bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cytotoxicity of copper(I) complexes containing indole‐based thiosemicarbazones and triphenylphosphine
Authors: Arockia Doss Periyanayagam , Haribabu Jebiti , Balakrishnan Nithya , Swaminathan Srividya , Pino Jose A. , Bhuvanesh Nattamai , Karvembu Ramasamy 
Published: August 2023

AbstractThe research and development department continues searching for effective and definite anticancer medications that would help eradicate cancer. The thiosemicarbazone ligands with indole fragment were utilized to create four new copper(I) complexes. Several spectral examinations and elemental analyses validated the formation of the complexes (1–4). Single crystal X‐ray diffraction (XRD) also proved that complex 4 had the expected tetrahedral structure. Complexes 1–4 were assessed for their cytotoxic property on different cell lines such as immortalized human vascular endothelial (EAhy.926), hepatocellular carcinoma (HepG‐2), and bladder cancer (T24), and kidney epithelial normal cells extracted from an African green monkey (Vero). The complexes showed reduced toxicity towards healthy Vero cells while being active in cancer cell lines. While the standard cisplatin revealed IC50 values of 26.60 and 49.90 μM, the N‐phenyl substituted complex 3 displayed a superior cytotoxic effect with IC50 values of 13.82 and 24.93 μM towards EAhy.926 and HepG‐2 cells, respectively.
A Review on Multipurpose Potential of Bioactive Heterocycle Quinoxaline
Authors: Chawla Gita , Gupta Ojasvi , Pradhan Tathagata 
Published: August 2023

AbstractIn last few decades, nitrogen‐containing heterocycles have maintained their status as an important core of FDA‐approved drugs and medicinally active compounds. Quinoxaline is one such class of nitrogen‐containing scaffold that has become a subject of extensive research as it possess a plethora of biological activities. Molecular hybridization is a versatile and rational approach to drug design that involves the combination of two bioactive molecules possessing distinct intrinsic activity into a single scaffold for enhancing their therapeutic potential. In view of this, the advancement and potential of quinoxaline hybrids bearing thiazole, triazole, oxadiazole, pyrrolizines, pyrazole, etc. have attracted the keen attention of researchers to explore their therapeutic ability against different biological targets. The present review includes the research in the recent years (2018–2023) and addresses the graceful advancements in the studies related to quinoxaline‐based small molecules including their synthetic routes, biological activities and structure‐activity relationships. We anticipate that this review article will provide comprehensive knowledge of pharmacological importance of quinoxaline analogues and will fulfill the need of scientific community in designing and developing efficacious novel molecules.
Ir(III)‐Catalyzed C−H Alkylation of Aryl Ketone and Chromanone under Mild Conditions; Two‐Step Synthesis of Cytosporones B and N
Authors: Patel Pitambar , Roy Arup , Borah Gongutri 
Published: August 2023

AbstractAn Ir(III)‐catalyzed ortho‐C−H alkylation of aryl ketones with diazo Meldrum's acid was developed for the synthesis of 2‐(2‐alkanoylaryl)acetate derivatives. The reaction took place under mild atmospheric conditions with broad substrate scope. Further, the developed catalytic system was found to be suitable for the selective C5‐alkylation of flavanone and chromanone derivatives. Mechanistic studies revealed that the reaction proceeds via initial Ir(III)‐catalyzed selective ortho‐alkylation followed by decarboxylative esterification with the alcohol to furnish the final product. Notably, the developed reaction was successfully applied in the total synthesis of cytosporones B and N in two steps starting from resorcinol.
Synthesis of CuMoS micro‐rods material as efficient bifunctional electrocatalyst for overall water splitting
Authors: Kalusulingam Rajathsing , Selvam Mathi , Mikhailova T. S. , Popov Y. V. , Khubezhov S. A. , Pankov I. V. , Myasoedova Tatiana N. 
Published: August 2023

