bluuebunny/crossref_metadata_2025_split huggingface dataset:
High Yield Synthesis of Cellulose Nanocrystals From Avicel by Mechano‐Enzymatic Approach
Authors: Spagnuolo Laura , Beneventi Davide , Dufresne Alain , Operamolla Alessandra 
Published: August 2024

AbstractCellulose nanocrystals are an important class of bio‐based crystalline nanostructures, finding application in several technological fields, including paper and textile coating, biocomposite engineering, biocatalysts immobilization, etc. This study explores enzymatic hydrolysis of Avicel, using endoglucanase from Aspergillus niger, to find an environmentally friendly method to extract cellulose nanocrystals from cellulose sources. Enzymatic hydrolysis has the advantage of reduced energy consumption and higher environmental friendliness compared to acid hydrolysis. In this work, we report for the first time very high nanocrystals yield by combining mechanical pretreatment of the cellulose starting material with a ball miller and endoglucanase hydrolysis, as a result of an extensive optimization of reaction conditions. In particular, a ball milling pretreatment carried out for 50 minutes at 3 Hz, allowed to isolate enzymatic CNCs with 76 % yield and with crystallinity as high as 75 %. The materials were characterized by X‐Ray diffractometry, attenuated total reflectance Fourier transform infrared (ATR‐FTIR) spectroscopy, dynamic light scattering, zeta potential and field emission scanning electron microscopy (FE‐SEM). Their characteristics were compared with the properties of sulfated CNCs, prepared from Avicel by sulfuric acid hydrolysis. Our results are technologically relevant, as they contribute to the accessibility and sustainability of CNCs for a wide range of applications in various industries.
Development of an Effective Au : Pd Bimetallic Heterogeneous Catalyst for Oxidative Lignin Depolymerization to Low Molecular Weight Aromatics
Authors: Karunasinghe Gayan , Qian Dali , Meier Mark S. , Crocker Mark , Martinelli Michela 
Published: August 2024

AbstractLignin, a phenolic‐rich biomass component, holds promise for producing value‐added products. However, its complex structure and recalcitrance present challenges for its effective utilization. To overcome this, a AuPd/Li−Al layered double hydroxide (LDH) catalyst was developed to facilitate lignin depolymerization. Various AuPd bimetallic nanoparticle compositions were supported on a basic Li−Al LDH support via a sol‐immobilization method and characterized using N2‐physisorption, X‐ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). The catalysts were then evaluated in the oxidation of several benzylic alcohols using O2 as the oxidant, from which Au7Pd3/Li−Al LDH and Au1Pd1/Li−Al LDH were identified as possessing promising catalytic activity. Further investigations focused on the aerobic oxidation of β‐O‐4 linked lignin model dimers under atmospheric pressure. The tested catalysts demonstrated sequential oxidation of the model compounds, leading to cleavage of the β‐O‐4 linkage. Finally, the catalysts were applied to the oxidative deconstruction of γ‐valerolactone (GVL) extracted maple lignin at 120 °C. Au1Pd1/Li−Al LDH emerged as the most effective catalyst, yielding a range of aromatic monomers with a total monomer yield of 27 %. These results highlight the potential of the Au1Pd1/Li−Al LDH catalyst system as an eco‐friendly approach for lignin depolymerization under mild conditions.
HKUST‐1 Derived Cu2S‐Cu3P@C Nanomatrix Electrode Material for Non‐Enzymatic Electrochemical Glucose Sensing
Authors: Ali Mubashir , Wahid Malik , Majid Kowsar 
Published: August 2024

