epithelial and human endothelial cell lines cultured in the hydrogels. Fibroblasts and epithelial cells can survive and proliferate. Epithelial cells showed an increased expression of CD44 and integrin αvβ3. Gene expression analysis revealed up‐regulation of metalloproteinases both in normal fibroblast and epithelial cells.
A hybrid intelligently initialized particle swarm optimizer with weight factored binary gray wolf optimizer for mitigation of security issues in Internet of Things and sensor nodes
Authors: Agrawal Akhileshwar Prasad , Singh Nanhay
Published: December 2022

With expanding nature of Internet of Things (IoT) based solutions in various application areas, the threat of cyber attacks is looming large. Often for resource constrained IoT nodes, implementation of machine learning based intrusion detection system is not practical, as the feature set to be processed is large in size. In this article, random forest based intelligently initialized hybrid binary particle swarm optimizer (PSO)‐gray wolf optimizer (GWO) is proposed to reduce the dimensions of dataset. The proposed algorithm exploits the concept of relative weights of the leader wolves of GWO to update the positions of particles in PSO. A novel fitness function is also introduced, that includes the key performance metrics for measuring the classification efficiency. Also, a new performance metric is proposed here for commensurate comparison with other related works, which renders the task of comparison effective. For experimental evaluation, the historical dataset NSL‐KDD and the more contemporary DS2OS dataset are both taken into consideration. The proposed work attains accuracy up to 99.61% for NSL‐KDD dataset and 99.79% for DS2OS dataset. The outcomes are better than majority of algorithms and recent related works. Most notably, for increasing the accuracy, the number of features are not compromised and are even reduced to 8 and 5 features, respectively, for NSL‐KDD and DS2OS.
Cycle‐consistentgenerative adversarial network optimized with water strider optimization algorithm fostered intrusion detection framework for securing cloud computing environment
Authors: Preethi BC , Sugitha G , Kavitha G
Published: December 2022

Cloud computing is the delivery of computing services including servers, storage, databases, networking, software, analytics, and intelligence over the internet (“the cloud”) to offer faster innovation, flexible resources, and economies of scale. In this article, cycle‐consistent generative adversarial network (CCGAN) optimized with water strider optimization (WSO) algorithm fostered intrusion detection system (IDS) is proposed to secure the cloud computing (CC) environment (IDS‐CC‐CCGAN‐WSOA). Initially, the input data's are gathered via NSL‐KDD benchmark dataset. Then it is given to preprocessing. During preprocessing, it debugs the redundancy and missing value is restored using local least squares. Then, the preprocessed output is fed to the feature selection level. The optimum features are compiled utilizing correlation feature selection approach. This optimum features based, the data's are categorized as normal and anomalous data. The weights of this network are optimized by water strider optimization to attain effectual and optimum solution for recognizing the intruders. The proposed approach is executed in MATLAB. The performance metrics is examined to validate the performance of the proposed approach. Finally, the proposed approach attains 13.9367%, 13.268%, and 13.739% higher accuracy analyzed to the existing approaches, such as IDS‐CC‐DBN‐CSSA, IDS‐CC‐DNN‐IGASAA, and IDS‐CC‐MLPNN‐ABC.
Hydrogen‐Bonded Organic Frameworks: Structural Design and Emerging Applications
Authors: Ding Xiaojun , Xie Yi , Gao Qiang , Luo Yilin , Chen Jing , Ye Gang
Published: December 2022

Constructing well‐organized organic frameworks with tailor‐made functionalities potentially boost multi‐domain applications. Hydrogen bonding (H‐bonding) is a category of general and weak intermolecular interactions when compared with covalent bonding or metal‐ligand coordination. Porous frameworks mainly assembled by H‐bonding (named hydrogen‐bonded organic frameworks, HOFs) are intrinsically capable of decomposing and regenerating, a distinctive advantage to improve their processability while expanding the applicability. This paper summarizes the basic building concepts of HOFs, including feasible hydrogen bonded motifs, effective molecular structures, and their emerging applications.
Elucidating the Mechanism of Simultaneous Activation of CH4 and CO2 Mediated by Single Group 10 Metal Anions in Gas Phase
Authors: Ying Fei , Wang Linhao , Zhao Chongyang , Xie Jing
Published: December 2022

