bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Growth of Silver Nanoparticles on Graphene Oxide Towards Electrochemical Nitrite Detection
Authors: Kumar Narvdeshwar , Maurya Angesh Kumar , Bind Anuj Kumar , Sonkar Piyush Kumar 
Published: February 2024

AbstractNitrite is a significant environmental pollutant present in industrial waste water, food additives, detergents, and physiological systems. Therefore, an effective electrochemical sensor is essential for nitrite determination. Accordingly in this work, graphene oxide (GO) is functionalized with 3‐aminopropyltrimethoxysilane (GO‐APTMS) and 3‐mercaptopropyltrimehtoxysilane (GO‐MPTS). Further, Silver nanoparticles (AgNPs) were grown on GO‐MPTS (GO‐MPTS/AgNPs) and GO‐APTMS (GO‐APTMS/AgNPs). GO‐APTMS/AgNPs and GO‐MPTS/AgNPs are characterized by different spectroscopic and microscopic techniques such as Fourier transform infrared (FT‐IR), UV‐vis and powder X‐ray diffraction(p‐XRD), transmission electron microscopy(TEM) with selected area electron diffraction (SAED) and energy dispersive X‐ray analysis (EDAX). The nanocomposites, GO‐APTMS/AgNPs and GO‐MPTS/AgNPs are immobilized on glassy carbon (GC) electrode and abbreviated as GC/GO‐APTMS/AgNPs and GC/GO‐MPTS/AgNPs, respectively. It exhibits excellent electrocatalytic activity toward the oxidation of NO2−. It shows the broad calibration range from 0.1 μM to 1 mM. The detection limit for NO2− is 90 nM and 80 nM for GC/GO‐APTMS/AgNPs and GC/GO‐MPTS/AgNPs, respectively. GC/GO‐APTMS/AgNPs and GC/GO‐MPTS/AgNPs exhibit sensitivity of 0.26 μA μM−1cm−2 and 0.46 μA μM−1 cm−2, respectively for NO2− determination. The modified electrode, GC/GO‐APTMS/AgNPs and GC/GO‐MPTS/AgNPs exhibit a wide calibration range, low detection limit, high sensitivity, selectivity, and stability for NO2− determination. Real sample analysis of tomato ketchup was performed at GC/GO‐APTMS/AgNPs and GC/GO‐MPTS/AgNPs with reliable recovery.
Synthesis and Anticancer Evaluation of Lawsone bound triazoles
Authors: Allam Vijaykumar , Jeedi Suman , Allam Vinaykumar , Nerella Srinivas , Gavaji Brahmeshwari 
Published: February 2024

AbstractHerein we report a new series of small triazole hybrid molecules from a naturally occurring orange pigment called lawsone using click protocol. Further, the synthesized compounds were screened for their potent anticancer activity against human tumor cell lines i. e., HeLa, A‐549, HepG2 and HEK‐293. Among the synthesized compounds, 5 d, 5 h and 5 i (5 h being the most potent among these compounds) have manifested significant anticancer activity by triggering apoptosis almost similar to that of standard drug cisplatin. Molecular docking studies (MDS) of 5 h against EGFR (Epidermal Growth Factor Receptor) protein revealed that there were significant interactions between the drug and receptor and thus 5 h is able to inhibit the EGFR action. The free energies calculated from MDS were in good agreement with the observed IC 50 values. Additionally, the ADMET calculations for Druglikeness of active compound (5 h) yielded favourable results.
Pn@MF@SiO2 Double‐Shelled Phase Change Microcapsules with High Latent Heat and Low Leakage Rate
Authors: Li Yujiao , Cai Tianyu , Li Yongsheng , Jiang Zhuoni , He Fangfang , Chen Zhengguo , Ali Hafiz Muhammad , Shehzad Nadia , Waqas Adeel , Yang Wenbin 
Published: February 2024

