bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acute retigabine‐induced effects on myelinated motor axons in amyotrophic lateral sclerosis
Authors: Sleutjes Boudewijn T. H. M. , Stikvoort García Diederik J. L. , Kovalchuk Maria O. , Heuberger Jules A. A. C. , Groeneveld Geert Jan , Franssen Hessel , van den Berg Leonard H. 
Published: July 2022

AbstractAltered motor neuron excitability in patients with amyotrophic lateral sclerosis (ALS) has been suggested to be an early pathophysiological mechanism associated with motor neuron death. Compounds that affect membrane excitability may therefore have disease‐modifying effects. Through which mechanism(s), these compounds modulate membrane excitability is mostly provided by preclinical studies, yet remains challenging to verify in clinical studies. Here, we investigated how retigabine affects human myelinated motor axons by applying computational modeling to interpret the complex excitability changes in a recent trial involving 18 ALS patients. Compared to baseline, the post‐dose excitability differences were modeled well by a hyperpolarizing shift of the half‐activation potential of slow potassium (K+)‐channels (till 2 mV). These findings verify that retigabine targets slow K+‐channel gating and highlight the usefulness of computational models. Further developments of this approach may facilitate the identification of early target engagement and ultimately aid selecting responders leading to more personalized treatment strategies.
Building proactive organizational resilience against the risk of major process safety incidents
Authors: Qureshi Muhammad Mushahid R. 
Published: July 2022

AbstractMajor process safety incidents remain a key challenge to all industries involved in the handling, processing, manufacturing and transport of hazardous materials, including hydrocarbons. Over the past decade, there have been a number of incidents that have led to significant changes in the manner in which major industrial incidents are perceived and managed. Many companies adopt a traditional risk‐based approach when managing hazards. Larger organizations, such as oil and gas and petrochemical companies, can benefit from a proactive enterprise risk management (ERM) approach to build organizational resilience against potential threats to the business. While general risk management practices are focused on facility/asset level risks, the ERM approach offers a broader perspective when evaluating risks faced by businesses. The approach is flexible, dynamic, and cyclic in nature and provides a structured solution to the constantly evolving business risk environment. The results are intended to provide company executives with “a boardroom preview” of the risks faced and managed by the organization. This paper highlights the practical application of a six‐step ERM framework when assessing, analyzing, and recommending mitigation measures to bridge gaps related to managing major process safety risks. In addition, a structured methodology for the development and utilization of key risk indicators intended for continuous monitoring of process safety risks at a corporate level will be shared. Lessons learned from conducting this exercise will be discussed with practical advice on how to overcome commonly faced barriers.
Photocatalytic Degradation Performance of Fluorine and Nitrogen Co‐doped TiO2/AC Composites over Printing and Dyeing Wastewater under Visible‐Light Irradiation
Authors: Chen Zhen , Zhu Yingying , Xu Yang , Xia Zhenguo , Li Xinbao 
Published: July 2022

AbstractPrinting and dyeing wastewater is one of the difficult wastewater to treat because of its complex composition, difficult degradation, high color and high concentration of organic matter. At present, photocatalysis, a chemical treatment method, is playing an increasingly important role in the field of printing and dyeing wastewater treatment. To improve the photocatalytic degradation efficiency of TiO2 on printing and dyeing wastewater, F−N‐TiO2/AC composite photocatalysts were prepared by loading titanium dioxide (TiO2) particles onto activated carbon (AC) using an impregnation‐hydrothermal method and co‐doping with fluorine and nitrogen. The characterization results showed that the TiO2 particles were loaded onto the surface and pores of AC, which increased the specific surface area of the composite and the average particle size of the TiO2 particles was reduced by the co‐doping of fluorine and nitrogen. Using methyl orange solution to simulate dye wastewater, the highest degradation efficiency (100 %) of methyl orange was achieved via F−N‐TiO2/AC composite photocatalysts when the F/TiO2 molar ratio was 0.3 and N/TiO2 molar ratio was 0.5. The rate of adsorption reaction for methyl orange by F−N‐TiO2/AC followed the pseudo second‐order kinetic. The effects of the catalyst dosage, environmental pH and interferences in water on the degradation efficiency of the F−N‐TiO2/AC composite photocatalyst were then investigated. The photocatalytic degradation of methyl orange is well fitted by a first‐order kinetic model and the degradation rate is 0.09616 min−1, which is about 6 times higher than that of TiO2/AC composites. Meanwhile, the F−N‐TiO2/AC composite photocatalyst had good recycling performance and the degradation efficiency toward methyl orange was still >80 % after five times of repeated use.
Annulation of the Ugi Products Using Palladium Catalysts
Authors: Bagheri Maedeh , Mohammadsaeed Shirin , Gholamzadeh Parisa 
Published: July 2022