Quantum chemistry calculations predict that besides the reported single metal anion Pt−, Ni− can also mediate the co‐conversion of CO2 and CH4 to form [CH3−M(CO2)−H]– complex, followed by transformation to C−C coupling product [H3CCOO−M−H]− (A), hydrogenation products [H3C−M−OCOH]− (B) and [H3C−M−COOH]−. For Pd−, a fourth product channel leading to PdCO2−…CH4 becomes more competitive. For Ni−, the feed order must be CO2 first, as the weaker donor‐acceptor interaction between Ni− and CH4 increases the C−H activation barrier, which is reduced by [Ni−CO2]−. For Ni−/Pt−, the highly exothermic products A and B are similarly stable with submerged barrier that favors B. The smaller barrier difference between A and B for Ni− suggests the C−C coupling product is more competitive in the presence of Ni− than Pt−. The charge redistribution from M− is the driving force for product B channel. This study adds our understanding of single atomic anions to activate CH4 and CO2 simultaneously.
Synthetic data generation using generative adversarial network for tokamak plasma current quench experiments
Authors: Dave Bhrugu , Patel Sarthak , Shivani Rishi , Purohit Shishir , Chaudhury Bhaskar
Published: December 2022

Deep learning models for identification and subsequent mitigation of tokamak plasma disruption have recently shown great promise for reliable predictions for machines other than the one on which it has been trained. The performance of such artificial intelligence (AI)/machine learning (ML) models strongly depends on the training data. Considering the sparse availability of universal high quality data underscores the requirement for synthetic data for the training of the AI/ML models. Synthetic data generation methods reported in the current literature have limitations in terms of quantity, diversity and preserving the temporal dynamics of the experimental seed data (SD). The article presents generative adversarial networks based procedure capable enough to generate unlimited device‐independent temporal evolution of tokamak plasma current. The synthetic data improves with the employment of the classified SD while retaining the characteristics of the original data. The procedure offers a substantial volume of synthetic data with a very impressive diversity, thereby ensuring the requirements for successful AI/ML model training.
Resisting whiteness: Anti‐racist leadership and professional learning in majority white senior leadership teams in English schools
Authors: Stewart‐Hall Claire , Rabiger Penny , Lander Vini , Grant Viv
Published: December 2022

Many Senior Leadership Teams (SLTs) are engaging in professional development to nurture explicitly anti‐racist practice. Teachers' knowledge gaps about racism, its traumatic, lasting impact and how racism is generated through schooling persist within a cloak of silence. This small‐scale study explores interview data from senior leaders in English schools, questioning legacies of colour‐evasion and breaking silences to understand the role ‘race’ plays in their schools, appearing exigent due to Black Lives Matter (BLM) movements and the inescapable reality of racism seen in George Floyd's horrific murder. Using Critical Race Theory (CRT) and Critical Whiteness Studies (CWS) as theoretical tools, we explore negotiations and challenges of leading anti‐racist work in systems favouring whiteness as the norm. Findings show senior leaders undertaking the Anti‐Racist School Award (ARSA) and/or Race, Identity and School Leadership (RISL) programme are novice ‘race’ practitioners, despite their seniority, wrestling to recognise whiteness and to connect their own ‘race’(d) identities to role‐enactment and policy. They must negotiate and make the case for anti‐racist leadership to colleagues trained not to notice, and mitigate wider external systems operationalising whiteness, blocking the development of anti‐racist practice. We examine resistances to anti‐racist work in English school systems that (re)centre whiteness.
Multitargeted C9‐substituted ester and ether derivatives of berberrubine for Alzheimer's disease: Design, synthesis, biological evaluation, metabolic stability, and pharmacokinetics
Authors: Raghuvanshi Rinky , Jamwal Ashiya , Nandi Utpal , Bharate Sandip B.
Published: December 2022