AbstractRobust Cu2S‐Cu3P@C Nanomatrix electrode material has been synthesized via a two‐step process involving carbonization of Cu‐MOF, HKUST‐1, followed by simultaneous phosphorization and sulphurization of the carbonized product. This seamless approach leads to the efficient incorporation of highly active Cu2S‐Cu3P hybrid nanostructures within a conductive carbon matrix, exhibiting exceptional electrochemical glucose sensing performance. Synergistic interactions between Cu2S‐Cu3P and the carbon matrix boost glucose electro‐oxidation kinetics. The resulting Cu2S‐Cu3P@C displays a broad linear response (0.005–5 mM), low detection limit (2.3 μM), and high sensitivity (10,790 μA mM−1 cm−2), with excellent selectivity towards glucose even in the presence of interferents. This biomimetic Cu2S‐Cu3P@C nanomatrix catalyst holds promise for biosensor development in bioanalysis and clinical diagnosis.
Research on Lithium Storage Performance of MoS2/rGO Composites
Authors: Wang Yuyang , Ge Tao , Zhan Xinju , Guo Laigong , Liu Song , Cheng Qian , Deng Yifeng 
Published: August 2024

AbstractMoS2/reduced graphene oxide (MoS2‐I, MoS2/rGO‐II and MoS2/rGO‐V) composites with the mass ratio of MoS2 to GO is 1:1, 2:1 and 5:1, which were used as anode materials for lithium‐ion batteries (LIBs). The electrochemical properties and structure were tested and characterized. In the first cycle charge and discharge, the initial discharge capacity of MoS2/rGO‐II electrode is 821.8 mAh g−1 at 0.1 C, and the first coulomb efficiency is 92.09 %. The capacity attenuation of the second and third cycles is 65 mAh g−1 and 10.1 mAh g−1, respectively. Compared to MoS2 electrode, the attenuation of MoS2/rGO‐II electrode is obviously improved at different rates of 0.1 C, 0.2 C and 0.5 C, so MoS2/rGO‐II electrode shows excellent rate performance. Through the reaction mechanism analysis, it is concluded that most of the oxygen‐containing functional groups on the surface of GO are removed, but the conjugated network of graphene is not fully restored, resulting in the loss of electrical conductivity. However, the results of EIS directly show that rGO can still provide good conductivity for MoS2. Therefore, MoS2/rGO composites have great potential as electrodes for LIBs and broad research and application prospects in the field of energy storage.
Synthesis and Antibacterial Activities of Linezolid Analogues with C5‐thioether/N,S‐acetal Amide
Authors: Tian Zeng , Ren Huahua , Zou Yao , Sun Yewei , Jiang Xiaojian 
Published: August 2024

AbstractThe modification on the C5‐side chain in Linezolid analogues development is sporadic owing to the fact that trivial alternation on this position always leads to significant loss of antibacterial activity and in many cases to complete inactivity. The present work focused on constructing the potent yet relatively unexplored C5‐side chain of Linezolid, therefore various C5‐thioethers were synthesized and evaluated for their antibacterial activities. The most potent candidates, hydroxyl thioether (R)‐5 a, (R)‐10 a, and (R)‐5 r which featuring a linear N,S‐acetal amide motif at the C5 side chain, shown strong antibacterial activities with no observable cytotoxicity.
Discovery and Biological Evaluation of Novel Fluorinated Derivatives of Benzophenone Analogues as Potent Anti‐Cancer Agent: Synthesis, In Vitro Assay and Molecular Dynamics
Authors: Pandya Vikrant H. , Sufiyan Chhipa Abu , Kalariya Ravi N. , Modi Krunal M. , Rana Shally , Patel Chirag , Patel Snehal , Bhosale Rajesh S. , Sing Yadav Jhillu 
Published: August 2024