AbstractFor almost half a century of efforts to make them, the importance of Ugi products has substantially expanded because they are used as precursors for the synthesis of more complex structures, such as peptides, amino acids, pharmaceutical compounds, and heterocycles. Through the introduction of a double or triple bond along with a carbon‐halide bond in the starting materials, the Ugi adduct can be cyclized through Pd‐catalyzed intramolecular reactions to create sophisticated heterocycles. This article discusses the role of palladium in the catalytic cyclization of the Ugi adducts and covers the published research from 2000 to 2022. Moreover, the proposed mechanisms of Pd‐catalyzed annulation of Ugi adducts are also reviewed.
Preconcentration of Four Benzodiazepines Using a Magnetic Adsorbent Based on Fe3O4/Octanoic Acid Nanocomposite, and Their Quantification by HPLC‐UV
Authors: Azari Zhila , Pourbasheer Eslam , Bahar Shahriyar , Abdolmohammad‐Zadeh Hossein , Ganjali Mohammad Reza 
Published: July 2022

AbstractThe aim of this study is to apply the magnetic solid phase extraction and high performance liquid chromatography equipped with an ultraviolet detector for the simultaneous extraction of four mostly utilized kinds of drugs, Benzodiazepines, as acidic and basic drugs. Fe3O4/octanoic acid nanocomposite as adsorbent was synthesized during the facile one‐pot co‐precipitation method. The morphological, structural and magnetic characterization of the synthesized nanomaterial was carried out by different techniques. Main parameters, influencing the magnetic solid‐phase extraction efficiency, such as pH, the amount of Hexadecyltrimethylammonium bromide (HTAB), adsorbent amount, ionic strength, extraction time, and desorption conditions were optimized. To quantify the trace amounts of drugs, least amount of methanol was used for the proper elution and better preconcentration, while batch technique of extraction was used too. Under the optimized extraction conditions, the method proved to be effective due to the good linearity (10–5000 ng mL−1), low limits of detection (1.5–12.0 ng mL−1), and relatively high enrichment factors (118–132). The method was applied for monitoring of the benzodiazepines in urine, hair and water samples. In addition, the relative standard deviation was determined around 1.7–6.5, and the intra‐ and inter‐day precisions for five replications found lower 5 and 7 %, respectively. All attained results bring the suggested method in comparison with other before utilized methods.
Visible Light Driven Photodegradation of Pathological Effluents and Biological Evaluation of Green ZnO Nanoparticles
Authors: Peddada Lakshmi Madhuri , Sagurthi Someswar Rao , Guguloth Vijaya Charan , Annapragada Ratnamala , Kanuparthy Phani Raja 
Published: July 2022

AbstractZnO nanoparticles (NPs) are biosynthesized for the first time with the aqueous wheatgrass extract (WGE) using the solution combustion method. The synthesized nanoparticles were characterized by XRD, SEM, TEM, DLS, TGA, UV‐Vis. and FTIR. The synthesized ZnO NPs were crystalline, having a wurtzite structure, with an average particle size of 25 nm, confirmed from TEM and DLS. The biosynthesized ZnO NPs from WGE has shown excellent activity against Gram‐positive and Gram‐negative bacteria. They also exhibited good antioxidant and anti‐inflammatory activities with IC50 value of 4.63 μg/mL. When treated with MCF‐7 cell lines, these biosynthesized WGE ZnO NPs have shown a remarkable decline in the cell viability with IC50 value of 44.67 μg/mL. Under the visible light, crystal violet and safranin stains have shown excellent degradation at neutral pH without any reductant, indicating that these green WGE ZnO NPs can serve as a potential photocatalyst in treating wastewater effluents.
Enhanced Methanol Electrooxidation Performance Based on Pt Cluster‐Decorated CuCoO2 on Carbon
Authors: Xing Wanpei , Kong Lingwei , Zhang Xulei , Zhang Yan , Tu Xi , Yu Jia , Yang Jianhua , Zhou Chao , Zhu Wenhuan , Huang Jun 
Published: July 2022

