bluuebunny/crossref_metadata_2025_split huggingface dataset:
Activity, selection response and molecular mode of action of the isoxazoline afoxolaner in Tetranychus urticae
Authors: Mermans Catherine , Dermauw Wannes , Geibel Sven , Van Leeuwen Thomas 
Published: September 2022

AbstractBACKGROUNDAfoxolaner is a novel representative of the isoxazolines, a class of ectoparasiticides which has been commercialized for the control of tick and flea infestations in dogs. In this study, the biological efficacy of afoxolaner against the two‐spotted spider mite Tetranychus urticae was evaluated. Furthermore, as isoxazolines are known inhibitors of γ‐aminobutyric acid‐gated chloride channels (GABACls), the molecular mode of action of afoxolaner on T. urticae GABACls (TuRdls) was studied using functional expression in Xenopus oocytes followed by two‐electrode voltage‐clamp (TEVC) electrophysiology, and results were compared with inhibition by fluralaner, fipronil and endosulfan. To examine the influence of known GABACl resistance mutations, H301A, I305T and A350T substitutions in TuRdl1 and a S301A substitution in TuRdl2 were introduced.RESULTSBioasassays revealed excellent efficacy of afoxolaner against all developmental stages and no cross‐resistance was found in a panel of strains resistant to most currently used acaricides. Laboratory selection over a period of 3 years did not result in resistance. TEVC revealed clear antagonistic activity of afoxolaner and fluralaner for all homomeric TuRdl1/2/3 channels. The introduction of single, double or triple mutations to TuRdl1 and TuRdl2 did not lower channel sensitivity. By contrast, both endosulfan and fipronil had minimal antagonistic activities against TuRdl1/2/3, and channels carrying single mutations, whereas the sensitivity of double and triple TuRdl1 mutants was significantly increased.CONCLUSIONSOur results demonstrate that afoxolaner is a potent antagonist of GABACls of T. urticae and has a powerful mode of action to control spider mites. © 2022 Society of Chemical Industry.
Catalyzing systemic movement of inward rectifier potassium channel inhibitors for antifeedant activity against the cotton aphid, Aphis gossypii (Glover)
Authors: O'Hara Flinn M , Liu Zhijun , Davis Jeffrey A , Swale Daniel R 
Published: September 2022

AbstractBackgroundThe cotton aphid, Aphis gossypii Glover (Hemiptera: Aphididae), is a destructive agricultural pest, capable of photosynthate removal and plant virus transmission. Therefore, we aimed to test the antifeedant properties of small‐molecule inhibitors of inward rectifier potassium (Kir) channels expressed in insect salivary glands and develop an approach for enabling systemic movement of lipophilic Kir inhibitors.ResultsTwo Kir channel inhibitors, VU041 and VU730, reduced the secretory activity of the aphid salivary glands by 3.3‐fold and foliar applications of VU041 and VU730 significantly (P < 0.05) increased the time to first probe, total probe duration, and nearly eliminated phloem salivation and ingestion. Next, we aimed to facilitate systemic movement of VU041 and VU730 through evaluation of a novel natural product based solubilizer containing rubusoside that was isolated from Chinese sweet leaf (Rubus suavissimus) plants. A single lower leaf was treated with Kir inhibitor soluble liquid (KI‐SL) and systemic movement throughout the plant was verified via toxicity bioassays and changes to feeding behavior through the electrical penetration graph (EPG) technique. EPG data indicate KI‐SL significantly reduced ability to reach E1 (phloem salivation) and E2 (phloem ingestion) waveforms and altered plant probing behavior when compared to the untreated control. High‐performance liquid chromatography (HPLC) analysis indicated the presence of VU041 and VU730 in the upper leaf tissue of these plants. Together, these data provide strong support that incorporation of rubusoside with Kir inhibitors enhanced translaminar and translocation movement through the plant tissue.ConclusionThese data further support hemipteran Kir channels as a target to prevent feeding and induce toxicity. Further, these studies highlight a novel delivery approach for generating plant systemic activity of lipophilic insecticides. © 2022 Society of Chemical Industry.
Hectogram‐scale synthesis of [Aib8, Arg34]‐GLP‐1 (7–37) by liquid‐phase fragment condensation
Authors: Zhang Jinhua , Zhao Mengjia , He Yufeng , Dong Yuanzhen 
Published: September 2022