AbstractA range of new fluorinated derivatives of benzophenone analogs were developed and assessed on the human MDA‐MB‐231 triple‐negative breast cancer cell line and human cervical carcinoma cell line KB‐3‐1 for cytotoxic and anti‐proliferative effects. Synthesized derivatives were characterized by 1H NMR, 13C NMR, FTIR, HRMS, and XRD spectroscopy. Compounds 6 a and 7 a had ~2.1 and ~13‐fold more cytotoxic activity against the KB‐3‐1 cell line than the positive control, gemcitabine. Malononitrile‐modified fluorinated benzophenone derivatives 6 b and 7 b exhibited outstanding cytotoxicity against the KB‐3‐1 cell line, outperforming the standard reference by ~3.6 and ~13.5 times, respectively. Similarly, compounds 6 a, and 7 a exhibited ~1.2 and ~2.5 fold accurate cytotoxic activity against the MDA‐MB‐231 breast cancer cell line compared to a standard reference. Whereas, compounds 6 b and 7 b exhibited ~2.2 and ~2.8 fold accurate cytotoxic activity compared to a reference standard. The experimental results demonstrated that out of eight novel compounds, compound 7 b had greater cytotoxic activity than the standard reference against the cervical cancer cell line KB‐3‐1 and the breast cancer MDA‐MB‐231. Molecular docking investigation was used to examine the expected binding affinity and potential binding poses of the produced compounds.
Enhanced Photocatalytic Activities of MIL‐53(Fe)‐GO Composites via a Simple Solid‐Phase Synthesis Strategy: Increasing the Exposed Active Sites and Intimate Interfacial Contact
Authors: Liu Ningning , Xia Yang , Xing Hai 
Published: August 2024

AbstractMIL‐53(Fe)‐GO composite photocatalysts were successfully fabricated via a simple solid‐phase synthesis strategy, and they were applied as efficient visible‐light‐driven photocatalysts for the oxidation of organic dyes and the reduction of Cr(VI). The experimental results demonstrated that MIL‐53(Fe)‐GO composites exhibit enhanced photocatalytic activities compared with the pure MIL‐53(Fe) sample. Based on the photoelectrochemical analyses, the loading of GO could enhance visible‐light absorption and accelerate the separation and transfer of charge carries, leading to the improvement of photocatalytic performance. Moreover, more intimate interfacial contact and active sites in the system could be achieved via a simple solid‐phase synthesis strategy. They could also play important role in the enhancement of photocatalytic performance. Besides, a possible photocatalytic mechanism was also investigated in detail.
An Aluminum Anode with Superior Discharge Characteristics Prepared via Grain Refinement
Authors: Sobati AmirHossein , Dehghanian Changiz 
Published: August 2024

AbstractAs Electric Vehicles became more important in the field of energy, the disadvantages of lithium‐ion batteries became apparent. This led to an increased interest in metal‐air batteries, particularly aluminum‐air batteries, as alternatives to lithium‐ion batteries. However, aluminum‐air batteries also have their own deficiencies, with one of the main areas of research being the improvement of anode characteristics. Improving anode characteristics is a crucial area of research in this field. Aluminum alloys have traditionally been used to overcome obstacles in creating batteries with favorable electrochemical properties. However, recent studies suggest that reducing the grain size of aluminum anodes can have positive effects. In this study, we investigated the electrochemical behavior of three aluminum alloys that were grain‐refined by Al‐5Ti‐1B and compared the results to a commonly used aluminum alloy as an anode in aluminum‐air batteries. We chose Al−Ti alloys with variable amounts of titanium (0.01, 0.05, and 0.1 wt.%) for evaluation. We selected a 4 molar potassium hydroxide solution as the test electrolyte due to the merits of alkaline electrolytes. Our study found that the alloy with 0.05 wt.% of titanium is the best anode choice. This anode has promising discharge characteristics at high current density (50 mA/cm2) and is an appropriate choice for electric vehicles.
Probing Temperature‐Dependence of Hydrogen Bonding in Condensed Polymeric Materials with Aggregation‐Induced Emission
Authors: Lu Yao , Fan Xinyue , Ge Shijie 
Published: August 2024