AbstractNowadays, the high cost and poor durability of commercial catalyst Pt/C for methanol oxidation reaction have impeded the further development of direct methanol fuel cells. Herein, we firstly introduced a delafossite CuCoO2 to act as the support of noble metal Pt. The strong metal support interaction between Pt and CuCoO2, abundant hydroxide species and active sites on the surface of catalyst may be the key factors for enhanced performances of methanol oxidation. Pt‐CuCoO2/C achieved a mass activity of 1.16 A mgPt−1, which obtained 3.02 times enhancement compared with commercial Pt/C (0.38 A mgPt−1). The If/Ib value of Pt‐CuCoO2/C is 1.96, much higher than that of Pt/C (0.76), demonstrating favorable anti‐poisoning ability. After 200 times cycling, Pt‐CuCoO2/C still maintained 77.1 % of its initial activity, exhibiting superior COads intermediate tolerance and stability. Low cost, better performances and stability of Pt‐CuCoO2/C reveal that it can be seen as a hopeful catalyst.
Utilization of Waste and Renewable Material‐HCM as an Efficient Adsorbent for Heavy Metal Ions Removal: A Study of Adsorption Isotherms and Kinetics**
Authors: Aulakh Manpreet K , Kaur Harpreet , Bansal Mehak , Pal Bonamali , Singh Satnam 
Published: July 2022

AbstractThis work describes the method of extraction and characterization of hardness causing materials (HCM) from boiling tap water via distillation assembly. The obtained white colored powered material was then calcined at different temperatures. It was revealed that powder residue was mainly consisted of calcium carbonate at room temperature and decomposed majorly to CaO, confirmed using XRD, when calcined at 900 °C for about 4 h. Moreover, thermogravimetric analysis (TGA) showed single‐step decomposition in case of HCM‐900 °C whereas two‐step decomposition was observed for both HCM‐400 °C and HCM without calcination which can attributed to release of CO2 from CaCO3 and then decomposition of CaO in later cases. The SEM images showed crumbled type structure, flaked structure and disintegrated small‐sized round shaped agglomerated particles for HCM‐25 °C, HCM‐400 °C and HCM‐900 °C. In addition, the impact of adsorption of different heavy metal ions (Mn7+, Cr6+ and Ni2+) over HCM with different time intervals was studied. The Langmuir adsorption isotherm is the best fit adsorption isotherm for this work. The kinetics studies follow the second order reaction. The results revealed that the Mn7+ adsorbs at higher efficiency among all the metal ions at negatively charged surface of HCM‐ 900°C due to higher oxidation state of Mn7+.
Exciton Dynamics of MEH‐PPV polymer based Nanocomposites: Effect of Molecular Orbital Energy Levels of Nanoparticles**
Authors: Ashok Kumar Sangeetha , Periyasamy Bhuvana K 
Published: July 2022

AbstractExploring and investigating the strategies to improve quantum efficiency and photostability of light‐emitting polymers in polymer light‐emitting diodes is significantly an important topic of research. Thus this study endeavours towards the determination of the role of molecular orbital energy levels of metal oxide nanoparticles on the performance characteristics of hybrid nanocomposites. This work attempts to vary the proportions of zirconium dioxide (ZrO2) nanoparticles in nanocomposites of poly[2‐methoxy‐5‐(2’‐ethylhexyloxy)‐1,4‐phenylenevinylene] (MEH‐PPV), which leads to a six‐fold enhancement of luminescence quantum efficiency and increased radiative recombination rate due to an appropriate energy level alignment. An improvement in photostability was also reported due to a reduction in polymer chain defects, inhibition of moisture intervention and most importantly, impediment of the photo‐oxidation by controlling the triplet exciton dynamics. Thus, efforts are made to validate the role of energy levels of ZrO2nanoparticles in improving the luminescence quantum efficiency and photostability of MEH‐PPV compared to ZnO incorporated MEH‐PPV.
Construction of Three‐Dimensional In‐Zn‐Cd‐S Composite Materials and Their Visible‐Light Catalytic Performance
Authors: Gong Xiaoyu , Li Zhiqiang , Yu Minghui , Yu Hao , Wang Shuang , Shao Hongyu , Cheng Yuye , Dou Minghao , Li Danni , Li Shenjie , Chen Yanyan 
Published: July 2022