Berberrubine is a naturally occurring isoquinoline alkaloid and a bioactive metabolite of berberine. Berberine exhibits a wide range of pharmacological activities, including cholinesterase inhibition. The cholinesterase inhibitors provide symptomatic treatment for Alzheimer's disease; however, multitarget‐directed ligands have the potential as disease‐modifying therapeutics. Herein, we prepared a series of C9‐substituted berberrubine derivatives intending to discover dual cholinesterase and beta‐site amyloid‐precursor protein cleaving enzyme 1 (BACE‐1) inhibitors. Most synthesized derivatives possessed balanced dual inhibition (AChE and BChE) activity in the submicromolar range and a moderate inhibition against BACE‐1. Two most active ester derivatives, 12a and 11d, display inhibition of AChE, BChE, and BACE‐1. The 3‐methoxybenzoyl ester derivative, 12a, inhibits electric eel acetylcholinesterase (EeAChE), equine serum butyrylcholinesterase (eqBChE), and human hBACE‐1 with IC50 values of 0.5, 4.3, and 11.9 μM, respectively and excellent BBB permeability (Pe = 8 × 10−6 cm/s). The ester derivative 12a is metabolically unstable; however, its ether analog 13 is stable in HLM and exhibits inhibition of AChE, BChE, and BACE‐1 with IC50 values of 0.44, 3.8, and 17.9 μM, respectively. The ether analog also inhibits self‐aggregation of Aβ and crosses BBB (Pe = 7.3 × 10−6 cm/s). Administration of 13 at 5 mg/kg (iv) in Wistar rats showed excellent plasma exposure with AUC0−∞ of 28,834 ng min/ml. In conclusion, the multitargeted berberrubine ether derivative 13 is CNS permeable and has good ADME properties.
EcoEvoApps: Interactive apps for theoretical models in ecology and evolutionary biology
Authors: McGuire Rosa M. , Hayashi Kenji T. , Yan Xinyi , Caritá Vaz Marcel , Cinoğlu Damla , Cowen Madeline C. , Martínez‐Blancas Alejandra , Sullivan Lauren L. , Vazquez‐Morales Sheila , Kandlikar Gaurav S.
Published: December 2022

The integration of theory and data drives progress in science, but a persistent barrier to such integration in ecology and evolutionary biology is that theory is often developed and expressed in the form of mathematical models that can feel daunting and inaccessible for students and empiricists with variable quantitative training and attitudes towards math. A promising way to make mathematical models more approachable is to embed them into interactive tools with which one can visually evaluate model structures and directly explore model outcomes through simulation. To promote such interactive learning of quantitative models, we developed EcoEvoApps, a collection of free, open‐source, and multilingual R/Shiny apps that include model overviews, interactive model simulations, and code to implement these models directly in R. The package currently focuses on canonical models of population dynamics, species interactions, and landscape ecology. These apps help illustrate fundamental results from theoretical ecology and can serve as valuable teaching tools in classroom settings. We present data from student surveys which show that students rate these apps as useful learning tools, and that using interactive apps leads to substantial gains in students' interest and confidence in working with mathematical models. This points to the potential for interactive activities to make theoretical models more accessible to a wider audience, and thus facilitate the feedback between theory and data across ecology and evolutionary biology.
Response of rove‐beetle (Staphylinidae) assemblages to the cumulative effect of wildfire and linear footprint in boreal treed peatlands
Authors: Wu Linhao , Pinzon Jaime
Published: December 2022