Based on small‐scale synthesis (0.3 g), a 100‐g scale‐up synthesis of crude [Aib8, Arg34]‐glucagon‐like peptide‐1 (GLP‐1) (7–37) was completed. The crude [Aib8, Arg34]‐GLP‐1 (7–37) was purified using a dynamic axial compression column 200 (DAC‐200). Approximately 61 g of [Aib8, Arg34]‐GLP‐1 (7–37) with a purity of >99% was obtained through one‐step reverse‐phase chromatography. The purification yield was approximately 92%. The yield from the total reaction was approximately 60%. In summary, we developed an economical and environmentally friendly route to the synthesis and purification of crude [Aib8, Arg34]‐GLP‐1 (7–37), laying a foundation for subsequent industrial production.
Inference for constant stress accelerated life test under the proportional reverse hazards lifetime distribution
Authors: Wang Xiaofei , Wang Bing Xing , Liang Wenjuan , Jiang Peihua 
Published: September 2022

AbstractIn this paper, we consider small sample statistical inference methods for the constant stress accelerated life test (CSALT) under the proportional reverse hazards family (PRHF). The model parameters are assumed to be the exponential functions of the stress. The generalized confidence intervals (GCIs) are derived for the model parameters and some commonly used reliability metrics such as the quantile and the reliability function of the lifetime at the designed stress level. The generalized prediction interval (GPI) is also proposed for the future failure time (FFT) and the remaining useful life (RUL) at the designed stress level. The Monte Carlo simulation study for the generalized Lindley distribution (GLD) and the inverse Weibull distribution are used to illustrate the performance of the proposed GCIs and GPI. The simulation results indicate that the performance of the proposed GCIs and GPI is better than the Wald confidence intervals (CIs) and bootstrap‐p CIs in terms of the coverage probability (CP). Finally, a real example is used to illustrate the developed procedures.
Exploring of catalytic oxygen reduction reaction activity of lattice carbons of vanadium and niobium doped nitrogen codoped carbon nanotubes by density functional theory
Authors: Kuzmin Anton V. , Shainyan Bagrat A. 
Published: September 2022

AbstractThe oxygen electroreduction mechanism on the V‐ and Nb‐doped nitrogen‐codoped (6,6)armchair carbon nanotube with incorporated MN4 fragment has been studied using the ωB97XD and PBE density functional theory approaches. The metal center in MN4 fragment and the adjacent NCCN double bond (C2 site) of the support have been revealed as active centers. The metal active centers turned out to be irreversibly oxidized at the first step of ORR affording stable O*, 2O*, or O*HO* adsorbates depending on the applied electrode potential U, that makes them no longer active in ORR. Therefore, the C2 site comes at the forefront in ORR catalysis. Among the metal oxidized forms M(O)N4, M(O)(O)N4, and M(O)(OH)N4CNT, the C2 site of the latter turned out to be most active for 4e dissociative ORR. For both metals the last protonation/electron transfer step, HO* + H* → H2O, is the rate‐limiting step. The alternative hydrogen peroxide formation is not only thermodynamically less favorable but also kinetically slower than the 4e dissociative ORR route on the C2 site of model M(O)(OH)N4CNT catalyst.
Phosphorous‐modified Porous Carbon Supported Nickel Nanoparticles as a Catalyst for the Reduction of Nitroaromatics in Water
Authors: Tavakol Hossein , Abedi Behnam 
Published: September 2022