AbstractIn this paper, a simple template‐free one‐step hydrothermal method was used to construct three‐dimensional In−Zn−Cd−S composite materials. By changing the ratio of In3+/(Zn2++Cd2+) and controlling the band gap of semiconductor, a novel efficient and stable photocatalyst was designed. In−Zn−Cd−S composite showed good adsorption capacity and photocatalytic activity. When In3+/(Zn2++Cd2+) was equal to 1/5, the photocatalytic activity of the composite was the highest. The degradation rate of RhB could reach 92.6 % within 5 min, and 97.6 % after 15 min. The results of cyclic experiments show that the IZCS‐4 catalyst has good cyclic performance and structural stability. According to the free radical capture experiment, the main effect of IZCS‐4 on the photodegradation of organic pollutants is H+ and ⋅O2−. The enhanced photocatalytic activity of the alloy semiconductor material is mainly because it can effectively separate the photogenerated carriers and successfully inhibit the photocorrosion of In2S3 monomer.
Molecular Characterization of a South American Yellow Dye Source: Cosmos Sulphureus
Authors: Sabatini Francesca , Alcantara‐Garcia Jocelyn , Degano Ilaria 
Published: July 2022

AbstractDetermining the dye source used in ancient coloured textiles is challenging, especially if little information is available on the raw materials or traditional recipes of the geographical area. This is the case of South American dye sources and particularly of yellow ones, the widest and highest photo‐sensitive class. In this work, Cosmos sulphureus, an annual plant whose flowers were used for dyeing in nuances of red to yellow, was analysed. The petal content was analysed by high‐pressure liquid chromatography with a diode array detector (HPLC‐DAD) and high‐resolution mass spectrometer (HPLC‐HRMS) and sixteen compounds were identified, some of which had never been reported in Cosmos sulphureus. Not mordanted and mordanted yarns, dyed with Cosmos sulphureus petal extract and artificially aged, were analysed to assess the role played by the mordant and ageing. The information pointed at Cosmos sulphureus as the dye source in a yellow Chimú / Chancay textile (1000‐1047 AD).
Metallochromic Hydrazone‐Based Chemosensor with Application in a Colorimetric Paper Strip for Selective Detection of Cu2+
Authors: Sharmoukh Walid , Abdelrahman Meram S. , Shaban Elkhabiry , Khattab Tawfik A. 
Published: July 2022

AbstractA new tricyanofuranhydrazone‐based colorimetric chemosensor (TCFH) was synthesized and immobilized onto paper strips for selective detection of Cu2+ in aqueous environments. The synthesis strategy of TCFH involved an azo‐coupling process between the diazonium salt of 8‐aminoquinoline and an active methyl‐bearing tricyanofuran (TCF) heterocyclic moiety. Due to intramolecular charge transfer, TCFH chromophore demonstrated pronounced solvatochromism depending on the solvent polarity. Changes in both color and UV‐Vis absorption spectra demonstrated by the developed chemosensor proved that TCFH can be utilized to detect Cu2+ in the presence of other competing metallic cations and anions. The synthesized TCFH probe, which contains a hydrazone recognition moiety, demonstrates dramatic solvatochromic activity and high selectivity at the microlevel of copper ions with a color shift from yellow to purple. Moreover, test strips of TCFH were successfully developed and applied for the detection of copper ions at different concentrations in aqueous media. The colorimetric properties of the prepared TCFH‐immobilized paper strips were investigated by CIE Lab chromogenic parameters, colorimetric strength (K/S) and UV‐Vis absorbance spectra. The best detection of Cu2+ was achieved in the pH range of 6.6–7.4 demonstrating an immediate color switch relying on the total content of Cu2+. SEM was applied to characterize the deposition of tricyanofuranhydrazone onto the surface of the paper strip.
Synthesis of Coumarin 3‐aldehyde Derivatives via Photocatalytic Cascade Radical Cyclization‐Hydrolysis
Authors: Li Haiyan , Chen Long , Wang Tao , Xiong Fei 
Published: July 2022

AbstractNew synthetic method of coumarins 3‐aldehyde via visible light stimulation and oxidation promotion cascade radical cyclization/hydrolysis process is reported. this reaction involves a two‐step procedure, the 1,3‐dioxolane radical is initiated in situ from 1,3‐dioxolane via the excited Ru(bpy)3Cl2 and oxidant TBHP, subsequently an addition to triple bond of various alkynes produces vinyl radicals, the radical intermediates can smoothly convert to coumarin 3‐aldehyde via tandem cyclization/acidic hydrolysis process in good to excellent yields. Furthermore, the synthetic application valuable of coumarin 3‐aldehyde is also evaluated in this work.
Bromine‐Mediated C‐S Bond Formation: Synthesis of Thiazoles from α‐Methylene Ketones by Using Oxone Oxidative System
Authors: Wang Xingyi , Zhu Yue , Zhou Tingting , Yang Weiqing , Fu Haiyan , Chen Hua , Ma Menglin 
Published: July 2022

