bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanochemistry as a Sustainable Method for the Preparation of Fluorescent Ugi BODIPY Adducts
Authors: Pérez‐Venegas Mario , Arbeloa Teresa , Bañuelos Jorge , López‐Arbeloa Iñigo , Lozoya‐Pérez Nancy E. , Franco Bernardo , Mora‐Montes Héctor M. , Belmonte‐Vázquez José L. , Bautista‐Hernández Claudia I. , Peña‐Cabrera Eduardo , Juaristi Eusebio 
Published: January 2021

AbstractMechanochemistry, that is, the use of mechanical energy produced by milling or grinding to perform chemical transformations, was used as a green strategy using a minimal amount of solvent for the preparation of highly valuable formyl functionalized BODIPY dyes. The electronic properties of the meso‐aryl group play a key role in the fluorescence response of the adducts resulting from the Ugi reaction. Such an understanding of the molecular structure‐fluorescence interplay explains the brightness of these dyes in the cellular media monitored by fluorescence imaging. In the present report, we provide flow cytometry and fluorescence microscopy evidence that the novel dyes efficiently stain peripheral blood mononuclear cells (PBMCs) and Candida albicans cells without disturbing cell integrity. Moreover, it is demonstrated that by staining C. albicans cells, we can monitor the early and late steps of phagocytosis, using human monocyte‐derived macrophages. The dye series presented herein represent a novel application for formyl functionalized BODIPYs, expanding their applications in monitoring biological processes.
Decarbonylative Issues Involved in Ru(II)‐Catalyzed [6+2−1] Annulation Reaction of Hydroxychromone with Alkyne: A DFT Study
Authors: Ling Baoping , Wang Jiarong , Liu Yuxia , Jiang Yuan‐Ye , Liu Peng , Feng Jin , Bi Siwei 
Published: January 2021

AbstractDensity functional theory calculations have been performed to explore the Ru‐catalyzed decarbonylative annulation reaction of 3‐hydroxy‐2‐phenyl‐chromone with an alkyne to synthesize spiroindenebenzofuranones. A Ru(II)−Ru(0)−Ru(II) rather than a Ru(II)−Ru(IV)−Ru(II) transformation was found involved in the decarbonylation process, which is responsible for the sequence of alkyne insertion/decarbonylation. Oxidative addition of C(carbonyl)−C(carbonyl) bond to Ru(0) and the Ru(II)−C(sp2) bond formation were confirmed to be favorable for the decarbonylation, meanwhile oxidative addition of C(carbonyl)−C(carbonyl) bond to Ru(0) is likely to be the rate‐determining step for the entire catalytic cycle. It is predicted that the regeneration of the catalyst was achieved by the oxidation of air oxygen in the absence of other oxidants. The current theoretical study provides new insights into the decarbonylative annulation.
Lewis Acid‐Catalyzed Nucleophilic Substitutions of Benzylic Alcohols with Sulfamides
Authors: Oda Ryoga , Nakata Kenya 
Published: January 2021

AbstractNucleophilic substitutions of benzylic alcohols with sulfamides were achieved using an FeCl3 Lewis acid catalyst in MeNO2. It was necessary to adjust the reaction conditions to obtain efficient yields depending on the stability of the carbocation intermediates. The reaction could easily be performed, and it was revealed that a variety of diarylmethanols and benzylic alcohols were applicable to the reaction, irrespective of the type and position of the substituents. The sulfamide moieties were easily deprotected and converted into amine groups.
Two‐Step Protocol for Iodotrimethylsilane‐Mediated Deoxy‐Functionalization of Alcohols
Authors: Chen Yuming , He Ru , Song Hongjian , Yu Guoqing , Li Chenglin , Liu Yuxiu , Wang Qingmin 
Published: January 2021

AbstractWe have developed a two‐step protocol for iodotrimethylsilane‐mediated deoxy‐functionalization of primary and secondary alcohols to afford products containing a C−N, C−S, or C−O bond. In the first step the alcohol undergoes iodination with iodotrimethylsilane, and in the second, the iodine atom is replaced by a N, S, or O nucleophile. Compared with traditional Mitsunobu reaction, non‐acidic pre‐nucleophiles can be used, and the reaction proceeds with retention of configuration. This operationally simple, highly efficient protocol can be used for some natural products and small‐molecule drugs containing hydroxy‐group.
Controlling γ‐Peptide Helicity with Stereoselective Fluorination
Authors: Lawer Aggie , Hunter Luke 
Published: January 2021