AbstractIn oxygen evolution reactions (OER) metal sulfides are the subject of extensive research. Copper‐molybdenum sulfides (CuMoS) that can be made a simple hydrothermal treatment are designed to reduce catalyst costs even more. Here, we demonstrate that binder free electrode composed of micro‐rod structure copper‐molybdenum sulfides on nickel foam (CuMoS/NF) can be employed as an active and robust bifunctional electrocatalyst for water splitting. CuMoS/NF catalyst displays an overpotential for OER of 358 mV (121 mV dec−1) and HER of 129 mV (101 mV dec−1) at current density of 10 mA cm−2. CuMoS/NF is stable for 60 hours with potential deviations in OER and HER of 2.8 % and 3.2 %, respectively. The active bifunctional CuMoS/NF electrode combination helps to fabricate a water electrolyser with 10 mA cm−2 current density at 1.65 V. CuMoS/NF//CuMoS/NF shows good stability over 60 hours with a potential deviation of 2.7 %. The earth‘s abundant non‐precious metal‐based electrode, and solar cell delivered continuous hydrogen and oxygen (1.65 V), making it possible to produce a significant quantity of hydrogen at a low‐cost and on a large‐scale.
Predictive TDDFT Methodology for Aromatic Molecules UV‐Vis properties: from Benchmark to Applications
Authors: Hédouin Matthieu , Luppi Eleonora , Ward Oliver , Harrowven David , Fressigné Catherine , Chataigner Isabelle 
Published: August 2023

AbstractThe absorption and emission properties of a series of 44 aromatic molecules have been investigated in Time Dependent Density Functional Theory (TDDFT) using different exchange‐correlation functionals. Solvent effects have been included within linear response (LR) and state specific (SS) polarisable continuum model (PCM). The comparison with experimental UV‐Vis data showed reasonable agreement for all the aromatic molecules when ωB97XD with SS‐PCM is used. In particular, we found an accurate linear correlation between experimental and theoretical results which is revealed in an equation for absorption and another equation for emission derived from a linear fitting between theoretical and experimental data. Through these linear equations we propose a simple, pragmatic and effective approach able to describe and predict the absorption and the emission of aromatic molecules with a reasonable computational cost.
Synergistic Effect of Nickel and Cobalt in Nanowire Array for High Energy Storage with Rapid Charge Transfer in Asymmetric Supercapacitor
Authors: Pandey Ravi Ranjan , Kashyap Yashvant , Andola Anshu , Nakanishi Hideyuki , Pandey Rakesh K. 
Published: August 2023

AbstractWe introduce a unique asymmetric supercapacitor design that combines a vertically aligned Ni−Co alloy‐type nanowire (NiCoNW) array electrode with a graphene flakes (GFs) electrode. The sandwiching of these two electrodes enables the device to operate at a high working potential window of 2.0 V. The improved response of the device is attributed to the asymmetric design and a high charge transfer in the NiCoNWs compared with pure metals. The optimized presence of Co in the alloy increases the rate of hydroxide formation in an alkaline solution during the gas evolution reaction. The use of GFs to modify the graphite electrode (GFs@Graphite) provided a more stable response at high current densities. We obtain extremely stable cyclic voltammetry (CV) plots even at very high scan rates (500 V/s) and galvanostatic charge–discharge curves with longer charge–discharge times. The highest capacitance achieved for the assembled device (Asy‐NiCoNWs/GFs@Graphite) is 339 F/cm3 (volumetric) at a current density of 5.0 A/cm3. In addition, a remarkable cycling retention of ∼100 % is observed after 10000 continuous potential cycles.
pH‐Dependent Synthesis of Pure‐Phase BiI3 and BiOI by Electrodeposition**
Authors: Kumar G. Mohan , Varma Deepak Suresh , Jothi Sathiskumar , Ramasamy Devaraj , Abrantes João C. C. , Rangarajan Murali 
Published: August 2023

AbstractThis study reports the electrochemical synthesis of different morphologies of bismuth iodide and bismuth oxyiodide on graphite surfaces from acidic baths containing bismuth nitrate, sodium nitrate, iodine and ethylene glycol by a simple pH control. Linear sweep voltammetry analyses determined the potential window for the reduction of iodine where bismuth ions do not get reduced. The concentration of the iodide ions in the bath is regulated by the applied potential. At pH 0.2 and 0.5, bismuth is predominantly present as free Bi3+ ions, which react with iodide to form bismuth triiodide. On the other hand, even at slightly elevated pH 1.0 and 2.0, bismuth is predominantly complexed by water, nitrates and ethylene glycol. These complexes react with the iodide ions to form bismuth oxyiodide. Pure triiodide phase comprising polygonal platelets is obtained at pH 0.2. Pure oxyiodide phase comprising novel microflower‐like morphology formed from interlinked nano‐disks is obtained at pH 2.0.
Functional Polymer Material with Efficient Optical Tunability
Authors: Kumar Rajan , Kumar Nishkarsh , Chandel Shubham , Tiwari Akash , Bag Arijit , Kumar Ghorai Pradip , Ghosh Nirmalya , Shunmugam Raja 
Published: August 2023

