bluuebunny/crossref_metadata_2025 huggingface dataset:
Carboxylic Groups via Postpolymerization Modification of Polythiophene and their Influence on the Performance of a Polymeric MALDI Matrix
Authors: Qiao Zhi , Horatz Kilian , Ho Po Yuen , Mitrofanov Andrei , Zhou Changjiang , Sun Ningwei , Lissel Franziska S.‐C.
Published: December 2022

Matrix‐assisted laser desorption/ionization mass spectrometry (MALDI MS) requires a matrix, and traditionally small organic matrices (SOMs) carrying acidic or basic functional groups are used. However, the analyte ionization via secondary processes in the gas‐phase seems to be more important than primary processes. For conjugated polymeric matrices, an even more complicated picture emerges due to their apolar and aprotic nature, high molecular weight, and low tendency to desorb. Poly(3‐dodecylthiophene‐2,5‐diyl) (P3DDT), a good matrix for low‐molecular weight (LMW) analytes, does not give matrix‐related peaks in the LMW area. Here, carboxylic acid (COOH) side‐chains are introduced via postpolymerization modification. The polymers are characterized by NMR, FT‐IR, CV, MALDI MS, and, when possible, GPC. The electron withdrawing side‐chains serve three functions; i) raising the ionization potential (IP), ii) improving the absorption maximum, and iii) acting as a source of protons. When measuring basic amines, this results in the occurrence of additional [Analyte + H+]+ signals compared to polymers without acidic groups, where only radical cations [Analyte]+• are detected. Similarly, estradiol and testosterone, compounds with high IPs, are not detected by polythiophenes without acidic groups, while P3DDT‐COOH enables detection as protonated species.
Green technology licensing: Evaluating government subsidies based on different efficiency levels across competitors
Authors: Ma Jingpei , Sun Xuejun
Published: December 2022

Green technology development results in manufacturers in traditional industries reducing carbon emissions to alleviate pressure on the ecological environment. Some manufacturers efficiently adopt this green technology and some do not. An effective green technology licensing strategy can promote the diffusion of technology from highly efficient manufacturers to those who are less efficient. The government has implemented subsidies to promote green technology among manufacturers. Manufacturers with high levels of technology efficiency should obtain a high level of licensing income; however, it is unclear whether these licensing rewards are effective, especially in the face of fierce market competition. What is the government's optimal subsidy policy to address this problem? In this study, given a possible government subsidy, we develop a game theory model that includes Manufacturer H, with relatively high green technology investment efficiency, and Manufacturer L, with low levels of efficiency. The two manufacturers engage in a two‐dimensional competition in green technology investment and sales volume. We examine the manufacturers' profitability with and without green technology licensing, called Scenario Y and Scenario N, respectively. We identify “win–win” situations for the two competing manufacturers. Specifically, the government should increase the subsidy when the efficiency of industrial green investment is low, Manufacturer L has a clear disadvantage with respect to efficiency, and the competition is fierce.
Source term identification of time‐fractional diffusion equation under Robin boundary condition
Authors: Cui Jianxuan , Cheng Hao
Published: December 2022

The source term identification of the time‐fractional diffusion equation under Robin boundary condition is studied. This problem is ill‐posed. Therefore, we apply Landweber iterative regularization method, fractional Landweber iterative regularization method, TSVD method, combining TSVD method, and fractional Landweber iterative regularization method, respectively. The comparisons of these four methods are given, which can help us select the most effective method. The error estimates between the regularized approximate solutions and the exact solution are given under the a priori and a posteriori regularization parameter choice rules. Finally, numerical examples verify the effectiveness of the methods.
Breast Milk‐Derived Limosilactobacillus reuteri Prevents Atopic Dermatitis in Mice via Activating Retinol Absorption and Metabolism in Peyer's Patches
Authors: Qi Ce , Tu Huayu , Zhao Yuning , Zhou Jingbo , Chen Jie , Hu Haiting , Yu Renqiang , Sun Jin
Published: December 2022

Scope

Supplementing Limosilactobacillus reuteri Fn041, a breast milk‐derived probiotic from agricultural and pastoral areas, to maternal mice during late pregnancy and lactation prevents atopic dermatitis (AD) in offspring. This study aims to elucidate the molecular mechanism of Fn041‐mediated immune regulation.