AbstractPeptides that are composed of backbone‐extended amino acids can adopt conformations resembling natural α‐peptidic motifs, making them promising scaffolds for biological and medicinal chemistry. In order to unlock the full potential of this class of molecules, the ability to control their secondary structures is essential. Here we show that stereoselective fluorination can be harnessed as a tool for influencing the helical character of a γ‐hexapeptide. Fluorination is shown to either stabilize or disrupt the 9‐helical conformation depending on the C−F stereochemistry, and fluorination also sets the handedness of the helix. These results provide fundamental knowledge that could expedite the future development of backbone‐extended peptides for medicinal applications.
Perfluorophenyl‐Perfluorophenyl Stacking‐Promoted Aggregation‐Induced Emission Enhancement of Crystalline 5‐Aryloxy‐3H‐Indole
Authors: Funabiki Kazumasa , Yamada Kengo , Matsueda Hisaki , Arisawa Yuta , Agou Tomohiro , Kubota Yasuhiro , Inuzuka Toshiyasu , Wasada Hiroaki 
Published: January 2021

AbstractIntroduction of a perfluorophenyloxy group at the 5‐position of 3,3‐dibutyl‐2‐methyl‐3H‐indole efficiently promotes aggregation‐induced emission enhancement in both the crystalline solid‐state and in highly concentrated ethanolic solutions of the resultant analog. The phenomenon is attributed to aggregate formation, arising from perfluorophenyl‐perfluorophenyl stacking between the 3H‐indole units, the occurrence of which was deduced from single‐crystal X‐ray analysis of 3,3‐dibutyl‐5‐perfluorophenyloxy‐2‐methyl‐3H‐indole.
Molecularly Imprinted Potentiometric Sensor for Nanomolar Determination of Pioglitazone Hydrochloride in Pharmaceutical Formulations
Authors: El‐Beshlawy Menna M. , Abdel‐Haleem Fatehy M. , Barhoum Ahmed 
Published: January 2021

AbstractPioglitazone Hydrochloride (PG) is an insulin‐sensitizing drug and is indicated for the treatment of type II diabetes. In this study, newly molecularly imprinted electrochemical sensors were constructed for the potentiometric determination of PG in the pharmaceutical formulations (Diabetonorm® 45 and 15 mg) with high accuracy and precision. The MIP particles (ionophore) were prepared by using the PG drug as a template, acrylamide (AC) or methacrylic acid (MAA) as a functional monomer, and ethylene glycol dimthacrylate (EGDMA) as a cross‐linker. The best MIP was synthesized from AC as a functional monomer, AC‐MIP. The best sensor (CPEs) was formulated from graphite (47 wt%) as a carbon source, AC‐MIP (5 wt.%) as an ionophore, PMA (1 wt%) as an ion‐exchanger, DNPOE (47 wt.%) as a conductive oil so‐called plasticizer. The best CPE electrode exhibited response slope to the Nernstian slope of 63.0 mV Decade−1, linear dynamic range of 10−8–10−4 M with the detection limit of 1.0×10−8 M, along with high reversibility, short response time 30 sec, and a long lifetime. The constructed biosensors showed high selectivity against similar interfering species (e. g. arabinose, galactose, lactose, maltose, glucose, Ba2+, Cu2+, Na+, Zn2+, Mg2+, Fe2+, Ca2+, NH4+).
Facile Green Synthesis of NiO/NiCo2O4 Nanocomposite as an Efficient Electrochemical Platform for Determination of Dopamine
Authors: Amiri Mahnaz , Akbari Javar Hamid , Mahmoudi‐Moghaddam Hadi 
Published: January 2021

AbstractThe synthesis of NiO/NiCo2O4 nanoparticles by an eco‐friendly, fast, simple and cost‐effective approach employing Urtica extract is reported in this study. The NiO/NiCo2O4 nanocomposite were characterized using VSM, FTIR, XRD, and SEM techniques. Moreover, to construct a modified carbon paste electrode, NiO/NiCo2O4 were employed and this sensor was used for dopamine (DA) detection. Using cyclic voltammetry (CV) and differential pulse voltammetry (DPV) techniques, the electrochemical behavior of dopamine at the NiO/NiCo2O4/CPE was investigated. Analysis of dopamine, with a limit of detection (LOD) equal to 0.04 μM, in the concentration range of 0.1–100.0 μM, was facilitated by NiO/NiCo2O4/CPE. Moreover, the satisfactory selectivity for DA determination in the presence of uric acid (UA) and ascorbic acid (AA), was obtained. The suggested new sensor displayed a good reproducibility, sensitivity, and stability for determination of DA in drug and biological samples.
Unbiased Selectivity Coefficients of Potentiometric Sensors Using Thin Membrane Layers
Authors: Zdrachek Elena , Bakker Eric 
Published: January 2021