AbstractPhosphorus‐modified porous carbon (PCP) with about 7 w% phosphorus content has been prepared from acetylene and triphenylphosphine using chemical vapor deposition method. Then, 5, 10, 15, 20, 25, and 30 w% nickel(0) nanoparticles have been deposited (using the in‐situ reduction of NiCl2 salt) on the surface of PCP to obtain Ni‐decorated PCP (NPCP). The prepared materials (NPCP) have been employed as a catalyst for the catalytic reduction of nitrobenzene derivatives to anilines. The NPCP with 20 w% of Ni showed the highest catalytic efficiency. The reaction was carried out using 10 mg catalyst, 2 mL of 25 % hydrazine hydrate solution as the reducing agent in 2 h (optimized conditions) to obtain the product in 51–100 % yield. To show the versatility of this method, 8 nitrobenzene derivatives (including 3 different nitrophenols) have been successfully reduced using this method. The recyclability of the catalyst was investigated and the results showed only 20 % decreasing in the yield after 6 runs.
Synthesis of Reduced Graphene Oxide by Ethyl Acetate and Its Utilization in Determining Hydroxychloroquine in Wastewater and Pharmaceutical Samples
Authors: Matrouf Mustapha , Loudiki Abdelwahed , Alaoui Ouafa Tahiri , Laghrib Fathellah , Farahi Abdelfettah , Bakasse Mina , Saqrane Sana , Lahrich Sara , El Mhammedi Moulay Abderrahim 
Published: September 2022

AbstractAn easy and sensitive sensor made by carbon paste modified with reduced graphene oxide rGO‐CPE was developed for the detection of hydroxychloroquine (HCQ). Graphene oxide GO was reduced using ethyl acetate. Scanning electron microscope and X‐ray diffraction (XRD) were used for the characterization of rGO powder. The reduction of graphene oxide was confirmed by the disappearance of the identical peak of graphite in the XRD pattern. Herein, the modified electrode rGO‐CPE showed stronger electrochemical activity compared to bare CPE. The electrochemical behavior of HCQ was studied by cyclic voltammetry, electrochemical impedance spectroscopy, and chronoamperometry. The mechanism of the HCQ oxidation in the surface of rGO‐CPE was found to be controlled by an adsorption process with the transfer of 2 electrons. Furthermore, the standard heterogeneous rate constant (Ks) and the surface concentration of electroactive species (Γ) were calculated and the obtained values are 1.03×10−2 cm s−1 and 1.07×10−10 mol cm−2, respectively. Differential pulse voltammetry was used for HCQ quantification as a result a linear relationship between HCQ concentration and the oxidation peak current was obtained in the range from 1.0×10−7 to 8.0×10−6 mol L−1 and from 8.0×10−6 to 1.0×10−4 mol L−1, with a detection limit (LOD) of 6.29×10−8 mol L−1 and a sensitivity of 6.42 A L mol−1 cm−2. Moreover, the rGO‐CPE was successfully applied for the detection of HCQ in wastewater and pharmaceutical samples.
Synthesis and Overall Migration Study of Chitosan‐Encapsulated ZnO‐Based ESO Bionanocomposite with Synergistic Antimicrobial Activity for Packaging Purpose.
Authors: Panda Shiv kumari 
Published: September 2022

AbstractCurrent report deals with the successful synthesis and characterization of bionanocomposites from Epoxidized soybean oil matrix reinforced with Chitosan (CS) encapsulated ZnO nanoparticle in different compositions by using simple sonication method. Then they are pressed by using a mold for fabrication of nanocomposite. The properties like mechanical, thermal, water absorption tendency, biodegradability, water contact angle characteristics and antibacterial activity of the cured bionanocomposites have been performed. The cured bionanocomposites demonstrated significant improvement in all of the above properties due to the nanofiller reinforcement. This nanocomposite confirmed a progress in the mechanical properties with good temperature forbearance due to this reinforcement. For determination of the presence of functional groups as well as surface morphology of the prepared bionanocomposite, it was characterized by FTIR and SEM. FTIR analysis proved the presence of strong hydrogen bonding among the polar groups of the bioresin and the hydroxyl groups of the synthesized nanoparticle. Again the study of overall migration tendency with enhanced biodegradability and antibacterial activity, the nanocomposite has proved its candidature for food packaging applications. This novel bionanocomposite is biodegradable, recyclable and can strongly establish its potentiality for multiple applications in different fields with various atmospheric conditions at a particular concentration of the CS encapsulated ZnO nanofiller.
Ozone in Polar (Acetonitrile) and Nonpolar (Carbon Tetrachloride) Organic Liquids: Optical Absorption, Solubility, and Stability
Authors: Ershov Boris G. , Panich Nadezhda M. 
Published: September 2022