Methods and results

Fn041 is administered prenatal and postnatal to maternal mice, and to offspring after weaning. The ears are administered with calcipotriol to induce AD. Fn041 treatment significantly alleviates ear inflammation, and reduces mast cell infiltration. Fn041 treatment upregulates and downregulates intestinal ZO‐1 and Claudin‐2 mRNA expression, respectively. Transcriptome analysis of Peyer's patches reveals that pathways related to DNA damage repair are activated in AD mice, which is inhibited by Fn041 treatment. Fn041 activates pathways related to retinol absorption and metabolism. Untargeted metabolomic analysis reveals that Fn041 treatment increases plasma retinol and kynurenine. Fn041 treatment does not significantly alter the overall cecal microbiota profile, only increases the relative abundances of Ligilactobacillus apodemi, Ligilactobacillus murinus, Akkermansia muciniphila, and Bacteroides thetaiotaomicron.

Conclusions

Fn041 induces anti‐AD immune responses directly by promoting the absorption and metabolism of retinol in Peyer's patches, and plays an indirect role by strengthening the mucosal barrier and increasing the abundance of specific anti‐AD bacteria in the cecum.
The landscape of TIGIT target and clinical application in diseases
Authors: Rui Shu , Kong Xiangyu , Liu Jiaye , Wang Liying , Wang Xiaofei , Zou Xiuhe , Zheng Xun , Ye Feng , Xu Heng , Li Zhihui , Luo Han
Published: December 2022

Immune checkpoint blockade has dramatically altered the concept of cancer therapeutics over the past few years. Beyond the existing classical pathways, novel immune checkpoints, such as T‐cell immunoglobulin and immunoreceptor tyrosine‐based inhibitory motif (ITIM) structural domain (TIGIT), have also emerged in recent years and have promising therapeutic potential. Recent researches have provided ample evidence that TIGIT is extensively involved in various cancerous and noncancerous diseases such as chronic inflammation, autoimmune diseases, abnormal pregnancy status, and most recently coronavirus disease 2019. In contrast to the programmed cell death receptor 1 pathway which primarily affects T‐cell function, targeting TIGIT pathway regulates multiple types of immunocytes but has fewer immune‐related adverse events. Owing to its unique advantages and extensive involvement in diseases, extensive clinical trials blockade TIGIT or combine it with other targets are ongoing, and numerous phase II clinical trials have already seen promising results. In this review, we summarized the existing research on TIGIT in various diseases and discussed the perspective and challenges related to targeting this molecular for therapy, with an attempt to provide directions for subsequent studies.
An experimental framework for assessing the detective quantum efficiency of spectroscopic x‐ray detectors
Authors: Zarif Yussefian Nikta , Tanguay Jesse
Published: December 2022

Background

Assessing the performance of spectroscopic x‐ray detectors (SXDs) requires measurement of the frequency‐dependent detective quantum efficiency (DQE). Analytical expressions of the task‐based DQE and task‐independent DQE of SXDs have been presented in the literature, but standardizable experimental methods for measuring them have not. The task‐based DQE quantifies the efficiency with which an SXD uses the x‐ray quanta incident upon it to either quantify or detect a basis material (e.g., soft tissue or bone) of interest. The task‐independent DQE is akin to the conventional DQE in that it is independent of the basis material to be detected or quantified.

Purpose

The purpose of this paper is to develop an experimental framework to present a method for experimental analysis of the DQE of SXDs, including the task‐based DQE and task‐independent DQE.