AbstractHydrogen bonding is pivotal in chemical and biological systems, yet detecting it in condensed matter, especially polymers, remains challenging. We propose a straightforward method using an aggregation‐induced emission luminogen (AIEgen) probe, demonstrated in a specially designed hydrogen‐bonded polymer with UPy groups. Unlike conventional covalent bonding, our approach involves mixing the AIEgen probe with polymers, inducing a significant change in fluorescence intensity due to the exceptional AIE characteristics. Validation involved comparative analyses with traditional methods, including dynamic mechanical analysis and infrared spectroscopy, across various temperatures. Our AIEgen‐based approach offers a more intuitive assessment of hydrogen bonding dynamics than the complexity of infrared spectroscopy. Importantly, hydrogen‐bonding transition temperatures determined by our AIEgen‐based method are only 6–8 degrees higher than those from dynamic mechanical analyses, confirming accuracy under faster, simpler conditions. This innovative technique not only opens a new avenue for investigating hydrogen bonding dynamics within confined polymer chains but also enhances the precision of transition temperature determination in solid‐state materials. Our study highlights the vital role of hydrogen bonding in functional materials, promising exciting possibilities for further advancements in this field.
Enhanced Stability and Performance Lead Halide Perovskite Solar Cells via Hole Transport Materials Additive Strategies
Authors: Ahmad Khursheed , Ahmad Khan Rais , Abdullah  , Seo Hyung‐Kee 
Published: August 2024

AbstractPast few years has witnessed a rapid surge in the design and fabrication of lead halide perovskite solar cells (LH‐PSCs). Methyl ammonium lead iodide (CH3NH3PbI3) is one of the widely used visible light absorbing material towards the fabrication of LH‐PSCs. The CH3NH3PbI3 has a band gap of around 1.55 eV which makes it a suitable visible light sensitizer for the development of high performance next generation LH‐PSCs. In this work, CH3NH3PbI3 has been explored as visible light absorbing layer with mesoscopic device architecture of (FTO/TiO2/CH3NH3PbI3/spiro‐OMeTAD+MoS2/Au) LH‐PSCs. MoS2 has been utilized as hole transport material additive which not only acted as additive but also enhanced the performance of the LH‐PSCs with long term stability. The FTO/TiO2/CH3NH3PbI3/spiro‐OMeTAD+MoS2/Au showed the interesting efficiency of 14.2 % which is higher than that of the FTO/TiO2/CH3NH3PbI3/spiro‐OMeTAD/Au device (11.9 %). This work offers the fabrication of stable and improved LH‐PSCs with device architecture of FTO/TiO2/CH3NH3PbI3/spiro‐OMeTAD+MoS2/Au.
Exploring the Inhibitory Effects of Quinolone Medications on Carbonic Anhydrase Enzyme Activity: In Vitro and In Silico Investigation
Authors: Demir Yeliz 
Published: August 2024

AbstractEnzyme inhibition is a frequently employed technique for regulating enzyme activity in several biological systems that are physiologically significant. In this study, it was evaluated the effectiveness of six specific quinolone medicines, namely lomefloxacin, nalidixic acid, gatifloxacin, norfloxacin, sparfloxacin and nitrofurantoin, in inhibiting two human isoforms of the carbonic anhydrase (hCA) that play a role in different physiological and pathological circumstances. In order to achieve this objective, both in vitro and in silico investigations were conducted to get a deeper understanding of the potential binding interactions and affinities for hCA I and II isoforms. The kinetic inhibitory effects (Kis) of hCA I ranged from 1.31 to 13.07 μM, in comparison to the reference medication acetazolamide (AAZ, Ki of 0.12 μM). In addition, hCA II was effectively suppressed by these drugs, with Kis ranging from 1.42 to 11.93 μM, compared to AAZ (Ki of 0.098 μM). Significant interactions between the six medicines and hCAs indicated their potential to support therapeutic targets against pathological diseases. Furthermore, the findings acquired will contribute to the enhancement of therapeutic dose regimens for these medications and the prevention of unforeseen drug‐drug interactions when administered concurrently with other substances.
DBU‐Catalyzed Vinylogous Reaction of 3‐Cyano‐4‐methylcoumarins with 3‐Arylsulfonyl‐3‐indolyloxindoles
Authors: Mritunjay  , Sharma Shubham , Singh Pushpinder , Gupta Ankush , Singh Virender , Singh Lakhmir , Kumar Akshay 
Published: August 2024