AbstractThe optical characteristics, solubility, and decomposition kinetics of ozone in polar (acetonitrile, CH3CN) and nonpolar (carbon tetrachloride, CCl4) liquids in the temperature range 233.15–295.15 K were studied. The rate constants of the O3 decomposition at 295.15 K in CH3CN and CCl4 are 3.3×10−5 and 5.0×10−5 s−1, respectively. At low temperatures, ozone solutions are practically stable. The solubility coefficients at 295.15 K are 2.6 in CH3CN and 2.9 in CCl4; at 233.15 K, they increase to approximately 7.0. Thus, these two liquids have a set of properties making them optimum for studying the ozonolysis in polar and nonpolar media.
Methanol‐to‐Light Olefins Reaction using Zn‐Ag Modified SSZ‐13 Catalyst
Authors: Dange Rutvija M. , Gawali Chirag B. , Niphadkar Prashant S. , Bokade Vijay V. , Nandanwar Sachin U. 
Published: September 2022

AbstractThe 2 wt.% of Zn and Ag (Zn1‐x‐Agx; x=0.2, 0.4, 0.6 %) modified SSZ‐13 (SZ‐13) zeolite was prepared by wet‐impregnation method, and its catalytic activity was demonstrated for methanol‐to‐olefin (MTO). The Zn0.6‐Ag0.4/SZ‐13 catalyst exhibited high catalytic activity due to change in properties of catalyst. The Zn particles were highly dispersed inside the SZ‐13; while Ag particles were dispersed on the surface of SZ‐13, confirmed by HRTEM and surface area. The small % of Ag over SZ‐13 promotes ethylene production via aromatization of reaction, and highly dispersed Zn on SZ‐13 help to produce stable ethylene and propylene. The Zn0.6‐Ag0.4/SZ‐13 catalyst showed (∼10 %) higher light olefin (87 %) selectivity than parent SZ‐13 as well as mono metal incorporated SZ‐13. The higher catalytic activity was attributed due to effect of both metals (Zn and Ag), where Ag promotes partial aromatization on the surface, and Zn increases the Lewis acidity in the zeolite pore. This catalyst can help to improve the selectivity of light olefin using MTO reaction.
Syntheses and Preferred Structure Elucidation of N‐heterocyclic Imine Nickel and Cobalt Catalysts for MMA Polymerization
Authors: Su Biyun , Yang Dou , Liu Bo , Liu Zhijun , Yan Tingyu , Dong Ranran , Huang Aiyu , Wang Li , Ding Liqin 
Published: September 2022

AbstractHere, L1 (2‐(pyridin‐2‐yl)quinoxaline) and L2 ((1‐((1H‐pyrrol‐2‐yl)ethylidene)benzene‐1,2‐diamine) ⋅ (1‐(1H‐pyrrol‐2‐yl)ethanone)) were synthesized and reacted with CoCl2 ⋅ 6H2O and NiCl2 ⋅ 6H2O to produce complexes 1–4. We found several interesting pieces of crystal structure information. Firstly, ligands L1 and L2 with completely different molecular structures were obtained by reacting the precursors containing similar N‐heterocycles with 1,2‐diaminobenzene. Secondly, in methanol and DMF solvents, 1 showed two structures, the binuclear and mononuclear cobalt complexes 1 a and 1 b. Finally, the structure of 4 showed the formation of a new 2 : 1 type ligand at eutectic L2 in the presence of a Ni2+ template. Upon treatment with AIBN, 1–4 showed moderate to high activities for MMA polymerization, producing PMMA with low to high molecular weights (2.02∼73.03×104 g⋅mol‐1) and moderate dispersity indices (PDI: 1.72∼3.32). Moreover, 1 b displayed higher catalytic activities (up to 1.138×105 g mol−1 ⋅ h−1), which was 20 times higher than that of 3 and more than 7 times higher than that of 1 a.
Bifunctional Activity of PVP K‐30 Assisted Cobalt Molybdate for Electrocatalytic Water Splitting**
Authors: Dalai Namita , Dash Barsha , Jena Bijayalaxmi 
Published: September 2022