AbstractSolid‐contact ion‐selective electrodes with thin membranes can more easily achieve complete ion exchange at the sample‐membrane interface, giving unbiased selectivity coefficients. The calculated reconditioning rate corresponds well to experimental data. Alternatively, the redox state of the conducting polymer may be electrochemically switched resulting in primary ion expulsion from the membrane and interfering ion uptake from the sample. Both approaches were tested for tetrabutylammonium‐selective electrodes. The approach's limitations are identified, which includes primary ions impurities in interfering ion salts and an interaction between primary ion and redox polymer. These limitations are visualized with ionophore‐based sodium‐ and silver‐selective electrodes.
Transient electrophoresis in a suspension of charged particles with arbitrary electric double layers
Authors: Lai Yi C. , Keh Huan J. 
Published: January 2021

AbstractThe startup of electrophoretic motion in a suspension of spherical colloidal particles, which may be charged with constant zeta potential or constant surface charge density, due to the sudden application of an electric field is analytically examined. The unsteady modified Stokes equation governing the fluid velocity field is solved with unit cell models. Explicit formulas for the transient electrophoretic velocity of the particle in a cell in the Laplace transforms are obtained as functions of relevant parameters. The transient electrophoretic mobility is a monotonic decreasing function of the particle‐to‐fluid density ratio and in general a decreasing function of the particle volume fraction, but it increases and decreases with a raise in the ratio of the particle radius to the Debye length for the particles with constant zeta potential and constant surface charge density, respectively. On the other hand, the relaxation time in the growth of the electrophoretic mobility increases substantially with an increase in the particle‐to‐fluid density ratio and with a decrease in the particle volume fraction but is not a sensitive function of the ratio of the particle radius to the Debye length. For specified values of the particle volume fraction and particle‐to‐fluid density ratio in a suspension, the relaxation times in the growth of the particle mobility in transient electrophoresis and transient sedimentation are equivalent.
Developing an adaptive neuro‐fuzzy inference system based on particle swarm optimization model for forecasting Cr(VI) removal by NiO nanoparticles
Authors: Rajabi Kuyakhi Hossein , Tahmasebi Boldaji Ramin 
Published: January 2021

AbstractThe treatment of wastewater from heavy metal ions such as hexavalent chromium Cr(VI) is considered as an important issue in recent years, which is harmful to human health and environment. Since, in engineering, performing the experiments to solve problems is time‐consuming and costly. In this study, adaptive neuro‐fuzzy inference system (ANFIS) was coupled with particle swarm optimization (PSO) algorithm to develop a predictive model for modeling of Cr(VI) removal percent on NiO nanoparticle. To this end, the trace of four initial parameters containing contact time, Cr(VI) initial concentration, NiO adsorbent dosage, and pH on removing Cr(VI) was investigated. The performance of the developed algorithm was evaluated by statistical parameters such as mean absolute relative deviation mean squared error (MSE) maximum absolute error and, R2 and graphic methods. The ANFIS‐PSO shows high‐performance modeling of Cr(VI) removal with R2 = 0.998, MSE = 0.0014, and AARD = 0.0011 compare to the established model in previous works.
Simultaneous adsorption of manganese and fluoride from aqueous solution via bimetal impregnated activated carbon derived from waste tire: Response surface method modeling approach
Authors: Bose Saswata , Mukherjee Tirthankar , Rahaman Mehabub 
Published: January 2021