AbstractAn efficient metal‐free DBU catalyzed approach for the construction of biologically significant quaternary carbon centered C‐3 functionalized 2‐oxindole derivatives through vinylogous reaction of 3‐cyano‐4‐methylcoumarins with 3‐arylsulfonyl‐3‐indolyloxindoles has been developed for first time. The developed protocol is simple, cost‐effective, and producing the desired products in good yields, without utilizing potentially harmful chemicals. Moreover, the synthesized 3,3‐disubstituted 2‐oxindole molecules contain established pharmacophors in their structure, i. e., oxindole‐, indole‐ and coumarin‐ moieties, which makes them a valuable candidate for drug development process.
Enhanced Corrosion Resistance of Mild Steel in Acidic Media Using PVA‐Chitosan‐Dopamine Composite Coatings
Authors: Al‐Goul Soha Talal , Abdel‐Hamid Shereen M. S. , Bassyouni Mohamed 
Published: August 2024

AbstractIn this study, corrosion control of mild steel in acidic media was conducted in the presence of polyvinyl alcohol (PVA)‐chitosan and PVA‐chitosan‐dopamine composite coatings. Weight loss, polarization, and electrochemical impedance spectroscopy (EIS) studies were conducted to study the protective mechanisms and performance of PVA‐chitosan coatings. The results showed a substantial reduction in weight loss, corrosion rates, and corrosion current densities for coated specimens indicating the effectiveness of the composite coatings. PVA‐chitosan and PVA‐chitosan‐dopamine coatings showed high inhibition efficiencies (IE) up to 90.65 % and 96.01 % respectively. The electrochemical findings were supported using surface characterization techniques such as SEM to obtain a complete understanding of the coatings’ morphology and composition. The topographical analysis confirmed that dopamine significantly influenced the surface morphology and behavior of the nanocomposite. The FTIR spectrum of composite B, which combined PVA and chitosan, exhibited notable changes, including a decrease in both the intensity and frequency of the OH band. The potential of PVA‐chitosan‐dopamine coatings as effective corrosion inhibitors for mild steel in acidic environments offered practical solutions for diverse industrial applications.
Development of Dual Cooperative Multi‐Urea Catalysts for Henry Reaction
Authors: Kimura Yuki , Kawai Hidetoshi 
Published: August 2024

AbstractA dual cooperative multi‐urea catalyst for Henry reaction was developed in which four urea groups were introduced into a rigid and rotatable framework. The tetraurea catalyst 1 showed higher activity for Henry reaction than its analogues, close‐bisurea 2 or distal‐bisurea 3 with two urea units, demonstrating additional cooperativity between the two substrate‐pinching catalytic sites of tetraurea 1. Addition of the reaction product to the reaction system resulted in a small amount of further activation. This work would provide a basis for new cooperative molecular catalysts, leading to a high degree of regulation based on allosteric cooperativity, e.g. with a distinct ON/OFF threshold for reactivity, or feedback activation by using the product as a reaction template.
Optimizing Energy Storage Performance: In situ Synthesized Manganese Oxide (Mn3O4) Nanoparticle‐Based Symmetric Supercapacitor on a Paper Substrate
Authors: Ghosh Sarit K. , Kumari Pooja , Saha Chandan , Singh Harishchandra , Waziri Ibrahim , Mbileni‐Morema Charity N. , Mallick Kaushik 
Published: August 2024