AbstractA novel method for the synthesis of various 2,4,5‐trisubstituted thiazoles from methylketones and thiourea/thioacetamide/amidinothiourea using NaBr/Oxone oxidative system has been developed. The three intimately connected advantages of this method, which form a whole, are that the reaction underwent a one‐pot α‐bromination/cyclization process, the use of more common methylene ketones as the raw material rather than α‐halomethylene ketones and a cheap and easily available catalytic amount sodium bromide as the bromine source instead of stoichiometric bromine or NBS.
Gold‐Catalyzed Synthesis of Spirocycles: Recent Advances
Authors: Ganguly Somnath , Bhakta Sayantika , Ghosh Tapas 
Published: July 2022

AbstractDifferent types of gold‐catalysts with additives yielded high enantioselective and stereoselective spiro carbocyclic and spiro heterocyclic scaffolds. Gold‐catalyzed spirocyclization proceeds through key intermediates like gold‐alkyne and gold‐allene complex which give direct access to spiro products via cyclization, dearomatization, hydroamination, hydroalkoxylation, cascade reaction, etc. This review article aims to provide an overview of gold‐catalyzed reactions for the formation of spirocycles from various substrates, mentioning methodologies, applications, and mechanistic insights.
Revisiting Classical Pummerer Cyclization Reaction: A Key Strategy for the Synthesis of (±)‐Quinagolide
Authors: Chavan Subhash P. , Kawale Sanket A. , Tripathi Anupam , Kadam Appasaheb L. , Gonnade Rajesh G. 
Published: July 2022

AbstractA formal synthesis of (±)‐quinagolide using β‐alanine as a starting material has been achieved. Late stage intramolecular classical Pummerer reaction has been used as a key synthetic tool to construct octahydrobenzo[g]quinoline skeleton of quinagolide. Conjugative reduction of olefin, regioselective C‐alkylation over O‐alkylation of β‐ketoester followed by retro‐Dieckmann/ Dieckmann reaction sequence has been used as a key reaction sequence to achieve prerequisite sulfoxide for the Pummerer reaction. While revisiting the classical Pummerer reaction, the one‐pot sequential thionium ion induced cyclocarbamation followed by N‐carbamate deprotection and Friedel‐Crafts type Pummerer cyclization was observed as an important finding of the present work.
Naphthol green B Removal using a Novel Hydrogel Composite: Thermodynamics, Isotherms, Kinetics and Optimization by RSM
Authors: Pıhtılı Güzin , Tanyol Mehtap , Birkan Kubra 
Published: July 2022

AbstractIn this study, the efficiency of the Poly(4‐vinylpyridine‐co‐acrylamide) doped with EuCl3 {(Poly(4‐VP‐co‐AAM)/EuCl3)} hydrogel synthesized in the laboratory by free radical in‐situ polymerization method in removing naphthol green B (NGB) from wastewater was investigated. The structural properties of the adsorbent have been described by Fourier transform infrared spectroscopy (FT‐IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and X‐ray diffraction (XRD) analyses. The dependence of NGB adsorption performance on varying such as the amount of adsorbent, initial NGB concentration and contact time were investigated in a batch system. To determine the interaction effects of the selected parameters on the adsorption process and to optimize the adsorption capacity of the process, the central composite design (CCD) in the response surface methodology (RSM) was used. Optimum conditions were found to be 110 mg/L NGB concentration, 0.05 g/100 mL Poly(4‐VP‐co‐AAM)/EuCl3/EuCl3 dosage and 165.81 min contact time. The adsorption capacity and removal efficiency under these conditions were 206.46 mg/g and 92.50 %, respectively. Experimental equilibrium data were in better agreement with the Langmuir isotherm. The kinetic results indicated that the adsorption process can be defined by pseudo‐second‐order kinetic with internal diffusion as one of the rate‐determining steps. The adsorption process was found to be exothermic and spontaneous. Experimental results showed that dye can be successfully removed from wastewaters using Poly(4‐VP‐co‐AAM)/EuCl3 hydrogel as adsorbent.