bluuebunny/crossref_metadata_2025_split huggingface dataset:
The differential binding and biological efficacy of auxin herbicides
Authors: Prusinska Justyna , Uzunova Veselina , Schmitzer Paul , Weimer Monte , Bell Jared , Napier Richard M. 
Published: December 2022

AbstractBackgroundAuxin herbicides have been used for selective weed control for 75 years and they continue to be amongst the most widely used weed control agents globally. The auxin herbicides fall into five chemical classes, with two herbicides not classified, and in all cases it is anticipated that recognition in the plant starts with binding to the Transport Inhibitor Response 1 (TIR1) family of auxin receptors. There is evidence that some classes of auxins act selectively with certain clades of receptors, although a comprehensive structure–activity relationship has not been available.ResultsUsing purified receptor proteins to measure binding efficacy we have conducted quantitative structure activity relationship (qSAR) assays using representative members of the three receptor clades in Arabidopsis, TIR1, AFB2 and AFB5. Complementary qSAR data for biological efficacy at the whole‐plant level using root growth inhibition and foliar phytotoxicity assays have also been analyzed for each family of auxin herbicides, including for the afb5‐1 receptor mutant line.ConclusionsComparisons of all these assays highlight differences in receptor selectivity and some systematic differences between results for binding in vitro and activity in vivo. The results could provide insights into weed spectrum differences between the different classes of auxin herbicides, as well as the potential resistance and cross‐resistance implications for this herbicide class. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Are benzoylium and nitrilium ions produced from substituted 2‐arene‐2‐oxazolines during mass spectrometry? A study based on density functional theory calculations, quantum theory of atoms in molecules, and electrospray ionization tandem mass spectrometry
Authors: da Silva Borges Letícia , Batista João Henrique Carvalho , Bozzini Leandro , Lourenço Celso Donizete , Lopes Norberto Peporine , Clososki Giuliano Cesar , Vessecchi Ricardo 
Published: December 2022

RationaleOxazolines are important compounds for drug development, synthesis, and pharmaceutical applications. Interest in analyzing and developing methods to characterize reaction products from these small heterocyclics has led us to study the gas‐phase reactivity and fragmentation of seven 2‐arene‐2‐oxazolines compounds using computational chemistry combined with mass spectrometry.MethodProtonation sites were investigated using computed proton affinity, gas‐phase basicity, and some quantum chemistry descriptors of reactivity; the B3LYP/6–31+G(d,p) computational model was used. Fragmentation mechanisms were suggested by employing data from collision‐induced dissociation (CID), energy‐resolved plots from MS/MS spectra, multiple‐stage experiments, and survival‐yield method.ResultsProtonation studies based on quantum theory of atoms in molecules (QTAIM) and computational thermochemistry were useful to describe the reactivity of the investigated 2‐arene‐2‐oxazolines, which can be protonated at the nitrogen atom. Three major fragmentation pathways were identified for the protonated molecules: formation of (a) benzoylium or (b) nitrilium ions through elimination of 71 and 72 u from the protonated molecules, respectively, and (c) elimination of 54 u from [M+H]+. These pathways were exploited by the density functional theory calculations combined with QTAIM studies.ConclusionsOur results can help in identifying 2‐arene‐2‐oxazoline derivatives using electrospray ionization tandem mass spectrometry (ESI‐MS/MS), which can be applied for monitoring reactions through the identified diagnostic ions (product ions). Also, we can suggest that benzoylium and nitrilium ions emerge during fragmentation under CID conditions.
Design and manufacturing a novel screw‐in‐pipe inspection robot with steering capability
Authors: Torajizadeh H. , Asadirad A. , Mashayekhi E. , Dabiri Gh. 
Published: December 2022

AbstractIn this article, a novel in‐pipe inspection robot is designed and manufactured in Kharazmi University KharazmPipeBot. This robot is able to move through any pipeline with a predefined diameter range with a variable pitch rate and report any desired data within the pipe with the aid of the installed camera. To achieve the highest stability of the robot through the pipe, the robot's movement is based on the screw locomotion protocol provided by the aid of its rotor and stator. A simple suspension is designed for three legs of the robot by installing a passive prismatic joint equipped with a spring for each leg to provide a smoother movement for the robot chassis. The main novelty of the robot is adding an extra controlling actuator for the robot which is the steer of the front wheels. This input can control the pitch rate of the robot movement and consequently the spiral track of the wheels can be actively managed. This importance lets us to bypass the probable obstacles attached to the inner wall of the pipes. A brief presentation of the robot model is delivered. Afterward, to verify the claimed novelties of the system, a prototype of the robot is manufactured in Kharazmi University and the efficiency of the robot is demonstrated by conducting some initial experimental tests. It is shown that the robot can move with a variable pitch rate through the wall and pass a detected obstacle accordingly.
Millimeter‐Sized Hierarchical Porous Titanosilicate Supported Ultrafine Ag Nanoparticles as Highly Efficient Catalyst
Authors: Wang Minghui , Shu Ting , Ge Xinfeng , Hu Jun , Liang Yunxiao 
Published: December 2022

