bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Benzothiazole Linked Triazole Conjugates and Their Evaluation Against Cholinesterase Enzymes
Authors: Mishra Deepak , Fatima Atiya , Kumar Prashant , Munjal Nupur S , Singh Brajendra K , Singh Ram 
Published: December 2022

AbstractIn this paper we report the synthesis, in‐silico and in‐vitro evaluations of a new series of benzothiazole linked triazole conjugates. The synthesized compounds have been evaluated as the inhibitor of cholinesterase enzymes using Ellman's method. The benzothiazole and triazole derivatives were synthesized separately and further combined through covalent amide bond linkage.The compounds showed good to excellent results towards butyryl cholinesterase (BuChE) inhibition. Docking studies revealed that the hydrophobic aromatic part of N‐benzothiazole binds to the PAS and the 1,2,4‐triazole residue binds to the CAS of BuChE. The in‐silico docking results for BuChE are consistent with the in‐vitro results. Also, the molecular dynamics simulation studies of the best docked molecule 8 a had shown similar binding stability as the reference drug donepezil. Good molecular interaction was also observed for acetylcholinesterase (AChE). The molecular modelling and evaluations against cholinesterase enzyme provided novel lead molecule which with further modifications in their structure have potential for the treatment of Alzheimer disease (AD) in future.
Synthesis of Hierarchical ZSM‐5 Submicron Spheres for Catalytic Cracking
Authors: Mao Di , Hou Ming , Liu Junyan , Yin Chengyang 
Published: December 2022

AbstractA kind of hierarchical ZSM‐5 submicron sphere composed of zeolite nanocrystals was one‐pot synthesized with polydiene dimethyl ammonium chloride as template. X‐ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images show that the hierarchical ZSM‐5 submicron spheres have good crystallinity. N2 adsorption‐desorption isotherm and transmission electron microscopy (TEM) images indicate that the hierarchical ZSM‐5 submicron spheres have both micropores and mesopores. The results show that the hierarchical ZSM‐5 submicron spheres are formed by stacking nanocrystals, exhibits high crystallinity, microporous, mesoporous structures and higher catalytic activity in the catalytic cracking of 1, 3, 5‐triisopropylbenzene.
Multifunctionalized Metal Chalcogenides and Their Roles in Catalysis and Biomedical Applications
Authors: Senthamil Chennappan , Hemalatha Jayachandran , Nandhabala Sundaramoorthi , Nivetha Ambikapathi , Sakthivel Chandrasekar , Prabha Inbaraj 
Published: December 2022

AbstractChalcogenides are more frequently used to refer sulfides, selenides, tellurides and polonides rather than oxides and all the elements in group 16 of the periodic table are chalcogens. The synthesis of transition metal chalcogenides (TMCs) and their composites involved a wide range of techniques like one pot heat up, hydrothermal, solvothermal, precipitation, co‐precipitation and biological procedures. In light of the possibility of photo‐induced charge‐transfer events leading to intra‐ensemble charge separation, the integration of TMCs onto a strong electron‐accepting material such as graphene which provides unique TMC/graphene consisted of great significance. Electrochemical water splitting is a promising technology for converting, storing and transporting hydrogen energy in a sustainable manner. Because of their unique physical and chemical properties, as well as their low cost, transition metal chalcogenides are fascinating replacements for catalysts in catalytic water splitting. Transition metal chalcogenides have worldwide attention in recent decades due to their applications in chemical sensors, biological and environmental monitoring applications from biosensors to therapeutic treatment agents.
Design, Synthesis, and Molecular Docking Studies of 5‐Bromoindole‐2‐Carboxylic Acid Hydrazone Derivatives: In Vitro Anticancer and VEGFR‐2 Inhibitory Effects
Authors: Hassan Omeed M. , Razzak Mahmood Ammar A. , Hamzah Ali H. , Tahtamouni Lubna H. 
Published: December 2022