Methods

We develop methods to measure the frequency‐dependent DQE for task of quantifying or detecting a perturbation in a known basis material. We also develop methods for measuring a task‐independent DQE. We show that the task‐based DQEs and the task‐independent DQE can be measured using a modest extension of the methods prescribed by International Electrotechnical Commission (IEC). Specifically, measuring the task‐independent DQE requires measuring the modulation transfer function (MTF) and noise power spectrum (NPS) of each energy‐bin image, in addition to the cross NPS between energy‐bin images. Measuring the task‐based DQEs requires an additional measurement of the transmission fraction through a thin basis‐material absorber. We implemented the developed methods using standardized IEC x‐ray spectra, aluminum (Al) and polymethyl methacrylyte (PMMA) basis materials, and a cadmium telluride (CdTe) SXD equipped with two energy bins and analog charge summing (ACS) for charge‐sharing suppression. We also performed a regression analysis to determine whether or not the task‐independent DQE is predictive of the task‐based DQEs.

Results

Experimental results of the task‐based DQEs were consistent with simulation results presented in the literature. In general, and as expected, ACS increased the task‐based DQEs and task‐independent DQE. This effect was most pronounced for quantification tasks, in some instances yielding a five‐fold increase in the DQE. For both spectra, with and without ACS for charge sharing correction, the task‐based DQEs were linearly related to the task‐independent DQE, as demonstrated by R2‐values ranging from 0.89 to 1.00.

Conclusions

We have extended experimental DQE analysis to SXDs that count photons in multiple energy bins in a single x‐ray exposure. The developed framework is an extension of existing IEC methods, and provides a standardized approach to assessing the performance of SXDs.
Balancing stability and efficiency in team formation as a generalized roommate problem
Authors: Atef Yekta Hoda , Bergman David , Day Robert
Published: December 2022

The assignment of personnel to teams is a fundamental managerial function typically involving several objectives and a variety of idiosyncratic practical constraints. Despite the prevalence of this task in practice, the process is seldom approached as an optimization problem over the reported preferences of all agents. This is due in part to the underlying computational complexity that occurs when intra‐team interpersonal interactions are taken into consideration, and also due to game‐theoretic considerations, when those taking part in the process are self‐interested agents. Variants of this fundamental decision problem arise in a number of settings, including, for example, human resources and project management, military platooning, ride sharing, data clustering, and in assigning students to group projects. In this article, we study an analytical approach to “team formation” focused on the interplay between two of the most common objectives considered in the related literature: economic efficiency (i.e., the maximization of social welfare) and game‐theoretic stability (e.g., finding a core solution when one exists). With a weighted objective across these two goals, the problem is modeled as a bi‐level binary optimization problem, and transformed into a single‐level, exponentially sized binary integer program. We then devise a branch‐cut‐and‐price algorithm and demonstrate its efficacy through an extensive set of simulations, with favorable comparisons to other algorithms from the literature.
A fast and accurate algorithm for solving linear systems associated with a class of negative matrix
Authors: Yang Zhao
Published: December 2022

A class of negative matrices including Vandermonde‐like matrices tends to be extremely ill‐conditioned, and linear systems associated with this class of matrices appear in the polynomial interpolation problems. In this article, we present a fast and accurate algorithm with complexity to solve the linear systems whose coefficient matrices belong to the class of negative matrix. We show that the inverse of any such matrix is generated in a subtraction‐free manner. Consequently, the solutions of linear systems associated with the class of negative matrix are accurately determined by parameterization matrices of coefficient matrices, and a pleasantly componentwise forward error is provided to illustrate that each component of the solution is computed to high accuracy. Numerical experiments are performed to confirm the claimed high accuracy.
Investigation the effect of processing condition and dispersed phase content on rheology–morphology relationship in polypropylene/polyethylene terephthalate microfibrillar composite
Authors: Hejazi Elahe sadat , Masoomi Mahmood
Published: December 2022