AbstractThe solvent dependent investigation for the bathochromic emission has an extensive report whereas the report on solvent independent material is limited. With approach for invention of photoluminescent material, the hydrothiolation was invoked for the growth of thermally clicked energy tuneable crosslinked photoluminescent polymeric materials. The observed CIE co‐ordinates for the crosslinked polymers were Poly‐BnNpAll (0.31, 0.48) and Poly‐BnNpAlk (0.34, 0.51). The respective quantum efficiency (Φ) for Poly‐BnNpAll and Poly‐BnNpAlk were 9.73 % and 6.14 %. The energy tunability and optical responses were validated through DFT calculations and fluorescence Mueller matrix (FLMM) analysis. From FLMM, the optical parameters ‐ fluorescence diattenuation and fluorescence polarizance revealed the excited molecular orientation is more organized relative to ground state. Such materials have scope for application as promoter during photocatalysis, chemosensing, etc.
Nanoarchitectonics of Boron‐Nitride‐Supported Phosphomolybdic Acid as a Heterogeneous Catalyst for Conversion of Fructose to 5‐Hydroxymethylfurfural
Authors: Chhabra Tripti , Bisht Balendu , Kumar Sahil , Krishnan Venkata 
Published: August 2023

AbstractThe catalytic conversion of lignocellulose derived products to value added chemicals are of high importance in the quest to solve energy crisis. In this work, we have prepared the phosphomolybdic acid (PMA) supported on boron‐nitride (BN) nanosheets via a facile hydrothermal process. A series of heterogeneous catalysts has been prepared by using varying quantities of BN and PMA. All the catalysts were examined for the conversion of fructose to 5‐hydroxymethylfurfural (5‐HMF) and one of them turns out to be the best catalyst. Different optimizations like catalyst amount, temperature and time have been performed using the best catalyst. Although the catalyst selectively forms 5‐HMF, the yield was relatively low, which could be explained using the zeta potential studies. However, it was interesting to note that an addition of H2SO4 (0.01 M) to the reaction mixture enhances the catalytic activity of the overall process and leads to the formation of levulinic acid (LA) in addition to 5‐HMF, which could be attributed to the increased acidity in the reaction mixture. Overall, this work provides deeper insights on the role of BN, PMA and H2SO4 in the conversion of saccharides to value‐added chemicals.
Stereolithography 3D Printed Carbon Microlattices with Hierarchical Porosity for Structural and Functional Applications
Authors: Kudo Akira , Kanamaru Kazuya , Han Jiuhui , Tang Rui , Kisu Kazuaki , Yoshii Takeharu , Orimo Shin‐ichi , Nishihara Hirotomo , Chen Mingwei 
Published: August 2023

AbstractHierarchically porous carbon microlattices (HPCMLs) fabricated by using a composite photoresin and stereolithography (SLA) 3D printing is reported. Containing magnesium oxide nanoparticles (MgO NPs) as porogens and multilayer graphene nanosheets as UV‐scattering inhibitors, the composite photoresin is formed to simple cubic microlattices with digitally designed porosity of 50%. After carbonization in vacuum at 1000 °C and chemical removal of MgO NPs, it is realized that carbon microlattices possessing hierarchical porosity are composed of the lattice architecture (≈100 µm), macropores (≈5 µm), mesopores (≈50 nm), and micropores (≈1 nm). The linear shrinkage after pyrolysis is as small as 33%. Compressive strength of 7.45 to 10.45 MPa and Young's modulus of 375 to 736 MPa are achieved, proving HPCMLs a robust mechanical component among reported carbon materials with a random pore structure. Having a few millimeters in thickness, the HPCMLs can serve as thick supercapacitor electrodes that demonstrate gravimetric capacitances 105 and 13.8 F g−1 in aqueous and organic electrolyte, reaching footprint areal capacitances beyond 10 and 1 F cm−2, respectively. The results present that the composite photoresin for SLA can yield carbon microarchitectures that integrate structural and functional properties for structural energy storages .
Polycrystalline Diamond Micro‐Hotplates
Authors: Thomas Evan L. H. , Stritt Jaspa , Mandal Soumen , Imboden Matthias , Williams Oliver A. 
Published: August 2023