Cumulative effects of anthropogenic and natural disturbances have become increasingly relevant in the context of biodiversity conservation. Oil and gas (OG) exploration and extraction activities have created thousands of kilometers of linear footprints in boreal ecosystems of Alberta, Canada. Among these disturbances, seismic lines (narrow corridors cut through the forest) are one of the most common footprints and have become a significant landscape feature influencing the maintenance of forest interior habitats and biodiversity. Wildfire is a common stand‐replacing natural disturbance in the boreal forest, and as such, it is hypothesized that its effects can mitigate the linear footprint associated with OG exploration, but only a few studies have examined its effectiveness. We studied the short‐term (1 year post‐fire) response of rove‐beetle assemblages to the combined effects of wildfire and linear footprint in forest, edge, and seismic line habitats at burned and unburned peatlands along the southwest perimeter of the 2016 Horse River wildfire (Fort McMurray). While rove‐beetle species richness was higher in seismic lines in both the burned and unburned habitats compared with the adjacent peatland, diversity was greater only in seismic lines of burned areas. Abundance was lower in the burned adjacent peatland but similarly higher in the remaining habitats. Assemblage composition on seismic lines was significantly different from that in the adjacent forest and edge habitats within both burned and unburned sites. Moreover, species composition in burned seismic lines was different from either unburned lines or burned forest and edge. Euaesthethus laeviusculus and Gabrius picipennis were indicator species of burned line habitats, are sensitive to post‐fire landscapes and can occupy wet habitats with moss cover more efficiently than when these habitats are surrounded by unburned forest. Although these results are based on short‐term responses, they suggest that wildfire did not reduce the linear footprint, and instead, the cumulative effect of these two disturbances had a more complex influence on rove‐beetle recovery at the landscape level than for other invertebrates. Therefore, continued monitoring of these sites can become useful to evaluate changes over time and to better understand longer‐term biodiversity responses to the cumulative effects of wildfire and linear disturbances in boreal treed peatlands, given the long‐lasting effect of such disturbances.
Species delineation and genetic structure of two Chaerephon species (C. pusillus and C. leucogaster) on Madagascar and the Comoro archipelago
Authors: Tidière Morgane , Portanier Elodie , Jacquet Stéphanie , Goodman Steven M. , Monnier Gildas , Beuneux Gregory , Desmet Jean‐François , Kaerle Cécile , Queney Guillaume , Barataud Michel , Pontier Dominique
Published: December 2022

Cryptic species diversity is known to be common in bats but remains challenging to study in these mammals, whose natural history traits render their sampling and monitoring challenging. For these animals, indirect genetic approaches provide a powerful tool to gain insight into the evolutionary history and ecology of cryptic bat species. The speciation history of the polyphyletic Chaerephon pumilus species group (Molossidae) is poorly understood, including those found on western Indian Ocean islands. Two species in this complex have been identified in the Comoros: C. pusillus and C. leucogaster. Here, we aim to genetically characterize these two species and investigate their spatial population genetic structure. Analyzing five nuclear microsatellite markers from 200 individuals and one mitochondrial DNA gene (Cyt‐b) from 161 (out of the 200) individuals sampled on Madagascar and the Comoros, our findings indicated that these species are genetically differentiated. We observed mitonuclear discordance in numerous individuals (33% of the 161 mtDNA‐sequenced individuals). Based on ABC analyses, we found that this pattern could potentially be the result of asymmetric introgressive hybridization from C. leucogaster to C. pusillus and calls for further studies on the demographic history of these species. Moreover, at the intra‐specific level, analyses of the microsatellite loci suggested the evidence of a more pronounced, although weak, geographically based genetic structure in C. pusillus than in C. leucogaster. Altogether, our findings provide preliminary insights into the eco‐evolutionary aspects of this species complex and warrant further research to understand hybridization dynamics and mechanisms responsible for mitonuclear discordance.
Biogeochemical niche conservatism relates to plant species diversification and life form evolution in a subtropical montane evergreen broad‐leaved forest
Authors: Bai Kundong , Zhou Xuewen , Lv Shihong , Wei Shiguang , Deng Lili , Tan Yibo
Published: December 2022