Morphological evolutions during the production of microfibrillar composites can be investigated by considering two main steps: (1) the melt blending in the extruder and (2) the drawing process. Deformation, coalescence and break‐up of dispersed phase droplets under shear and elongational flow fields applied in these two main steps lead to the formation of fibrillar morphology. Therefore, it can be stated that the fibrillar morphology is controlled by dispersed phase content, rheological and interfacial properties of the components as well as dispersed phase domains relaxation. In this study, the effect of dispersed phase content on the morphology of the polypropylene/polyethylene terephthalate microfibrillar composite was investigated. Also, three following processing parameters were considered to evaluate the kinetics of in‐situ formation of the microfibrils: Extruder die temperature, water bath temperature and the drawing path length. Linear and nonlinear rheological tests were used as an efficient tool to investigate the rheology–morphology relationship. Among the processing parameters studied, the drawing path length and die temperature had the most and least effect on microfibrillar morphology, respectively. By increasing the drawing path length from 20 to 30 cm, the break‐up of the fibrils and non‐uniformity in the cross section of the fibrils caused a weaker strain recovery after stress removal and also a rapid reduction of stress after cessation of steady shear flow field. Increasing the die temperature has a similar but weaker effect on the final morphology. The rheological results in the linear viscoelastic range all indicated the formation of a physical network of microfibrils within the matrix.
Structural, thermal and dielectric properties of glycerolized hydrogen‐bonded polyvinyl alcohol films
Authors: Gassab Marwa , Brefuel Nicolas , Sylvestre Alain , Dridi Chérif , Basrour Skandar
Published: December 2022

In order to evaluate the influence of plasticizers on the behavior of the dielectric properties of polymers intended for the elaboration of flexible sensors, we have studied the influence of the addition of glycerol (10 wt%–40 wt%) in polyvinyl alcohol (PVA). Once processed, the PVA films were not subjected to any particular annealing and they were dried at room temperature for 24 h before being characterized. This choice allows both to take advantage of the presence of water in the bulk of the material, which will help to make the PVA more flexible (increase of plasticization effect produced by extra‐H‐bonding) and avoid a transient behavior of water absorption into the material, as we could verify. DSC and FTIR investigations confirm good intermolecular interaction between vinyl polymer chains, glycerol, and water molecules. Dielectric spectroscopy analysis, carried out in [25°C–110°C] temperature and [0.1 Hz–1 MHz] frequency ranges, reveals a significant increase in the dielectric constant when the glycerol content is higher (at 0.1 Hz: 322 for pure PVA, 1.3 × 106 with 40 wt% of glycerol). Polar hydrogen bonds introduced by the glycerol are the main reason for this increase. Ionic conductivity induced by these dipoles dominates the loss tangent response of the material. The activation energy obtained from the DC conductivity plateau obeys to a conventional Arrhenius law with a decreasing value at highest glycerol contents (1.35 eV for pure PVA against 0.46 eV with 40 wt% of glycerol).
Closed‐loop consensus control of partial difference multi‐agent systems via variable gain iterative learning strategy
Authors: Wang Cun , Zhou Zupeng , Liu Xufeng
Published: December 2022

In the research on consensus control of multi‐agent systems (MASs), it is the key to ensure that the state quantities (speed, displacement, etc.) of all agents tend to be consensus. Under this premise, how to accelerate the convergence rate of the consensus error is also an important issue. Aiming at the accelerated consensus problem of MASs composed of partial difference equations, based on the network topology and the output form of each follower, a distributed closed‐loop accelerated iterative learning control (ILC) protocol with variable gain was proposed, which was designed to improve the speed of consensus error. With the help of basic mathematical tools such as discrete Gronwall inequality and contraction mapping method, the sufficient conditions for the convergence of the consensus error are derived and analyzed. Finally, numerical simulations show that the proposed acceleration control protocol is more effective than the traditional open‐loop and closed‐loop ILC protocols.
Enhancing Sorghum bicolor (L.) grain yield with the use of field edge rainwater harvesting and NPK fertiliser in a dry region of Zimbabwe
Authors: Kugedera Andrew Tapiwa , Nyamadzawo George , Mandumbu Ronald , Kokerai Letticia Kudzai
Published: December 2022

Background

Farmers in marginalised areas across Africa are mainly resource poor and have limited capacity to procure enough inorganic fertilisers. This contributed immensely towards declining crop productivity causing food insecurity. Soil moisture stress is another key factor which has led to a decline in crop yields across semi‐arid areas. This experiment determines the effects of field edge rainwater harvesting and NPK fertiliser microdosing on sorghum grain yields and agronomic nutrient use efficiency of two sorghum varieties (Macia and SV1). Rainwater harvesting techniques was the main plot factor with three levels (tied contour, infiltration pits and standard contour), sorghum variety was used as subplot factor with two levels (Macia and SV1) and NPK fertiliser as sub‐sub plot factor with five levels (0, 25, 50, 100 and 150 kg ha−1) with all treatments replicated three times. A randomised complete block design arranged in split‐plot was used.