AbstractA new set of 5‐bromoindole‐2‐carboxylic acid hydrazone derivatives were synthesized and studied as potential inhibitors of VEGFR‐2 tyrosine kinase (TK). Various physical (color, melting point, etc.) and spectroscopic (IR, 1H NMR, 13C NMR, and MS) methods were used to determine the structure of the novel 5‐bromoindole hydrazone derivatives. A molecular docking study revealed that 5‐bromo‐N′‐(4‐hydroxy or 4‐chloro or 4‐(dimethyl amino) benzylidene or furan‐2‐ylmethylene)‐1H‐indole‐2‐carbohydrazide derivatives had the best binding energies against the VEGFR TK domain. All of the newly synthesized compounds displayed adequate absorption levels and did not appear to inhibit cytochrome P450. Furthermore, they did not show in silico hepatotoxicity. The novel indole hydrazone derivatives inhibited cell proliferation (measured by the MTT assay) in three human cancer cell lines tested, with the 5‐bromo‐N′‐(4‐(dimethyl amino) benzylidene)‐1H‐indole‐2‐carbohydrazide derivative (5BDBIC) being the most potent against Hep G2 hepatocellular carcinoma cells (IC50=14.3 μM), and almost similar to that of the standard VEGFR TK inhibitor sorafenib (IC50=6.2 μM). Compound 5BDBIC inhibited VEGFR‐2 TK activity leading to cell cycle arrest at the G2/M phase, and induction of the intrinsic apoptosis pathway. In conclusion, compound 5BDBIC is a promising antitumor agent that targets the tyrosine kinase activity of VEGFR.
Microwave‐Assisted Synthesis of Bioactive Pyridine‐Functionalized N‐Alkyl‐Substituted (Benz)Imidazolium Salts
Authors: Mah Wee Li , Jun Tan Xiu , Choo Kar Bee , Lee Shiaw Xian , Tan Kong Wai , Yeong Keng Yoon , Lee Sui Mae , Cheow Yuen Lin 
Published: December 2022

AbstractImidazolium salts have always been well recognized as the precursors to ionic liquids. Various studies have been extended to their biological properties, in which many have discovered interesting results. In this study, a series of pyridine‐functionalized (benz)imidazolium salts were synthesized using the conventional synthetic method, and microwave irradiation. The products were tested biologically against a list of microorganisms via broth microdilution assay and cancer cell lines using a standard MTT assay. Lead compound 4 e exhibited great antimicrobial properties with lowest MIC value of 3.91 μg/mL against Bacillus cereus, Bacillus subtilis, Staphylococcus aureus and Enterococcus faecalis. Remarkable anticancer properties of 3 f were shown with IC50 value as low as 0.71 μM against human colon cancer (HCT116). From our study, the MIC of 4 e and IC50 values of 3 f surpassed the potency of positive controls such as chloramphenicol (8.08–16.2 μg/mL) and cisplatin (10.78 μM) respectively. Additionally, the use of microwave irradiation has significantly reduced the reaction time from 5 days in a conventional setup, to a 3‐hour synthetic reaction in a microwave synthesizer.
Purification and Characterization of Lipoxygenase from Walnuts (Juglans Regia) and Investigation of the Effects of Some Phenolic Compounds on the Activity
Authors: Öztürk Kesebir Arzu 
Published: December 2022

AbstractThis study reports the purification and characterization of lipoxygenase protein from walnut (Juglans regia). Lipoxygenases (LOX) are the key enzyme of germination in plants. Purification of LOX was 62,28 fold in 68 % yield with a specific activity of 24.29 U/mg using ammonium sulfate precipitation and DEAE‐Sepharose Fast Flow Ion Exchange Column. The optimum pH value of the enzyme was determined as pH 7 and the optimum temperature value as 30 °C. It was determined that morin hydrate, p‐coumaric acid, syringaldehyde and vanillic acid inhibited LOX, and their IC50 values were 304 μM, 233 μM, 643.2 μM and 218.1 μM respectively. It has been concluded that walnut, which is used frequently in many parts of the world, is a good source of LOX and this study can be a guide for studies in medicine, food industry, cosmetics and pharmacy.
Neuer Kanzlerplatz Bonn mit herausfordernder Abfangkonstruktion
Authors: Sauerborn Norbert , Krug Telja , Lang Christian , Hartmann Sabine , Zimmermann Leroy 
Published: December 2022