AbstractDeveloping easily recyclable noble metal nanoparticle‐based heterogeneous catalysts is highly desirable for the practical applications. Herein, a millimeter‐sized hierarchical porous titanosilicate (HPTS) was prepared by the multi‐template method. Various characterization results reveal that HPTS combines the structural advantages of monolith materials and nanomaterials. HPTS is used as an advanced support to construct the Ag/HPTS catalysts via the Ag+ in situ reduction on its pore wall. Ag/HPTS shows high catalytic activity for 4‐nitrophenol (4‐NP) reduction with the TOF values of 3.91 min−1, which can be attributed to the ultrafine Ag NPs (2.04 nm) and the unique structure of HPTS. The 3D pass‐through macroporous channels facilitate mass transfer. The mesopores with ultra‐short channel remarkably enhance the accessibility of the active sites. The abundant mesopores and micropores effectively confine the Ag NPs size. Moreover, Ag/HPTS demonstrated good stability and recyclability.
Crossing borders: On‐Water Synthesis of Flavanones
Authors: Torres‐Sauret Quirino , Vilchis‐Reyes Miguel A. , Martínez Roberto , Romero‐Ceronio Nancy , Alarcon‐Matus Erika , Hernández‐Abreu Oswaldo , Vázquez Cancino Romario , Alvarado Sánchez. Cuauhtémoc 
Published: December 2022

AbstractIn this article, a one‐pot methodology for the synthesis of flavanones “on‐water” from simple starting materials is reported. The reaction proceeds in basic media (KOH), at room‐temperature and in distilled water, during a period of 48 h with up to 96 % yields. In addition, most flavanones are obtained pure enough after a simple filtration procedure.
Synthesis and Characterization of BaTiO3/TiO2 Heterojunction Photocatalyst for Novel Application in Photocatalytic Degradation of TBBPA under Simulated Sunlight Irradiation
Authors: Wang Shifa , Yu Chuan , Chen Xiangyu , Zhang Kening , Gao Huajing , Yu Xianlun , Zhao Xinxin , Fang Leiming , Chen Xiping , Zhang Jing 
Published: December 2022

AbstractThe polyacrylamide gel method combined with low temperature sintering technology (PGMCLTST) have been used to synthesize the BaTiO3/TiO2 heterojunction photocatalysts. The BaTiO3/TiO2 heterojunction photocatalyst only contains tetragonal BaTiO3, rutile TiO2 and anatase TiO2, without any other impurities. Based on a variety of characterization, it was confirmed that a special heterojunction was formed between BaTiO3 and TiO2, and there were a large number of interface defects or oxygen defects in the samples. The BaTiO3/10 wt % TiO2 heterojunction photocatalysts have high photocatalytic activity for the degradation of tetrabromobisphenol A (TBBPA) under simulated sunlight irradiation. The interfacial defects enhance the transfer and separation efficiency of charge carriers in BaTiO3/TiO2 heterojunction photocatalysts. This technique provides a new idea for the application of BaTiO3/TiO2 heterojunction photocatalysts and other heterojunction photocatalysts in the degradation of persistent organic pollutants (POPs).
A Gold(III) Complex with Potential Anticancer Properties
Authors: Khan Haseeb A. , Al‐Hoshani Ali , Isab Anvarhusein A. , Alhomida Abdullah S. 
Published: December 2022