Results

Phosphorous was significantly increased from 3.32 to 3.52 mg kg−1 with no significant (p > 0.05) increase in total nitrogen and soil organic carbon. Sorghum grain yields were statistically (p < 0.05) influenced by main treatment factors. Tied contour had considerably higher grain yield (861 kg ha−1) than infiltration pits and standard contours. Highest grain yield of 909 kg ha−1 was observed from plots applied 150 kg ha−1 NPK fertiliser. Macia variety performed significantly (p < 0.05) higher than SV1. Grain yields show significant (p < 0.05) increase with increasing fertiliser levels. Interaction of tied contour + Macia+ 150 kg ha−1 NPK fertiliser had significant grain yields (1150 kg ha−1) compared to other treatments. Treatments applied NPK fertiliser show significant differences (p < 0.05) than unfertilised plots. Agronomic nutrient use efficiencies were significantly higher (p < 0.05) from all treatments applied 25 kg ha−1 NPK fertiliser. Sorghum variety Macia had better nutrient use efficiency than SV1 in 2017/18 and 2018/19 seasons except during 2019/20 where results show insignificant differences.

Conclusion

It can be concluded that farmers adopt the use of tied contour and Macia variety using 150 kg ha−1 to achieved higher yields. Combining rainwater harvesting method of tied contour and mineral fertiliser can increase sorghum grain yields in dry regions.
Two‐ and Three‐Phase Self‐assembly of Molecular Capsules
Authors: Shivanyuk Alexander , Lagerna Oleksandra , Dolgonos Grygoriy A. , Rozhkov Vladimir , Shishkina Svetlana , Lukin Oleg , Poyarkov Alexey , Fetyukhin Volodymyr
Published: December 2022

Two‐ and three‐phase molecular encapsulations of Me4N+ or C7H7+ in the hydrogen‐bonded dimers of resorcin[4]arene tetraphosphates enable ion pair separations, dissolution of solid capsule components, and stabilization of capsule‐separated ion pairs in solution. Self‐assembly of the capsular ion pairs, the exchange of the encapsulated cations and external anions as well as the formation of heterodimeric capsular complexes are slow on hours time scale in heterogeneous systems and instantaneous in solutions. Spectroscopic studies and molecular modeling related the properties of the capsule‐separated ion pairs to the energies of induced conformational changes, hydrogen bonding, host‐guest interactions, ion pair separation, and the relative polarity of the solvent.
Preparation of H1.6Mn1.6O4/Chitosan Composite Microsphere and Its Adsorption Properties of Lithium
Authors: Wang Hua , Chen Guangzhou , Mo Lijie , Wu Guoqiang , Deng Xinyue
Published: December 2022

Li1.6Mn1.6O4 was synthesized by soft chemical synthesis and solid‐phase calcination. Then it was compounded with chitosan (CTS) to form composite microsphere by Epichlorohydrin used as a cross‐linking agent. Subsequently, 0.5 mol ⋅ L−1 sodium persulfate was used as an eluent, and the lithium ion sieve adsorbent (H1.6Mn1.6O4) was prepared. The influencing factors of the preparation conditions for the lithium ion sieve precursor were investigated, and the results showed that when the mixed salt solution was 100 mL (molar ratio of lithium manganese for 4 : 1), added 5 mL H2O2 and calcined at 400 °C for 5 hours, the relatively pure Li1.6Mn1.6O4 could be obtained. Aimed at the composite microsphere, the influencing factors of its preparation conditions was investigated. The results showed that the ratio of CTS to lithium ion sieve powder was 1 : 2, the amount of cross‐linking agent was 2 mL and the time were 30 min was the best condition. The adsorption effect was tested by eluting Li1.6Mn1.6O4 and composite microsphere with a variety of eluents. The results showed that the adsorption effect of Li1.6Mn1.6O4 was best when 0.5 mol ⋅ L−1 hydrochloric acid was used as the eluent, and its adsorption capacity was 32.34 mg ⋅ g−1, the dissolution loss rate of Mn is 1.61 %; the composite microsphere had the best effect when 0.5 mol ⋅ L−1 sodium persulfate was used as the eluent, its adsorption capacity was 13.29 mg ⋅ g−1, the dissolution loss rate of Mn was only 0.91 %, moreover it had better repeatability, with only a 20.83 % drop in performance after the tenth runs. Ion selectivity experiments showed that the adsorption selection was in the order of Li+≫K+>Mg2+>Ca+>Na+, and the composite adsorbent was highly selective for Li+.
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