The evolutionary mechanisms underlying the biogeochemical niche conservatism in forests remain incompletely understood. Here we aimed to determine how the strengths of biogeochemical niche conservatism vary among elements and between life forms. We measured leaf concentrations of basal elements (C, N, P, K, Ca, and Mg) in a wide range of life forms in a subtropical montane evergreen broad‐leaved forest. We found that differences in life forms such as evergreen/deciduous woody species and herbaceous/woody species significantly affected leaf elemental composition. The significant phylogenetic signal was present in leaf C, N, K, and Mg concentrations but absent in leaf P and Ca concentrations in all species. These contrasting strengths of biogeochemical niche conservatism were best generated by Ornstein–Uhlenbeck processes toward optima. Woody species were evolutionarily selected to show lower optimal leaf N, P, and K concentrations and higher optimal leaf C, Ca, and Mg concentrations than herbaceous species. The number of optima varied from the least in leaf C concentration to the most in leaf Ca concentration, suggesting the stronger convergent evolution of leaf Ca concentration. The positions of optima toward the tips were more selected in woody species, suggesting the more frequency of species‐specific adaptations in woody species. The positions of optima were also selected at the nodes towards the species groupings from certain life forms (e.g., the group of 12 Polypodiales ferns in leaf Ca evolution and the group of three evergreen Theaceae species in leaf P evolution) that were converged to present similar leaf elemental composition. During the evolution of biogeochemical niche, strong correlations were found among leaf C, N, P, and K concentrations and between leaf Ca and Mg concentrations. In conclusion, the strengths of biogeochemical niche conservatism can vary among elements and between life forms due to the different tempo and mode of Ornstein–Uhlenbeck processes.
One‐year safety and efficacy results of insulin treatment simplification with IDegLira in type 2 diabetes
Authors: Taybani Zoltán J. , Bótyik Balázs , Gyimesi András , Katkó Mónika , Várkonyi Tamás
Published: December 2022

Introduction

This study aimed to investigate the sustained safety and efficacy of insulin treatment simplification with IDegLira in patients with type 2 diabetes and an HbA1c ≤ 7.5% (58 mmol/mol) during a 12‐month follow‐up.

Methods

Seventy‐two adults with type 2 diabetes and an HbA1c ≤ 7.5% (58 mmol/mol) treated with multiple daily insulin injections (MDI) participated in the trial (age 63.8 ± 9.5 years, HbA1c 6.4 ± 0.7%, [46 ± 8 mmol/mol] body weight 92.95 ± 18.83 kg, total daily insulin dose: 43.21 ± 10.80 units; mean ± SD). Previous insulins were stopped, and once daily IDegLira was started. IDegLira was titrated by the patients to achieve a self‐measured prebreakfast plasma glucose concentration of ≥5 mmol/L to ≤6 mmol/L.

Results

After 12 months, good glycaemic control was maintained, while body weight decreased significantly. Mean HbA1c changed to 6.2 ± 0.8% (44 ± 9 mmol/mol) (p = .109) and body weight changed by −3.89 kg to 89.06 ± 18.61 kg (p < .0001). The simplified treatment was safe and well‐tolerated. Percentage of patients experiencing at least one episode of hypoglycaemia was 49% during the month before simplification and 17% during the last 3 months of the follow‐up.

Conclusions

Insulin treatment simplification with IDegLira in selected patients with type 2 diabetes is safe, maintains adequate glycaemic control and is associated with weight loss over 12 months.
Optimizing exercise testing‐based risk stratification to predict poor prognosis after acute heart failure
Authors: Chen Shyh‐Ming , Wu Po‐Jui , Wang Lin‐Yi , Wei Chin‐Ling , Cheng Cheng‐I , Fang Hsiu‐Yu , Fang Yen‐Nan , Chen Yung‐Lung , Huang David Kwan‐Ru , Lee Fan‐Yen , Chen Mien‐Cheng
Published: December 2022

Aims

The timely selection of severe heart failure (HF) patients for cardiac transplantation and advanced HF therapy is challenging. Peak oxygen consumption (VO2) values obtained by the cardiopulmonary exercise testing are used to determine the transplant recipient list. This study reassessed the prognostic predictability of peak VO2 and compared it with the Heart Failure Survival Score (HFSS) in the modern optimized guideline‐directed medical therapy (GDMT) era.