AbstractBreast cancer is the most frequently diagnosed cancer among women and is a leading cause of cancer‐related mortality in women worldwide. It is important to develop novel anticancer drugs with greater potency and fewer side effects. We synthesized a new gold(III) complex, dibenzyldithiocarbamato 2,2′‐bipyridine‐4,4′‐dicarboxaldehyde gold (DDBDG), that showed significant binding with peroxisome proliferator‐activated receptor‐gamma (PPARγ) in molecular docking analysis and demonstrated pro‐apoptotic properties in cell based assay. The IC50 values for DDBDG and sorafenib were found to be 0.875 μM and 4.445 μM, respectively. We evaluated the apoptotic effects of DDBDG and sorafenib on MCF‐7 breast cancer cell line. The results showed that DDBDG induced 2.2 folds, 4.4 folds, 5.5 folds apoptosis for 1 μM, 3 μM, and 10 μM concentrations, respectively. The induction of apoptosis for sorafenib was found to be 1.2‐folds (1 μM), 1.5‐folds (3 μM) and 1.6‐folds (10 μM). At low concentration (1 μM), DDBDG significantly increased the mitochondrial membrane potential depolarization as well as generation of reactive oxygen species in cancer cells. The in‐silico approaches showed that DDBDG is neither irritant nor having mutagenic, tumorigenic or reproductive toxicity. In conclusion, the drug‐like characteristics and potentially high apoptotic activity of DDBDG at low concentrations suggest its possible application in affordable chemotherapy of cancer.
Microwave‐Assisted Synthesis of Guar‐Gum and Carboxymethyl Cellulose‐Based Hydrogel for Efficient Removal of Crystal Violet and Brilliant Green Dyes
Authors: Vaid Vasudha , Khushbu  , Nikhil  , Dagar Nivaydita , Jindal Rajeev 
Published: December 2022

AbstractThis study reports the microwave synthesis of Guar gum (GG) and Carboxymethyl cellulose (CMC) based hydrogel covalently crosslinked using epichlorohydrin (epi), aiming to remove hazardous dyes like Crystal Violet (CV) and Brilliant Green (BG). The optimized parameters were the reaction time (40 s), solvent (12 ml), pH (11), the ratio of reactants (GG: CMC, 1 : 2), and crosslinker concentration (0.8 ml) resulting in the highest percentage of swelling (4215 %). The synthesized hydrogel was characterized by different techniques like FTIR, TGA, FESEM/EDX, and XRD. The adsorption ability of the synthesized hydrogel was assessed for the removal of toxic dyes. Different kinetic and isotherm models were used to evaluate the type of adsorption that occurred on hydrogel materials. The CV and BG were both removed in 96.78 and 94.01 % of the adsorption process, respectively. The pseudo‐second‐order kinetic model is the best‐fitted model for the adsorption of dyes on the synthesized hydrogel. Adsorption was determined to be homogeneous and physical adsorption, and it was revealed through adsorption isotherm studies that the Langmuir model was the best‐fitted model. The adsorption process for both dyes is spontaneous, as further confirmed by the negative values of the change in Gibbs free energy from 298 to 318 K. The synthesized hydrogel material was discovered to be a promising adsorbent to remove these toxic dyes from wastewater and can be used as an eco‐friendly and sustainable material for wastewater remediation
Electrografting a p‐Propylaniline/L–Cys Nanofilm onto a Glassy Carbon Electrode Resulting in Enhanced Electrosensing of Cd(II), Pb(II) and Hg(II)
Authors: Calvillo Solís Jonathan J. , Galicia García Mónica , González Bravo Felipe J. , Ortiz‐Ledón César A. 
Published: December 2022

AbstractA glassy carbon electrode (GCE) was chemically modified with p‐propylaniline/L–Cys molecules for the sensitivity determination of Cd(II), Pb(II) and Hg(II) in aqueous medium. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) characterized passivation of the electrode and 97.4 % surface coverage with p‐propylaniline/L–Cys molecules. Nanofilm coating was characterized by cyclic voltammetry (CV), atomic force microscopy (AFM), and Fourier transform infrared spectroscopy (FTIR) techniques to observe the surface morphology. The porous structure uniformly distributed thiol, amine and carboxylate groups throughout the coating to selectively coordinate and preconcentrate the three metal ions. Under the optimized conditions (deposition potential: −1 V vs. SCE, deposition time: 90s), square wave anodic stripping voltammetry (SWASV) electroanalysis results indicated the linear increment of electrochemical signals with an increase in the concentration of Cd(II), Pb(II) and Hg(II) in range of 2.5 to 30 μg L−1. Based on the calibration plot, limit of detection (LOD, 3σ/m) are 0.103 μg L−1, 0.055 μg L−1 and 0.01 μg L−1 respectively. Analysis of drinking and tap water samples demonstrated precision and accuracy of the electrode as a prospective sensor for analysis of more complex aqueous environmental matrices.
Synthesis of Co‐doped Cu2O Particles and Evaluation of their Photocatalytic Activity in the Degradation of Norfloxacin
Authors: Liu Zongbin , Yu Xiaojiao , Yang Fan , Wang Kai , Zhang Jian , Zhao Ningning , Chen Lei , Niu Jinfen 
Published: December 2022