In 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

A 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

Chalcogenides 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

A 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

Imidazolium 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

This 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.
Perylene Diimide Derivative Engineering for Covering Interfacial Defects in Indoor Perovskite Optoelectronics
Authors: Lee Junmin , Kim Byung Gi , Wang Dong Hwan
Published: December 2022

To fabricate efficient light sensing/energy conversion devices, the interfacial defects in perovskite devices must be controlled. Herein, an organic‐small‐molecule intermediate layer (consisting of PDINN; N,N'‐bis(3‐(3‐(Dimethylamino)propylaminropyl)perylene‐3,4,9,10‐tetracarboxylic diimide) perylene‐3,4,9,10‐tetracarboxylic diimide (C40H46N6O4)) is deposited between the upper electrode and intermediate layer of a sensing device. The PDI‐derivative has symmetrical aliphatic amine groups at both ends. The effects of the interfacial defect cover layer on the performance of the perovskite device due to the chemical and structural specificity of PDINN are investigated. The performance characteristics are determined under different illuminance conditions.
Toward a 2D/3D Finite‐Element–Based Digital Shadow for the Approximation of Metrologically Inaccessible Dynamic Fields of State Variables during Heavy Plate Rolling
Authors: Nemetz Andreas W. , Parteder Erik , Reimer Paula , Kaltenbrunner Thomas , Heise Bodo , Lekue Jagoba , Gross Thomas , Egger Rupert , Zeman Klaus
Published: December 2022

While innovations in metal forming technology are closely linked to material science, automation, and mechatronization in recent decades, nowadays, and in the upcoming years, they are supposed to be driven by digital transformation and virtualization. Motivated by this expectation and the fact that the dynamic, process‐relevant thermophysical state variables in plates during rolling are difficult or even impossible to measure, a modularly structured 2D/3D model, integrated into a digital shadow, is built and validated against a metrologically accessible process data. The decisive innovation of the presented modeling strategy is the investigation of the state during longitudinal rolling in the fillet, depending on the width direction. The fillet marks the heavy plate without head and tail crops, developed during longitudinal rolling. Application of the simulation tool reveals significant temperature gradients near the plate surfaces, both horizontally and vertically, but also a region of nearly constant temperature near the core. The development of the fillet cross‐section shape, including the emergence of bulges or contractions at the side surfaces, is predicted within the simulation. The digital shadow is scalable and has a parameterized structure so that rolling schedules of different compositions can be simulated.
Neuer Kanzlerplatz Bonn mit herausfordernder Abfangkonstruktion
Authors: Sauerborn Norbert , Krug Telja , Lang Christian , Hartmann Sabine , Zimmermann Leroy
Published: December 2022

Repräsentative 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

The 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

Research 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

Background

Detomidine 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.

Objectives

In this study, IN administration of detomidine in sheep through an atomiser was compared to its IV administration.

Methods

Fifteen 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.

Results

Bradycardia 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.

Conclusions

Our 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

In 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

Purpose

The 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.

Methods

Prospective 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.

Results

The 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).

Conclusion

Early 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 evidence

Level III.
Sequence planning of sheet metal parts manufactured using progressive dies
Authors: Yang Yang , Hinduja Srichand
Published: December 2022

Progressive 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

We 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

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.