AbstractMicroencapsulation of paraffin with melamine formaldehyde shell (Pn@MF) shows the drawbacks of low thermal conductivity. Hence, we constructed SiO2 shells on Pn@MF phase change microcapsules by interfacial polycondensation to obtain Pn@MF@SiO2 double‐shelled microcapsules. The effect of tetraethoxysilane (TEOS) contents on the performance of Pn@MF@SiO2 was discussed in detail. As the TEOS contents increased, the thermal conductivity of Pn@MF@SiO2 gradually increased, reaching up to 0.376 W m−1 K−1. The Pn@MF@SiO2 have exhibited superior leakage‐proof properties and thermal reliability through double‐shelled protection, and the highest reduction in leakage rate reached 45.06 % compared to Pn@MF microcapsules. The Pn@MF@SiO2‐3 with the lowest enthalpy still exhibit a latent heat storage capacity of more than 176 J/g, which displayed outstanding latent heat storage/release capability and good anti‐permeable property.
Structure and properties of ZnO‐organobentonite‐filled natural rubber composites
Authors: Pankam Prakaidao , Sae‐Oui Pongdhorn , Khaorapapong Nithima , Boonchiangma Suthasinee , Siriwong Chomsri 
Published: February 2024

AbstractThis study involved the preparation of composites consisting of zinc oxide (ZnO) nanoparticles deposited within the structure of organophilic bentonite. These composites were subsequently utilized as fillers in natural rubber (NR). The organobentonites were initially prepared via a cation exchange reaction using alkylammonium ions with different chain lengths (C8N−C18N) and later deposited by ZnO nanoparticles. The identification of the ZnO‐organobentonites was conducted using various techniques, including powder X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV‐Vis spectroscopy, etc. The findings demonstrate the successful deposition of ZnO nanoparticles within the organobentonite's structure. The basal space between the silicate layers increased with the increasing chain length of alkylammonium ions. When added to NR, the ZnO‐organoclays mutually acted as a cure activator and filler. As expected, the ZnO‐organoclay modified by octadecylammonium ions (C18N) showed the greatest reinforcement due to its highest capability to enlarge the basal space between the silicate layers.
Na₂ – Eosin Y – Photocatalyzed Cross Dehydrogenative C−S Coupling of Arylthiols with Indole Derivatives
Authors: Trinadh Ballanki , Kadamannil Binduja , Viswambharan Baby 
Published: February 2024

AbstractHerein, we have accomplished a simple visible light mediated protocol for the cross dehydrogenative coupling of arylthiols with indoles in excellent yields. Eosin Y disodium salt is used as a photocatalyst for generating the arylsulfur radical under blue light irradiation as confirmed by the quenching, radical scavenging and EPR studies. Among the synthesized arylthioindoles, 5‐bromo‐3‐((4‐methoxyphenyl)thio)‐1H‐indole possess antibacterial properties. These 3‐arylthioindoles were further transformed into indolyl‐3‐arylsulfones and indolyl‐3‐arylsulfoxides, a potent class of non‐nucleoside reverse transcriptase inhibitors against human immunodeficiency virus (HIV) type I.
Design of a Nanodelivery System with High Loading Efficiency by Improving π‐π Interactions with Drugs
Authors: Gan Lu , Li Yuxuan , Xia Yongzhi , Yang Jing , Chen Yan 
Published: February 2024

Abstractπ‐π interactions, serving as a pivotal driving force, hold enduring significance in the realm of drug delivery system development, primarily due to the prevalence of aromatic moieties in a substantial number of clinically relevant pharmaceutical compounds. Herein, we constructed a novel carbon nitride compound called PTCNx, featuring a large π‐conjugated skeleton, and employed it as a carrier for delivering aromatic clinical drugs for the first time. We conducted sequence characterization of their chemical structure, optical properties, and morphology, along with extensive research to analyze their significant enhancement in drug loading capacity. Of particular note was the exceptional loading efficiency of Doxorubicin (DOX) under alkaline conditions, achieving an unexpected 99 % efficacy, significantly surpassing the capabilities of traditional carbon nitrides with limited π‐conjugated systems. Cell tests illustrated that PTCN550 carrier exhibited favorable biocompatibility and low toxicity for normal and tumor cells, showing its potential as a drug carrier. However, PTCN550‐DOX complex effectively inhibited both A549 and CNE‐2Z tumor cells. And it demonstrated more effective anti‐tumor activity for CNE‐2Z than for A549 cells. This study marks a significant milestone, representing the inaugural endeavor to elucidate the improvement in loading capacity through the strategic extension of the π‐conjugated system design paradigm.
A Theoretical Investigation on the Properties of Charge Transport of Hexaazatrinaphthylene Derivatives
Authors: B Jothi. , Arputharaj A. David Stephen , K Selvaraju. , S Lara Priyadharshini. , Al‐Sehemi Abdullah G 
Published: February 2024