AbstractAt present, the problem of water pollution has attracted widespread attention, especially the effective removal of antibiotics in water bodies. Compared with traditional water treatment processes, photocatalytic technology shows significant advantages. In this paper, Co‐doped Cu2O composite particles were prepared by solvothermal method. The structure and performance of the samples were characterized and tested by XRD, XPS, SEM, BET and UV‐Vis DRS, and the photocatalytic performance and photocatalytic mechanism of Co‐doped Cu2O particles were studied. The results show that the purity of the prepared sample is high, and its morphology has changed significantly. Compared with pure Cu2O, the specific surface area of Co‐doped Cu2O is increased, and the absorption intensity in the visible light range is significantly improved. The surface resistance of the doped sample is significantly reduced, and the separation efficiency of photogenerated electrons and holes is significantly improved. Among these samples, M2−Cu2O has the best photocatalytic performance, with a degradation rate of 76.8 %.
Rhodanine‐Incorporated Indole Derivatives as Pharmacologically Vital Hybrids
Authors: Upadhyay Rachana , Khalifa Zebabanu , Patel Divyesh , Patel Amit B. 
Published: December 2022

AbstractNowadays, some life‐threatening diseases keep individuals living in fear of death and experiencing health losses that were before unexpected. Therefore, there is an urgent need for the development of active pharmacological agents to minimize the injurious effect of such diseases. For that, numerous heterocyclic compounds and their hybrids have been designed, developed, and synthesized. They are also considered to be more effective against microorganisms that have developed multi‐drug resistance. 2‐Thioxo‐4‐thiazolidinone (rhodanine) and indole are regarded as advantageous heterocycles in medicinal chemistry. The pharmacological properties of rhodanine scaffolds can be improved by incorporating indole moieties. The present review expresses the pharmacological advances of rhodanine‐incorporated indole derivatives along with their structure‐activity relationships (SAR). To find novel drugs and combat serious diseases, we have observed that such hybrid structures are more effective pharmacophores than single motifs.
Tailor‐made FAU zeolite composite membrane for wastewater treatment
Authors: Chathurappan Raja , Anandkumar Jayapal 
Published: December 2022

AbstractIn this work, a novel multipurpose Faujasite (FAU) zeolite composite membrane was fabricated by in‐situ hydrothermal method to separate different solute molecules such as vanillic acid, phenol, and brilliant green from the aqueous solution. The coal fly ash based ceramic substrate was synthesized and used as substrate for preparing the zeolite composite membrane. The X‐ray diffraction (XRD) pattern confirmed the crystalline nature of membranes and the presence of Quartz and hematite in the composite membrane. The presence of Si‐O and Al‐O in zeolite coated composite membrane was confirmed by Fourier Transform infrared spectroscopy (FTIR) analysis. Scanning electron microscope (SEM) analysis showed the porous structure and 8.34 μm thickness of zeolite coating on membrane. The isoelectric point of composite membrane was observed at pH 2.07 through zeta potential analysis. Brunauer‐Emmett‐Teller (BET) surface area, average pore volume and pore diameter of zeolite composite membrane were estimated as 6.406 m2/gm, 0.0070 cm3/gm, and 4.371 nm, respectively. The hydraulic pore radius and porosity of composite membranes were 27.7 nm and 20.1%. The maximum separation efficiency of FAU zeolite composite membrane towards vanillic acid, phenol and brilliant green was estimated as 78.67%, 89.13%, and 94.28%, respectively, for 200 mg/L feed concentration at 276 kPa applied pressure. The results obtained in this study reveals that the multipurpose FAU zeolite composite membrane fabricated in this study can be effectively used for separation of various solutes molecules present in the wastewater.
Treatment, rehabilitation and release of a puma (Puma concolor) with sixth lumbar vertebra fracture
Authors: Ramos Guilherme Rezende , Rahal Sheila Canevese , Fernandes Michelle Colpani , da Silva Jeana Pereira , Mamprim Maria Jaqueline 
Published: December 2022