AbstractRepräsentative Foyerbereiche stellen durch ihren architektonischen Anspruch hinsichtlich Querschnittsausbildung und Stützenform hohe Anforderungen an die Planung und Ausführung von exponierten, oftmals mehrgeschossigen Stützen. Besonders spannend werden diese Aufgaben, wenn diese Stützen als Lastsammler für aufgehende Geschosse bei gleichzeitiger Vergrößerung des Stützenrasters eingesetzt werden. Im Folgenden wird für das Bauvorhaben Neuer Kanzlerplatz in Bonn die mehrgeschossige Abfangkonstruktion des auskragenden Hochhausteils einschließlich der vier gevouteten Mega‐Foyerstützen mit rautenförmigem Grundriss als architektonisches Highlight beschrieben. Dabei werden Besonderheiten in Fertigung, Montage und Brandschutz sowie die Beeinflussung dieser Herstellschritte auf die konstruktive Konzeption und Planung aufgezeigt.
A Primer on Building Life‐Like Systems
Authors: Vibhute Mahesh A. , Mutschler Hannes 
Published: December 2022

AbstractThe quest to understand life and recreate it in vitro has been undertaken through many different routes. These different approaches for experimental investigation of life aim to piece together the puzzle either by tracing life's origin or by synthesizing life‐like systems from non‐living components. Unlike efforts to define life, these experimental inquiries aim to recapture specific features of living cells, such as reproduction, self‐organization or metabolic functions that operate far from thermodynamic equilibrium. As such, these efforts have generated significant insights that shed light on crucial aspects of biological functions. For observers outside these specific research fields, it sometimes remains puzzling what properties an artificial system would need to have in order to be recognized as most similar to life. In this Perspective, we discuss properties whose realization would, in our view, allow the best possible experimental emulation of a minimal form of biological life.
Examining science teachers' engagement in professional development: A multimodal situated perspective
Authors: Vivante Irit , Vedder‐Weiss Dana 
Published: December 2022

AbstractResearch indicates many professional development (PD) programs fail to promote a significant change in science teaching, despite the resources invested in them. While previous research addresses this problem through aspects of policy making, design, and teachers' identity, we suggest a focus on teachers' engagement in learning during PD sessions. Engagement is critical for learning processes and outcomes and affects teachers' professional learning, and, hence, their teaching. Yet little research explores teachers' engagement during professional learning. Most researchers approach engagement from a psychological perspective, using self‐report tools, usually questionnaires. To enable a more complete understanding of science teacher engagement in PD, we offer a novel multimodal contextual perspective on engagement, one that perceives engagement as embodied, situated, local, and dynamic. We present a multimodal situated analytical tool referring to the expected behavior in specific contexts, as defined by the norms of the situation and its participants. To develop the tool and apply it, we used video‐recorded PD sessions of Israeli elementary and middle school science teachers, focusing our analysis on the engagement of 10 teachers over 21.5 h. We used multimodal analysis to map teachers' engagement in relation to the requested action, referring to: (1) five engagement levels determined by the expected behavior; (2) different engagement modalities—verbal, body posture and gestures, gaze, and facial expressions; and (3) engagement duration. We demonstrate the potential of this analytical framework to advance the understanding of PD interactions by comparing: (1) two teachers' engagement in the same activity; and (2) teachers' engagement in three PD activities: whole‐class learning, game playing, and inquiry‐into‐practice. The analysis reveals differences within and between teachers, as well as between the activities, in levels of engagement and alignment between modalities. We discuss the theoretical and practical implications of these findings and suggest how the tool may be applied in research.
Comparing the effects of intravenous injection and intranasal atomisation of detomidine in sheep
Authors: Tahmasbi Touran , Raisi Abbas , Zakian Amir , Khaldari Majid 
Published: December 2022

AbstractBackgroundDetomidine is an α‐2 agonist sedative drug which reduces the release of norepinephrine in nerves. Administering this drug through intranasal (IN) route could cause direct transmission to the central nervous system. Therefore, IN administration of detomidine would decrease the side effects and the onset of sedation.ObjectivesIn this study, IN administration of detomidine in sheep through an atomiser was compared to its IV administration.MethodsFifteen mature female sheep with an approximate weight of 49.53 ± 1.72 kg were used. They were randomly divided into three groups: (1) atomising 10 μg/kg (IND10); (2) IV 10 μg/kg (IVD) and (3) atomising 30 μg/kg (IND30). Following administration, vital signs, electrocardiographic components, sedative score and biochemistry profile were measured after 15, 30 and 60 min, which were compared with the baseline measures.ResultsBradycardia and the percentage of reduction from the baseline value in the respiratory rate were lower in the IND10 group compared to those in the IVD group. There was no significant difference in terms of the temperature and blood oxygen saturation (SpO2) among all the groups (p > 0.05). The level of cortisol declined in all the groups, and in the IND30 (60 min), it was significantly different with the baseline value. The level of glucose increased in all the groups compared to the baseline, which was not significant. Insulin concentration was reduced in all the groups, and in the IND30 group, it changed significantly 60 min after the drug administration. Sedation onset time was faster in the IV group. However, sedation scores between the two administration methods were not different, and only a dose‐dependent increase was found in the sedation score in the atomisation group.ConclusionsOur findings revealed that IN atomisation of detomidine triggers similar sedation as its IV administration, which could be used as an alternative method.
Electroweak corrections to the Charm-Top-Quark Contribution to ϵK
Authors: Brod Joachim , Kvedaraitė Sandra , Polonsky Zachary , Youssef Ahmed 
Published: December 2022