AbstractHydrogen fuel has emerged as pollution free renewable energy source and is a better substitute for carbon‐based fossil fuels. Now it is a big challenge for research community to produce green efficient hydrogen fuel in order to fulfil the demand of our daily need. Water splitting process is a highly recognized way of hydrogen production and storage. The fabrication of efficient electrocatalyst is highly desirable for water splitting application. Structure directing groups play an unique role in controlling the size, and morphology of nanoparticles which ultimately affects the efficiency. Here we report a cost‐effective CoMoO4 electrocatalyst, which was synthesized by an easy chemical co‐precipitation method in presence of organic polymeric surfactant K‐30. It has a rod shape morphology. CoMoO4 electrocatalyst exhibits high OER activity with low overpotential of 240 mV at 10 mA cm−2 and low Tafel slope value, 75 mV/dec and stability of 10 h. The electrocatalyst also exhibits better HER activity with over potential of 224 mV at 10 mA cm−2 and Tafel slope value of 104 mV/dec and stability of 8 h.
Carbon‐Based Nanomaterials for Cancer Treatment and Diagnosis: A Review
Authors: Thomas Dieney Thresia , Baby Anjana , Raman Vidya , Balakrishnan Sreeja P 
Published: September 2022

AbstractEarly detection and treatment is a successful method to fight against cancer. The use of conventional methods often limits the early‐stage detection of the same. Nanotechnology, especially nanomedicine, has become an evolving field in research today. Nanoparticles, with their diverse application in medicine, have grown tremendously. Despite their physicochemical properties, the toxicity of nanoparticles in living organisms has helped the scientific community develop these nanoparticles for cancer treatment. In this review, we highlight the two different types of synthesis of nanoparticles: Top‐down and Bottom‐up approaches, many instances of various techniques and other inorganic nanoparticles that are good platforms for bioimaging and biosensing applications, drug delivery nanocarriers for specific tumor targeting, thereby reducing the toxicity to healthy tissues and Photodynamic therapy (PDT) and Photo Thermal Therapy (PTT), their mechanism and nanoparticles and examples of their surface functionalization used in cancer treatment.
Synthesis of 3‐Hydroxy‐2‐oxindole and 2,5‐Diketopiperazine Cores as Privileged Scaffolds of Indole Alkaloids
Authors: Karpe Sameer A. , Mondal Dhananjoy 
Published: September 2022

AbstractThe diverse biological activities of synthetically and naturally occurring molecules containing functionalized 2,5‐diketopiperazines and/or 3‐hydroxy‐2‐oxindoles have sparked an interest in medicinal chemistry. This paper describes the Barbier reaction‐mediated synthesis of 3‐substituted‐3‐hydroxy‐2‐oxindole from commercially available isatin and the construction of spiro‐epoxy‐2‐oxindole via (E)‐selective olefin installation at the C3‐position of N‐methylisatin followed by epoxidation reaction. It also includes the formation of 2,5‐diketopiperazine scaffolds from amino acid derivatives via amide coupling reaction. The synthesis of these “privileged cores” has been reported herein as key precursors to the accessibility of several complex alkaloid series of natural products, such as maremycins and other structurally related and medicinally significant natural and their synthetic analogues.
Synthesis of Pyridyl‐Imine Complex of Iron(III) as a Fluorescent Sensor for Hydrazine Detection Based on Redox Chemistry
Authors: Yu Jie , Zhang Haiqi , Tam Chun Fai , Wong Wing‐Leung 
Published: September 2022