AbstractMicro‐hotplate structures are increasingly being investigated for use in a host of applications ranging from broadband infra‐red sources within absorption‐based gas sensors to in situ heater stages for ultra‐high‐resolution imaging. With devices usually fabricated from a conductive electrode placed on top of a freestanding radiator element, coefficient of thermal expansion (CTE) mismatches between layers and electro‐migration within the heating element typically lead to failure upon exceeding temperatures of 1600 K. In an attempt to mitigate such issues, a series of hotplates of varying geometry have been fabricated from a single layer of mechanically robust, high thermal conductivity, and low CTE boron‐doped polycrystalline diamond. Upon testing under high vacuum conditions and characterization of the emission spectra, the resulting devices are shown to exhibit a grey‐body like emission response and reach temperatures vastly in excess of conventional geometries of up to 2731 K at applied powers of ⩽100 mW. Characterization of the thermalization time meanwhile demonstrates rapid millisecond response times, while Raman spectroscopy reveals the performance of the devices is dictated by cumulative graphitization at elevated temperatures. As such, both diamond and sp2 carbon are shown to be promising materials for the fabrication of next‐generation micro‐hotplates.
High‐Performance Flexible Graphene Oxide‐Based Moisture‐Enabled Nanogenerator via Multilayer Heterojunction Engineering and Power Management System
Authors: Chen Fandi , Zhang Shuo , Guan Peiyuan , Xu Yeqing , Wan Tao , Lin Chun‐Ho , Li Mengyao , Wang Caiyun , Chu Dewei 
Published: August 2023

AbstractRecently, there has been a surge of interest in nanogenerators within the scientific community because their immense potential for extracting energy from the surrounding environment. A promising approach involves utilizing ambient moisture as an energy source for portable devices. In this study, moisture‐enabled nanogenerators (MENGs) are devised by integrating heterojunctions of graphene oxide (GO) and reduced graphene oxide (rGO). Benefiting from the unique structure, a larger ion concentration gradient is achieved as well as a lower resistance, which leads to enhanced electricity generation. The resulting MENG generates a desirable open‐circuit voltage of 0.76 V and a short‐circuit current density of 73 µA cm−2 with a maximum power density of 15.8 µW cm−2. Notably, the designed device exhibits a high voltage retention of more than 90% after 3000 bending cycles, suggesting a high potential for flexible applications. Moreover, a large‐scale integrated MENG array is developed by incorporating flexible printed circuit technology and connecting it to a power management system. This integrated system can provide ample energy to operate an electronic ink display and drive a heart rate sensor for health monitoring. The outcomes of this research present a novel framework for advancing next‐generation self‐powered flexible devices, thereby demonstrating significant promise for future wearable electronics.
Quick Subset Construction
Authors: Dusi Michele , Lamperti Gianfranco 
Published: August 2023

AbstractA finite automaton can be either deterministic (DFA) or nondeterministic (NFA). An automaton‐based task is in general more efficient when performed with a DFA rather than an NFA. For any NFA there is an equivalent DFA that can be generated by the classical Subset Construction algorithm. When, however, a large NFA may be transformed into an equivalent DFA by a series of actions operating directly on the NFA, Subset Construction may be unnecessarily expensive in computation, as a (possibly large) deterministic portion of the NFA is regenerated as is, a waste of processing. This is why a conservative algorithm for NFA determinization is proposed, called Quick Subset Construction, which progressively transforms an NFA into an equivalent DFA instead of generating the DFA from scratch, thereby avoiding unnecessary processing. Quick Subset Construction is proven, both formally and empirically, to be equivalent to Subset Construction, inasmuch it generates exactly the same DFA. Experimental results indicate that, the smaller the number of repair actions performed on the NFA, as compared to the size of the equivalent DFA, the faster Quick Subset Construction over Subset Construction.
Biomechanical Study of the Addition of the Interferential Screw in the Repair of the Distal Biceps Brachii Tendon
Authors: Santa-María Ana L. , Agharbi Marzouk , Thams Carlos B. , Martel Oscar 
Published: August 2023