Abstract
We calculate the leading-logarithmic and next-to-leading-logarithmic electroweak corrections to the charm-top-quark contribution to the effective |∆S| = 2 Lagrangian, relevant for the parameter ϵK. We find that these corrections lead to a −0.5% shift in the corresponding Wilson coefficient. Moreover, our calculation removes an implicit ambiguity in the standard-model prediction of ϵK, by fixing the renormalization scheme of the electroweak input parameters.
Oscillation Estimates for Truncated Singular Radon Operators
Authors: Słomian Wojciech 
Published: December 2022

AbstractIn this paper we prove uniform oscillation estimates on $$L^p$$

L
p

, with $$p\in (1,\infty )$$

p
∈
(
1
,
∞
)

, for truncated singular integrals of the Radon type associated with the Calderón–Zygmund kernel, both in continuous and discrete settings. In the discrete case we use the Ionescu–Wainger multiplier theorem and the Rademacher–Menshov inequality to handle the number-theoretic nature of the discrete singular integral. The result we obtained in the continuous setting can be seen as a generalisation of the results of Campbell, Jones, Reinhold and Wierdl for the continuous singular integrals of the Calderón–Zygmund type.
Ability to return to sports after early lateral ligament repair of the ankle in 147 elite athletes
Authors: Hong Choon Chiet , Calder James 
Published: December 2022

AbstractPurposeThe literature on elite athletes’ ability to return to sports (RTS) after early lateral ligament repair of the ankle remains inadequate. The time needed to RTS after modified Broström repair for acute grade III lateral ligament injuries in a large cohort of elite athletes was evaluated while assessing the impact of other associated injuries.MethodsProspective data from 147 elite athletes who underwent a primary lateral ligament repair for acute grade III injuries with clinical ankle instability from 2015 to 2019 with a minimum of 2‐year follow‐up were reviewed. Pertinent details such as characteristics of injury, time taken to RTS, impact of associated injuries on RTS and complications were recorded and analysed.ResultsThe average age was 24.4 years (S.D = 4.9) with 89.1% males. Approximately two‐thirds of the elite athletes were football players (66.0%) and 21.1% were rugby players. Isolated lateral ligament complex injuries were sustained by 122 (83%) patients, while 25 (17%) had associated injuries (osteochondral lesions of the talus/deltoid injury/syndesmosis injury). All 147 athletes returned to their preinjury level of sports with a median time of 69 days (range 58–132 days). There was no significant difference found in time to RTS between gender, age, and types of sports. However, there was a statistically significant difference noted in the time taken to RTS earlier in patients with isolated lateral ligament injuries when compared to those with associated injuries (68.6 vs. 82.8 days; p = 0.004). Multiple conditional linear regression yielded three independent predictors of longer time taken to RTS which were associated deltoid injury (7.5 days longer; 95% CI 2.9–12.3; p = 0.002), associated syndesmosis injury (6.7 days longer; 95% CI 0.5–12.8; p = 0.034) and associated OLT (30.3 days longer; 95% CI 25.1–35.5; p = 0.000).ConclusionEarly surgical repair for acute grade III lateral ligament injuries in elite athletes yielded excellent rate of RTS at 9–10 weeks and a re‐injury rate of 2%. Concomitant injuries will delay RTS after surgical intervention. These findings serve as important guide to managing elite athletes following acute rupture of the lateral ligament complex.Level of evidenceLevel III.
Sequence planning of sheet metal parts manufactured using progressive dies
Authors: Yang Yang , Hinduja Srichand 
Published: December 2022