AbstractA six‐coordinated iron(III) pyridyl‐imine complex was synthesized by one‐pot reaction and was demonstrated as a fluorescent sensor for the detection of hydrazine in solution based on the redox reaction. The fluorescence signal generated was attributed to the reduction of the oxidative iron‐center of Fe(III) to Fe(II) by the reductive hydrazine. A good linear relationship for the analysis of hydrazine was obtained with the concentration range of 0.06–0.15 mM (R2=0.99114) in DMF solution. The limit of detection (LOD) estimated was 14.8 μM and the limit of quantitation (LOQ) was 49 μM. Moreover, the color change of the iron(III) pyridyl‐imine complex solution from dark green to reddish brown was able to observed by naked eye, indicating that the Fe(III)‐complex may be also utilized as a colorimetric sensor for hydrazine at millimolar level. The present study demonstrated an interesting fluorescent sensing system based on redox chemistry of an iron(III) complex that generated fluorescence response upon reacting with its redox pair such as the reducing agent hydrazine.
Intermolecular Interactions between Nitrosourea and Polyoxometalate compounds
Authors: Mohammadi Mohsen Doust , Abbas Faheem , Louis Hitler , Afahanam Lucy E. , Gber Terkumbu E. 
Published: September 2022

AbstractHerein, the aim of this work was to investigate the intermolecular interactions between polyoxometalate (POMs) as a drug‐delivery system with nitrosourea at different sites: CH3, COOH, NH2, NO2 and OCH3 using density functional theory (DFT) at the M062X/LanL2DZ level of theory. The result showed that, the lowest bond lengths recorded for the adsorbate and the nanocage were 1.40Å, 1.64Å, 1.40Å and 1.57Å for NU/POM(CH3), NU/POM(NH2), NU/POM(NO2) and NU/POM(OCH3) respectively. The NU/POM(NO2) system had the highest adsorption energy in the three phases: −32.039, −26.95, and −29.38 kcal/mol for gas, solvent, and benzene respectively and the lowest was shown in NU/POM(OCH3) with −14.10, −10.33, −12.29 kcal/mol. The energy gap was found to be the highest in NU/POM(NO2) with 5.061eV followed by NU/POM and NU/POM(COOH) 4.020eV and 4.003eV respectively. It has been clearly shown that NU/POM(NO2) density peak in the Highest occupied molecular orbital and Lowest unoccupied molecular orbital (HOMO/LUMO) plot was above 5 and this go in line with the electronic properties possessing a stable nature. In the NBO analysis, after adsorption of the nitrosourea (NU), the NU/POM(NO2) system recorded the highest energy with 1309.42 kcal/mol and the lowest in NU/POM(OCH3) with 921.75 kcal/mol. The system with NO2 possess more stability, chemical hardness, electrophilicity index and strong interactions. It has a better surface interaction than other compounds found in Nitrosourea.
IR783 Encapsulated in TR‐Conjugated Liposomes for Enhancing NIR Imaging‐Guided Photothermal and Photodynamic Therapy**
Authors: Lv Jiajia , Li Hongyu , Yang Mingyan , Li Xinmin , Gao Jie , Yuan Zeli 
Published: September 2022

AbstractAn integrin αvβ3‐specific liposomes (TR‐LPs) were designed for loading IR783 to enhance NIR imaging‐guided photothermal and photodynamic therapy (PTT and PDT). TR‐LPs was composed of soyabean phosphatidylcholine, cholesterol, DSPE‐PEG, and TR‐functionalized DSPE‐PEG. IR783, NIR photo‐diagnostic agents, were encapsulated in the hydrophilic core of the TR‐LPs. DSPE‐PEG had ability of reducing the absorption of TR‐LPs by the reticuloendothelial system and increase the cycle time in body. RGD fragment on the TR peptide enhanced the tumor selectivity of liposomes by specifically targeting integrin αvβ3‐overexpressing cancer cells. Simultaneously, the rest of fragment on the TR peptide can be changed to the positive charge in the tumor microenvironment (pH 6.5), improving cellular uptake of the nanophotoagents. TR‐LPs exhibited favorable physical and chemical stability, loading capacity, biocompatibility and tumor targeting in vitro and in vivo. IR783‐TR‐LPs is promising as a potentially safe and effective phototherapeutic agents for NIR fluorescence‐guided tumor therapy applications.