AbstractA hexaazatrinaphthylene [HAT] is a well‐known halogenated perylene diimide compound recognized for photochemical stability, high electron affinity, easy functionalization, and high conductivity. Based on density functional theory, optoelectronic and charge transport properties of HAT derivatives with electron‐donating, electron‐withdrawing, and push‐pull substituents, were investigated. The impact of substituting electron‐withdrawing groups (EWG), electron‐donating groups (EDG), and push‐pull substituents on various aspects, including molecular structure, frontier molecular orbitals, ionization energy, electron affinity, reorganization energy, crystal packing, and charge carrier mobility, is investigated. A crystal structure simulation method is employed to optimize potential arrangements of crystal packing for the molecules under examination. The presence of EWG, EDG, and push‐pull substitutions significantly affects the energy and distribution of electron density in the frontier molecular orbitals, leading to alterations in the absorption spectrum and charge transport properties. When adding various substituents to the core system, the different crystal packing motifs and varied intermolecular interactions of the examined molecules result in noticeably different transfer integrals. Due to higher hole reorganization energy and weak HOMO orbital overlapping, HAT derivative molecules exhibit better electron mobility. Among the studied molecules, HAT‐F and HAT‐F‐OCH3 molecules demonstrate better electron mobility with values of 0.49 and 2.36 cm2 V−1 s−1, respectively, and established the n‐channel characteristics.
Synthesis and Anticancer Activities of some Ag(I) Complexes Involving N‐Heterocyclic Carbene Ligands
Authors: Mageed Ahmed Hassoon , Hadi Israa Sami 
Published: February 2024

AbstractA new study focused on the synthesis of silver(I)‐N‐heterocyclic carbene complexes. The mono‐Ag(I)‐NHC complexes were successfully synthesized in high yield using a direct complexation method, which involved an excess of Ag2O and imidazolium salts (R= butyl, methylacetate) in dichloromethane. The bis‐Ag(I)‐NHC complexes, on the other hand, were synthesized using a 1 : 2 ratio of Ag2O and imidazolium salts. The ligands and resulting complexes were thoroughly characterized using analytical techniques such as FT‐IR, NMR spectroscopy, LC–MS and elemental analysis. Subsequently, the synthesized complexes were tested against MCF7 breast cancer cells. The results of the study highlighted the remarkable anticancer potential exhibited by the Ag(I)‐NHC complexes against breast cancer cells. Interestingly, it was observed that the mono Ag(I) NHC complexes demonstrated greater potency, with IC50 values ranging from 5 to 13.5 μg/mL, when compared to their bis‐Ag(I)‐NHC counterparts.
Efficient Electron Transfer across Strontium Titanate Decorated Graphene Oxide for High‐Performance Dye‐Sensitized Solar Cells and Photocatalytic Degradation of Dye and Antibiotic
Authors: Aravinthkumar K. , Raja Mohan C. 
Published: February 2024