AbstractThe surgery of the biceps brachii anchors the tendon to the bone, usually using sutures and/or screws. The usual technique is to drill a tunnel in the radius and secure the tendon in it using a small metal piece (button). However, it is also possible to add an interference screw in the bone tunnel to increase the fixation capacity. The objective of this work has been to evaluate the improvement of the repair of the biceps brachii tendon with the use of an interference screw. To this end, reconstructions of the distal tendon were carried out using bones and tendons of animal origin and tested cyclically. The results indicate that adding the screw reduces the displacement and increases the loading capacity significantly. Therefore, the addition of the interference screw is recommended, especially in young and active patients.
Predictive Methodology to Optimize Knocking Behavior in the Transformation of Engines to Gaseous Fuels
Authors: Bermúdez-Tamarit Vicente , Gomez-Soriano Josep , Tolvett-Caro Sebastian , Luján Raúl 
Published: August 2023

AbstractThe growing concern about climate change has prompted national strategies with ambitious greenhouse gas emissions targets. Most of these targets aim at carbon neutrality by 2050. Different approaches propose electromobility as a mitigation measure to replace fossil fuels in vehicle propulsion systems; but, studies show that by 2050 only 31% of vehicles worldwide will be electric. Therefore, to achieve carbon neutrality goals, it will be necessary to develop cost-effective transition technologies that reduce emissions from the remaining fleet. A viable alternative is transforming and optimizing engines for cleaner fuels such as natural gas (NG) or liquified petroleum gas (LPG). This research proposes a predictive methodology to predefine engine conditions related to its compression ratio (CR) to avoid knocking when transforming engines to gaseous fuels.
Automatic Sight Distance Estimation for Overtaking Maneuvers
Authors: Jiménez Felipe , Ruiz Juan 
Published: August 2023

AbstractNew assistance systems, as a preliminary step towards automated driving, require a complete knowledge of the environment. To do this, perception sensors are used, but positioning on digital maps is also a valuable tool as a secondary sensor. In this sense, digital maps must contain increasingly greater precision and detail. A variable that is not usually included is the sight distance, which is conditioned by static and dynamic elements. This paper presents a method for its estimation considering the road geometry and other elements that can interfere with driver or sensors vision such as obstacles in the surroundings of the road or a vehicle in front of the ego vehicle (before an overtaking maneuver). The method is applied to data from a real road with the advantage of being able to work in real time so results could be obtained based on the dynamic elements detected by the vehicle’s sensors. From the sight distance information, the possibility of carrying out overtaking maneuvers is estimated.
On the Use of Carbon Fiber Composites for the Enhancement of the Rollover Resistance of Steel Buses
Authors: Lavayen-Farfán Daniel , Butenegro-García José Antonio , López-Boada María Jesús , Martínez-Casanova Miguel Ángel , Rodriguez-Hernandez Jorge Antonio 
Published: August 2023

AbstractThe increasing use of composites in vehicles in recent years is one of the current trends in the automotive industry. In particular, fiber composites are being used as reinforcements for the main structural elements of vehicles, due to their outstanding specific mechanical properties and low weight. When combined with metal parts, fiber composites can significantly enhance the crashworthiness of vehicle structures, by increasing their energy absorption capabilities and resistance to plastic deformations and permanent damage. This work presents CFRP reinforcements as a case study for enhancing the bending collapse behavior and crashworthiness of bus structures. The required calculations are based on a simplified “concept model” that includes the bending collapse behavior of the structural components, based on theoretical models calibrated with experimental results. The results demonstrate that the use of CFRP reinforcements improves the rollover crashworthiness of a bus structure, and need not be applied to the entire structure, but only to the critical parts where bending collapse is most likely to occur in a rollover accident.
Development of a Reactor Network Model to Predict Pollutant Emissions from Aviation Gas Turbines
Authors: Garcia-Oliver Jose M. , García Jaime Gimeno , Corzo Borja Martínez , Laboulais Javier Navarro , Leyland Penélope 
Published: August 2023

AbstractThe present work focuses on the prediction of pollutant emissions in gas turbine engines by means of a reactor network considering chemical kinetics. The network was developed based on the CFM56 -7B27/B1F aviation engine, calibrated with the pollutant emission data (EINOx, EICO and EIHC) provided by ICAO at maximum power and compared to other operating conditions. A study of local species formation in every reactor was carried out to analyze the differences and similarities between the model and experimental data.