AbstractAn approximately 5‐month‐old, male puma (Puma concolor) was rescued after being hit by a vehicle on a highway. Radiographic examination revealed caudal endplate fracture of L6 and fissure of the vertebral arch with articular facet involvement. Conservative treatment was considered the most appropriate option due to the clinical signs, location and fracture type. The animal was confined in an enclosure that allowed limited mobility. On the 35th day after admission, a new radiographic exam showed signs similar to osteomyelitis. A 30‐day treatment with amoxicillin‐clavulanate was successful in resolving the suspected infection. At the same time, environmental enrichment was carried out by feeding living prey, which allowed the puma to be released into its natural habitat on the 79th day after admission.
Coagulation removal of nickel (II) ions by ferric chloride: Efficiency and mechanism
Authors: Linnikov Оleg D. , Rodina Irina V. , Zakharova Galina S. , Mikhalev Konstantin N. , Baklanova Inna V. , Kuznetsova Yulia V. , Germov Alexander Yu. , Goloborodskii Boris Yu. , Tyutyunnik Alexander P. , Fattakhova Zilara A. 
Published: December 2022

AbstractRemoval of heavy metal ions, in particular, divalent nickel ions from natural and wastewater, is of great importance for the environment. Nickel (II) ions are very toxic and provoke many diseases. The purpose of this work was to study the possibility of removing toxic nickel (II) ions from polluted water using an iron (III) chloride (FeCl3) coagulant. It is shown that the removal of nickel ions from aqueous solution by iron (III) hydroxide precipitate formed during the coagulation process at pH 7 and 8 is described with satisfactory accuracy by the classical adsorption isotherms of Freundlich, Langmuir, and Dubinin‐Radushkevich. The studies performed with the use of X‐ray powder diffraction and thermal analyses, IR, Raman, and Mössbauer spectroscopy have shown that the uptake of nickel ions by iron (III) hydroxide precipitate is due to simple physical adsorption and is not accompanied by the formation of mixed iron and nickel compounds. No alloying of the formed iron (III) hydroxide precipitate with nickel ions takes place either. The formed iron (III) hydroxide precipitate is a two‐line ferrihydrite having the gross formula Fe2O3 × 3H2O. Its sorption capacity for nickel ions is almost an order of magnitude higher than that of some mineral and carbon sorbents, and at pH 7 and 8, it is 60.5 and 141.9 mg/g, respectively.Practitioner Points
Coagulant FeCl3 cleans contaminated solutions from Ni(II) ions.
Iron (III) hydroxide precipitated at pH 7 and 8 is a two‐line ferrihydrite Fe2O3 × 3H2O.
Removing of Ni(II) ions is described by classical adsorption isotherms.
The most complete removal of Ni(II) ions occurs at pH = 8.
Assuring Measurement Quality in Person-Centered Care
Authors: Pendrill Leslie R. , Melin Jeanette 
Published: December 2022

AbstractThe quality-assurance of measurement in person-centered care (PCC) – is introduced firstly by “bookending” the topic in the overall context of the quality assurance of the care itself. At the start the chapter we ask: What are the end-user objects and constructs of PCC – for instance as specified by the profession and in legislation? At the end: What decisions about PCC objects and constructs can be made and how reliable are they? Examples and illustrations from PCC have included (i) neuropsychological cases (dealt with in more detail in the accompanying chapter by Melin and Pendrill (Person centered outcome metrology. Springer, 2022)) and (ii) patient participation. In the two central sections of the chapter, assuring the quality of measurement in PCC has obliged consideration of how traditional metrological concepts – particularly metrological references for comparability via traceability and reliable estimates of uncertainty – need to be extended. In providing an overview of the benefits of combining Rasch measurement theory and quality assurance, the unique properties of Rasch Measurement Theory are exploited to the full. Replacing the instrument at the heart of a traditional measurement system with a human being provides a truly “person-centered” model of the metrology. This in turn enables a viable procedure to establish metrological references in fields such as PCC in the form of “recipes” analogous to certified reference materials or procedures in analytical chemistry and materials science. It also informs the measurement uncertainties which determine the final decisions about PCC taken at the end of the chapter.
Generation of SU(3) sum rule for charmed baryon decay
Authors: Wang Di 
Published: December 2022

Abstract
Flavor SU(3) symmetry is a powerful tool to analyze charmed baryon decays. In this work, we propose an approach to generate SU(3) sum rules for the singly and doubly charmed baryon decays without writing the Wigner-Eckhart invariants explicitly. The SU(3) sum rules are computed routinely in several master formulas. Hundreds of SU(3) sum rules are found to serve as test of the flavor symmetry in the charmed baryon decays.