AbstractProgressive dies are widely used for the mass manufacture of sheet metal parts requiring several stamping operations. Sequencing these stamping operations is vital as it influences the design of the die, especially the number of stations required to make the part. This paper presents a method for automatically generating the sequence plan for parts manufactured using progressive dies. This method establishes a scheme that maps sheet metal features into their corresponding stamping operations, including shearing, bending and forming. The mapped operations are initially placed in one of two categories and then the operations in one category are clubbed together using heuristic rules. The essential characteristics of each group are analysed to establish fuzzy relationships between any selected group and the remaining groups. The final membership value vector obtained from the fuzzy set theory is used to sequence these groups. A program developed in C++ based on this method has been tested on representative industrial sheet metal parts. The methodology is validated by comparing the generated sequences, for two case studies, with those used in industry.
The finiteness conjecture for skein modules
Authors: Gunningham Sam , Jordan David , Safronov Pavel 
Published: December 2022

AbstractWe give a new, algebraically computable formula for skein modules of closed 3-manifolds via Heegaard splittings. As an application, we prove that skein modules of closed 3-manifolds are finite-dimensional, resolving in the affirmative a conjecture of Witten.
Sources of Fungal Symbionts in the Microbiome of a Mobile Insect Host, Spodoptera frugiperda
Authors: Watson Monica , May Georgiana , Bushley Kathryn E. 
Published: December 2022

Abstract
The sources of fungal symbionts of insects are not well understood, yet the acquisition and assembly of fungal communities in mobile insect hosts have important implications for the ecology of migratory insects and their plant hosts. To determine potential sources of fungi associated with the fall armyworm (Spodoptera frugiperda), we characterized the fungal communities associated with four different ecological compartments (insects, infested leaves, uninfested leaves, and soil) and estimated the contributions of each of these potential sources to the insect’s fungal microbiome. Results show that insect fungal community composition was distinct from and more varied than the composition of fungal communities in the environment of those insects (plants and soil). Among the sources evaluated, on average we found a surprisingly large apparent contribution from other congeneric S. frugiperda insect larvae (ca. 25%) compared to the contribution from soil or plant sources (< 5%). However, a large proportion of the insect microbiome could not be attributed to the sampled sources and was instead attributed to unknown sources (ca. 50%). Surprisingly, we found little evidence for exchange of fungal taxa, with the exception of a Fusarium oxysporum and a Cladosporium sp. OTU, between larvae and the infested leaves on which they fed. Together, our results suggest that mobile insects such as S. frugiperda obtain their fungal symbionts from a variety of sources, not limited to plants and soil, but including conspecific insects and other unsampled environmental sources, and that transmission among insects may play an important role in acquisition of fungal symbionts.
Targeting of phagolysosomes containing conidia of the fungus Aspergillus fumigatus with polymeric particles
Authors: González Katherine , Gangapurwala Gauri , Alex Julien , Vollrath Antje , Cseresnyés Zoltán , Weber Christine , Czaplewska Justyna A. , Hoeppener Stephanie , Svensson Carl-Magnus , Orasch Thomas , Heinekamp Thorsten , Guerrero-Sánchez Carlos , Figge Marc Thilo , Schubert Ulrich S. , Brakhage Axel A. 
Published: December 2022

Abstract
Conidia of the airborne human-pathogenic fungus Aspergillus fumigatus are inhaled by humans. In the lung, they are phagocytosed by alveolar macrophages and intracellularly processed. In macrophages, however, conidia can interfere with the maturation of phagolysosomes to avoid their elimination. To investigate whether polymeric particles (PPs) can reach this intracellular pathogen in macrophages, we formulated dye-labeled PPs with a size allowing for their phagocytosis. PPs were efficiently taken up by RAW 264.7 macrophages and were found in phagolysosomes. When macrophages were infected with conidia prior to the addition of PPs, we found that they co-localized in the same phagolysosomes. Mechanistically, the fusion of phagolysosomes containing PPs with phagolysosomes containing conidia was observed. Increasing concentrations of PPs increased fusion events, resulting in 14% of phagolysosomes containing both conidia and PPs. We demonstrate that PPs can reach conidia-containing phagolysosomes, making these particles a promising carrier system for antimicrobial drugs to target intracellular pathogens.

Key points
• Polymer particles of a size larger than 500 nm are internalized by macrophages and localized in phagolysosomes.
• These particles can be delivered to Aspergillus fumigatus conidia-containing phagolysosomes of macrophages.
• Enhanced phagolysosome fusion by the use of vacuolin1 can increase particle delivery.