AbstractAdsorptive removal of manganese and fluoride from wastewater by waste tire‐derived activated carbon impregnated with iron and cobalt has been presented in this article. The surface properties of bimetallic activated carbon were characterized in scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET), and X‐ray diffraction (XRD). The newly developed adsorbent was used for simultaneous removal of fluoride and manganese from aqueous solution. Present work focuses on the optimization of process parameters using response surface method (RSM) technique employing significant parameters, namely, adsorbent dosage, initial fluoride and manganese concentrations, contact time and pH. Central composite design in RSM was utilized for the levels of adsorbent dosage (0.5–1 g/L), initial fluoride concentration (20–40 ppm), initial manganese concentration (30–50 ppm), time (15–35 min), and pH (4–8) of the solution. The R2 value obtained from the statistics data was 96.25 and 97.57% for fluoride and manganese, respectively. The optimal values were determined as the adsorbent dosage of 1.25 g/L, initial fluoride concentration of 10 ppm, initial manganese concentration of 25.25 ppm, the contact time of 30.9 min and pH of solution of 2.0, under which 99.96% manganese and 85.34% fluoride removal efficiency could be accomplished.
Communication systems of high‐speed railway: A survey
Authors: Gheth Waled , Rabie Khaled M. , Adebisi Bamidele , Ijaz Muhammad , Harris Georgina 
Published: January 2021

AbstractModern railway services are required to deliver good quality services to the passenger throughout the whole journey. These include improved performances, safety, and reduce delays. There is also the requirement for in‐train customer experience such as infotainment and access to reliable communication systems. The railway industry has employed different types and generations of communication systems in recent times. Signaling systems were used at the early stage of the railway services. Today, communication systems such as the second‐generation communication system, also known as the global system for mobile communications (GSM), the Third‐generation (3G) and the Fourth‐generation (4G) are utilized in the railway industry. In this paper, we present a brief history of railway communication systems, their features and applications. In addition, we discuss the technical challenges and potential solutions of in‐train communication systems and how data can be distributed on‐board and between the train coaches using state of the art and hybrid communication technologies.
In‐situ synthesis and adhesion method to prepare phosphorous–nitrogen compounds flame‐retardant wood pulp paper with high efficiency and durability
Authors: Zhang Yaowen , Bao Qiuru , Liu Yuan , Wen Hui , Wang Qi 
Published: January 2021

SummaryIn the present work, flame‐retardant wood pulp paper (WPP) with high water resistance was fabricated through in‐situ synthesis and adhesion of flame retardant on the lignocellulose fibers. Through a simple solution spraying method, melamine (Me) and polyphosphoric acid solution were adequately permeated into interior lignocellulose fibers of WPP in turn and then reacted to produce water‐insoluble phosphorous–nitrogen melamine polyphosphate (MPP). The finally sprayed melamine formaldehyde prepolymer played the roles of flame‐retardant coating, adhesive agent, and water‐proofing layer, thus bonding MPP particles to the lignocellulose fibers firmly. This low‐cost and efficient treatment endowed WPP with excellent flame retardance and satisfactory durability. It showed that the modified WPP had a high limiting oxygen index value of 37.3%, and achieved B‐0 rating in vertical burning test, as well as greatly lowered the peak heat release rate and the total heat release. The flame‐retardant mechanisms of the modified WPP were analyzed and discussed. Moreover, the flame retardance kept well after 72 hours of water resistance test, showing good combination between the flame‐retardant particles and the lignocellulose fibers.
All Fish, All the Time: A Good General Objective for Fish Passage Projects?
Authors: Harvey Bret C , Railsback Steven F 
Published: January 2021

Abstract
Better understanding of the degree of “passability” needed to sustain robust sub-populations upstream of barriers could help address and perhaps eliminate perceived trade-offs between fish passage and other resource management goals. We used spatially explicit, individual-based modeling to explore the population-level consequences of various levels of upstream passability by (1) adult resident trout, and (2) juvenile salmon. In simulations of a stream network with widespread barriers, adult trout allowed to move upstream during only the highest 4% of streamflows sustained the distribution and abundance of the population to the same extent as in a no-barrier scenario. In simulations of salmon production in a reach fully accessible to spawning adults, the number of barriers to upstream movement by juvenile salmon did not affect the production of large outmigrants. Passage objectives less ambitious than “all the fish, all the time” may sometimes suffice to maintain populations of resident trout and anadromous salmon.
Qualitative analysis of the structural, thermal and rheological properties of a plant ice cream based on soy and sesame milks
Authors: Ghaderi Sajad , Mazaheri Tehrani Mostafa , Hesarinejad Mohammad Ali 
Published: January 2021