AbstractIn this study, a redox reaction is employed to synthesize manganese oxide (Mn3O4) nanoparticles using potassium permanganate as a precursor in the presence of diethyl amine. The structural characterization reveals the formation of the tetragonal phase of Mn3O4 nanoparticles with a space group of I41/amd. A free‐standing Mn3O4‐based paper electrode is fabricated and its electrochemical performances are investigated. The electrode exhibits a maximum specific capacitance value of ~353 F g−1 and an areal capacitance of ~530 mF cm−2 at a current density of 0.2 A g−1. A symmetric supercapacitor‐based device is also designed using Mn3O4 nanoparticles as an active material in a gel electrolyte configuration. The Mn3O4 device achieves specific and areal capacity values of ~208 mAh g−1 and 260 mA cm−2, respectively, at a current density of 0.3 A g−1. The device delivers maximum energy and power density values of ~104 Wh kg−1 and ~220 W kg−1, respectively, with ~92 % specific capacity retention at 0.3 A g−1 after 5000 cycles. The above results suggest that the Mn3O4‐based device has the potential for energy storage applications.
Pseudocapacitive Electrode Based on MnO2 Loaded Activated Charcoal on Graphite Paper for Sustainable Energy Storage
Authors: Ivan Jebakumar D. S. , Jeyakumar U. , Dinesh Raja N. 
Published: August 2024

AbstractThe design of high‐performance electrode material without compromising energy and power density is critical for the advancement in hybrid electric vehicle technology. In this perspective, we have fabricated a MnO2 loaded activated charcoal‐based electrode on graphite paper as an endeavour to improve the energy storage capabilities. The electrode material is synthesized by employing a sustainable route and the structural, microstructural, and textural properties have been investigated. The electrochemical performance for energy storage is evaluated and the fabricated electrode on graphite paper exhibits remarkably high‐power density (811 W kg−1) maintaining high energy density (106 Wh kg−1) at the same time, along with high gravimetric specific capacitance value of 768 F g−1 at 2 mA cm−2. The obtained results demonstrate the excellent performance of the electrode material, suggesting MnO2 loaded activated charcoal as a prospective electrode material to meet the demand of hybrid electric vehicles as well as to contribute to our transitioning towards low‐to‐zero carbon emission technology.
Ionic Liquid Induced Aggregation and Precipitation Behavior of Pinacyanol
Authors: Saloni  , Kasana Preeti , Ahmed Jahangeer , Kumar Vinod 
Published: August 2024

AbstractIn this paper, we demonstrate the unique role of ionic liquids (ILs) as dye aggregation and precipitation promoter. Specifically, we have observed that the presence of small amount of IL such as 1‐butyl‐3‐methylimidazolium hexaflurophosphate ([bmim][PF6]), 1‐butyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][Tf2N]), 1‐butyl‐3‐methylimidazolium trifluoromethanesulfonate ([bmim][OTf]), 1‐butyl‐3‐methylimidazolium tetrafluoroborate ([bmim][BF4]) and 1‐butyl‐1‐methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([bmpyrr][Tf2N]) in aqueous milieu can help in the conversion of a cyanine dye 1,1’‐Diethyl‐2,2’‐carbocyanine iodide (Pinacyanol iodide) into J‐ and H‐aggregates followed by time dependent precipitation of the dye. The anion of the added IL strongly affects the aggregation process in aqueous solution. Addition of small amount of BF4− anion based IL [bmim][BF4] to aqueous solution of the dye initially induces J‐ and H‐aggregation followed by quick precipitation of the dye in time dependent manner. Presence of small amount of other anion containing ILs such as ([bmim][PF6]), ([bmim][OTf]), ([bmim][Tf2N]) and ([bmpyrr][Tf2N]) strongly supports H‐aggregation of the dye in aqueous solution whereas higher wt % of added ILs also caused precipitation of the dye in a time dependent manner. The nature of the IL anion, wt % of added IL and temperature conditions decides efficiencies of aggregation and precipitation processes. The dual yet unique behavior of ILs as an additive influence the aggregation of cyanine dyes and precipitation has been demonstrated. The observed results can contribute towards various application for dye aggregates and in the removal of dyes from water. The developed process can find potential applications in the field of material science, wastewater treatment, future light harvesting systems, and opto‐electronics related fields.