AbstractUnderstanding synergistic interface features is a crucial step towards adjustable and controllable interfaces for photocatalytic and photovoltaic devices. In this work, a novel layer‐structured rGO hybrid with SrTiO3 (STO/rGO) based binary composite has developed via hydrothermal method. The highly stable STO/rGO is used to construct a dual‐functional platform for dye, antibiotic degradation and DSSC. The photocatalytic activities of STO/rGO composites were examined using Methylene Blue (MB) and Tetracycline (TC) degradation in an aqueous solution under white light irradiation. The catalyst containing STG‐3 exhibited outstanding photocatalytic degradation efficiency of 93.06 % and 95.23 % toward MB and TC, respectively. In addition, the hybrid composites‐based photoanode had the most outstanding efficiency of 3.74 % with an increase in JSC. The performance is far better than pristine STO. The improved efficiency is ascribed to the strong interconnectivity, excellent crystallinity, higher surface area and high porosity, which results in reduced interfacial charge recombination loss, outstanding dye adsorption and better electron transport. Furthermore, a predicted mechanism is provided to explain the higher performance of STO/rGO hybrid composites.
Comparative Analysis of PEG‐Free and PEG‐Based Self‐Emulsifying Drug Delivery Systems for Enhanced Oral Bioavailability of Therapeutic (Poly) Peptides
Authors: Haddadzadegan Soheil , To Dennis , Matteo Jörgensen Arne , Wibel Richard , Laffleur Flavia , Bernkop‐Schnürch Andreas 
Published: February 2024

AbstractThis study aims to compare the potential of Polyethylene glycol (PEG‐free and PEG‐based self‐emulsifying drug delivery systems (SEDDS) for the oral administration of insulin glargine (IG). Hydrophobic ion pairs (HIPs) of IG are formed using various counterions. HIPs are assessed for log P octanol/water and dissociation behavior. They are incorporated into SEDDS based on polyglycerol (PG) and zwitterionic surfactant (ZW) using response surface methodology and compared to conventional PEG‐SEDDS in size, stability, and log D SEDDS/release medium. Oral IG bioavailability in PG/ZW‐SEDDS and PEG‐SEDDS is evaluated in rats. Among the various counterions studied, IG‐BIS (bis(isotridecyl)sulfosuccinate) HIPs demonstrated the highest log P and an improved dissociation profile. PG/ZW‐SEDDS and PEG‐SEDDS have similar ≈40 nm sizes and are stable over 24 h. Both formulations have log D > 4 in water and >2 in 50 mM phosphate buffer pH 6.8. PG/ZW‐SEDDS yielded an oral bioavailability of 2.13 ± 0.66% for IG, while the employment of PEG‐SEDDS resulted in an oral bioavailability of 1.15 ± 0.35%. This study highlights the prospective utilization of PEG‐free SEDDS involving the concurrent application of PG and ZW surfactants, an alternative to conventional PEG surfactants, for improved oral therapeutic (poly) peptide delivery.
Bioinspired Synaptic Branched Network within Quasi‐Solid Polymer Electrolyte for High‐Performance Microsupercapacitors
Authors: Lee Dawoon , Yang Mino , Choi U. Hyeok , Kim Jaekyun 
Published: February 2024

AbstractThe branched network‐driven ion solvating quasi‐solid polymer electrolytes (QSPEs) are prepared via one‐step photochemical reaction. A poly(ethylene glycol diacrylate) (PEGDA) is combined with an ion‐conducting solvate ionic liquid (SIL), where tetraglyme (TEGDME), which acts like interneuron in the human brain and creates branching network points, is mixed with EMIM‐NTf2and Li‐NTf2. The QSPE exhibits a unique gyrified morphology, inspired by the cortical surface of human brain, and features well‐refined nano‐scale ion channels. This human‐mimicking method offers excellent ion transport capabilities through a synaptic branched network with high ionic conductivity (σDC≈ 1.8 mS cm−1at 298 K), high dielectric constant (εs≈ 125 at 298 K), and strong ion solvation ability, in addition to superior mechanical flexibility. Furthermore, the interdigitated microsupercapacitors (MSCs) based on the QSPE present excellent electrochemical performance of high energy (E  =  5.37 µWh cm−2) and power density (P  =  2.2 mW cm−2), long‐term cycle stability (≈94% retention after 48 000 cycles), and mechanical stability (>94% retention after continuous bending and compressing deformation). Moreover, these MSC devices have flame‐retarding properties and operate effectively in air and water across a wide temperature range (275 to 370 K), offering a promising foundation for high‐performance, stable next‐generation all‐solid‐state energy storage devices.
Controlling Nucleation and Crystallization of CsPbI3 Perovskites for Efficient Inverted Solar Cells
Authors: Yang Man , Mo Kangwei , Zhu Xueliang , Liu Yong , Yan Ning , Wang Zhiping 
Published: February 2024