AbstractThe aim of this study was to investigate the structural, physicochemical, and rheological properties of soy and sesame milk‐based ice cream in order to optimize its formula. The overrun percentage of the optimized ice cream was acceptable compared to the conventional ice cream (produced with cow milk). The hardness and consistency of the optimized ice cream were significantly (p < .05) higher than those of the conventional one, while its cohesiveness was lower. All the samples showed the pseudoplastic behavior and the power‐law model had a high efficiency (R2 ≥ .99) in describing their rheological behavior. The lowest span value, the lowest mean particle diameter, and the highest mean particle surface area, and thus, the most stable and homogenous samples were associated with the conventional ice cream followed by the optimized plant one. The number of air bubbles in the structure of the conventional and optimized ice creams was significantly (p < .05) higher than in the other samples. The soy ice cream had the lowest Tg(−58.04°C), whereas the conventional one had the highest Tg(−55.05°C). Unlike the plant‐based samples, especially the soy ice cream, the conventional ice cream had the lowest ice content (IC), the highest unfreezable water (UFW), and the lowest frozen water (FW). Overall, this ice cream was more acceptable in terms of sensory attributes in comparison with the control sample and could be supplied to consumers as a novel, high‐quality, and marketable ice cream.
Investigating the properties of PLA‐nanochitosan composite films containing Ziziphora Clinopodioides essential oil and their impacts on oxidative spoilage of Oncorhynchus mykiss fillets
Authors: Shakour Nastaran , Khoshkhoo Zhaleh , Akhondzadeh Basti Afshin , Khanjari Ali , Mahasti Shotorbani Peyman 
Published: January 2021

AbstractThe present study aimed to investigate the impact of polylactic acid (PLA) integrated with nanochitosan (NC) composite film and Ziziphora Clinopodioides essential oil (ZCEO) on oxidative spoilage of rainbow trout fillets during a 9‐day refrigeration period. For this purpose, first, six degradable films including T1: PLA, T2: PLA + NC, T3: PLA + NC + 1% ZCEO, T4: PLA + NC + 1.5% ZCEO, T5: PLA + 1% ZCEO, and T6: PLA + 1.5% ZCEO were prepared. Next, the properties of the films were investigated. The results of the mechanical tests showed that ZCEO decreased the tensile strength and increased the elongation at the break of the PLA films. However, adding NC improved the mechanical characteristics of the PLA film. The outcomes of physical tests including moisture content (14.02%), solubility (17.41%), water vapor permeability (1.14 × 10−7 g s−1 m−1 Pa−1), and oxygen transmission rate (21.54 cm3.mm/m2.24 hr) showed that adding 1% ZCEO improved the film physical characteristics. Nevertheless, by adding 1.5% concentration EO to the PLA film, the values of water vapor permeability, porosity (according to the scanning electron microscopy), and turbidity increased and cross‐sectional pores were observed. Moreover, the films had high antioxidant properties (84.33%). In the next step, the effects of the mentioned films on the oxidative spoilage of rainbow trout fillets were investigated. The results of the chemical analysis in PLA film with the EO compared with the control treatment revealed the increasing trend of oxidation indices, in general. Moreover, increasing the concentration yielded better results such that all treatments containing EO showed satisfactory results up until the storage period ends. In most cases, adding NC affected the mentioned characteristics positively, and the best results were observed in T4 and then in T3. However, based on economics and the better mechanical and physical properties of T3, the film can be applied as an active packaging in fishery products.
Chitosan‐Functionalized Recycled Polyethylene Terephthalate Nanofibrous Membrane for Sustainable On‐Demand Oil‐Water Separation
Authors: Baggio Andrea , Doan Hoan N. , Vo Phu P. , Kinashi Kenji , Sakai Wataru , Tsutsumi Naoto , Fuse Yasuro , Sangermano Marco 
Published: January 2021

AbstractThe preservation of marine ecosystems is one of the most severe challenges at present. In particular, oil‐water separation from oil spills and oily wastewater is important. For this reason, a low‐cost, effective, and sustainable polymeric solution is in high demand. In this work, a controlled‐wettability membrane for selective separation of oil‐water mixtures and emulsions is developed. The nanofibrous membrane is prepared via a facile and cost‐effective electrospinning technique using environmentally sustainable materials, such as recycled polyethylene terephthalate and chitosan. The effect of different concentrations of chitosan on the morphology, chemical composition, mechanical properties, wettability, and separation performance of the membrane is evaluated. The membranes exhibited underoil superhydrophobic and underwater superoleophobic behavior, which is essential to perform the selective separation. In fact, the designed filter has competitive antifouling properties (oil intrusion pressure > 45 kPa) and showed high heavy‐ and light‐oil/water separation efficiencies (>95%) both for emulsions and immiscible mixtures.