Methods and results

We retrospectively selected 377 acute HF patients discharged from the hospital. The primary outcome was a composite of all‐cause mortality, or urgent cardiac transplantation. We divided these patients into the more GDMT (two or more types of GDMT) and less GDMT groups (fewer than two types of GDMT) and compared the performance of their peak VO2 and HFSS in predicting primary outcomes. The median follow‐up period was 3.3 years. The primary outcome occurred in 57 participants. Peak VO2 outperformed HFSS when predicting 1 year (0.81 vs. 0.61; P = 0.017) and 2 year (0.78 vs. 0.58; P < 0.001) major outcomes. The cutoff peak VO2 for predicting a 20% risk of a major outcome within 2 years was 10.2 (11.8–7.0) for the total cohort. Multivariate Cox regression analyses showed that peak VO2, sodium, previous implantable cardioverter defibrillator (ICD) implantation, and estimated glomerular filtration rate were significant predictors of major outcomes.

Conclusions

Optimizing the cutoff value of peak VO2 is required in the current GDMT era for advanced HF therapy. Other clinical factors such as ICD use, hyponatraemia, and chronic kidney disease could also be used to predict poor prognosis. The improvement of resource allocation and patient outcomes could be achieved by careful selection of appropriate patients for advanced HF therapies, such as cardiac transplantation.
Conformational Effects of Regioisomeric Substitution on the Catalytic Activity of Copper/Calix[8]arene C−S Coupling
Authors: Berlanga‐Vázquez Armando , Talmazan Radu A. , Reyes‐Mata Carlos A. , Percástegui Edmundo G. , Flores‐Alamo Marcos , Podewitz Maren , Castillo Ivan
Published: December 2022

Functionalization of the phenolic rim of p‐tert‐butylcalix[8]arene with phenanthroline to create a cavity leads to formation of two regioisomers. Substitution of positions 1 and 5 produces the known C2v‐symmetric regioisomer 1,5‐(2,9‐dimethyl‐1,10‐phenanthroyl)‐p‐tert‐butylcalix[8]arene (L1,5), while substitution of positions 1 and 4 produces the Cs‐symmetric regioisomer 1,4‐(2,9‐dimethyl‐1,10‐phenanthroyl)‐p‐tert‐butylcalix[8]arene (L1,4) described herein. [Cu(L1,4)I] was synthesized from L1,4 and CuI in good yield and characterized spectroscopically. To evaluate the effect of its cavity on catalysis, Ullmann‐type C−S coupling was chosen as proof‐of‐concept. Selected aryl halides were used, and the results compared with the previously reported Cu(I)/L1,5 system. Only highly activated aryl halides generate the C−S coupling product in moderate yields with the Cu(I)/L1,4 system. To shed light on these observations, detailed computational investigations were carried out, revealing the influence of the calix[8]arene macrocyclic morphology on the accessible conformations. The L1,4 regioisomer undergoes a deformation that does not occur with L1,5, resulting in an exposed catalytic center, presumably the cause of the low activity of the former system. The 1,4‐connectivity was confirmed in the solid‐state structure of the byproduct [Cu(L1,4−H)(CH3CN)2] that features Cu(I) coordinated inside a cleft defined by the macrocyclic framework.
Influence of Electrode Corrugation after Calendering on the Geometry of Single Electrode Sheets in Battery Cell Production
Authors: Mayer Dominik , Schwab Bastian , Fleischer Jürgen
Published: December 2022

Calendering is an essential process step in battery cell production. By selective compaction of the material, the performance of the battery cell can be optimized. During processing, corrugations can occur in the machine direction, which are characterized in this article in relation to the material systems LiNi0.8Mn0.1Co0.1O2 (NMC811) and LiNi0.6Mn0.2Co0.2O2 (NMC622) as well as the rate of compaction and the web tension. It is shown that the corrugations are strongly dependent on the rate of compaction. The material system and the web tension show a weaker influence on the corrugation characteristics. Subsequently, single electrode sheets are cut from the coils and their geometry is investigated. It is shown that the corrugation hardly propagates further into the single electrodes, which is explained with the storage time of the electrodes. Rather, the coil bending strongly influences the electrode sheet geometry. It is shown that the position of the conductor tab also has an important influence.