AbstractThe unfavorable morphology and high crystallization temperature (Tc) of inorganic perovskites pose a significant challenge to their widespread application in photovoltaics. In this study, an effective approach is proposed to enhance the morphology of cesium lead triiodide (CsPbI3) while lowering its Tc. By introducing dimethylammonium acetate into the perovskite precursor solution, a rapid nucleation stage is facilitated, and significantly enhances the crystal growth of the intermediate phase at low annealing temperatures, followed by a slow crystal growth stage at higher annealing temperatures. This results in a uniform and dense morphology in CsPbI3 perovskite films with enhanced crystallinity, simultaneously reducing the Tc from 200 to 150 °C. Applying this approach in positive‐intrinsic‐negative (p‐i‐n) inverted cells yields a high power conversion efficiency of 19.23%. Importantly, these cells exhibit significantly enhanced stability, even under stress at 85 °C.
Aerobically Autoxidized Self‐Charge Concept Derived from Synergistic Pyrrolic Nitrogen and Catechol Configurations in N, O Co‐Doped Carbon Cathode Material
Authors: Wang Junyan , Zhang Bosen , Zhang Jiamin , Xing Hanyu , Shi Yuning , Tian Kesong , Guo Wanchun , Xu Junjie , Liu Shuhu , Li Xueai , Xie Haijiao , Wang Haiyan 
Published: February 2024

AbstractAerobically autoxidized self‐charging concept has drawn significant attraction due to its promising chemical charge features without external power supply. Particularly, heteroatom‐doped carbon materials with abundant oxidizable sites and good conductivity are expected to be ideal cathode materials. However, there is no well‐defined aerobically autoxidized self‐charging concept based on heteroatom‐doped carbon materials, significantly hindering the design of related carbon cathodes. An aerobically autoxidized self‐chargeable concept derived from synergistic effect of pyrrolic nitrogen and catechol configuration in carbon cathode using model single pyrrolic nitrogen and oxygen (N‐5, O) co‐doped carbon and O‐enriched carbon is proposed. First, self‐charging of N‐5, O co‐doped carbon cathode can be achieved by aerobic oxidation of pyrrolic nitrogen and catechol to oxidized pyrrolic nitrogen and ortho‐quinone configurations, respectively. Second, introducing a single pyrrolic nitrogen configuration enhanced acidic wettability of N‐5, O co‐doped carbon facilitating air self‐charge/galvanic discharge involving proton removal/introduction. Third, synergistic effect of pyrrolic nitrogen and hydroxyl species with the strong electron‐donating ability to conjugated carbon‐based backbone endows N‐5, O co‐doped carbon with a higher highest occupied molecular orbital (HOMO) energy level more susceptible to oxidation charging. The assembled Cu/Carbon batteries can drive a timer after every air‐charging run. This promising aerobically autoxidized self‐charging concept can inspire exploring high‐efficiency self‐charging devices.
Regulating Grafting Density to Realize High‐Areal‐Capacity Silicon Submicroparticle Anodes Under Ultralow Binder Content
Authors: Li Zeheng , Qiu Juncheng , Tang Weiting , Wan Zhengwei , Wu Zhuoying , Lin Zhen , Lai Guoyong , Wei Xiujuan , Jin Chengbin , Yan Lijing , Wu Shuxing , Lin Zhan 
Published: February 2024

AbstractGrafted biopolymer binders are demonstrated to improve the processability and cycling stability of the silicon (Si) nanoparticle anodes. However, there is little systematical exploration regarding the relationship between grafting density and performance of grafted binder for Si anodes, especially when Si particles exceed the critical breaking size. Herein, a series of guar gum grafted polyacrylamide (GP) binders with different grafting densities are designed and prepared to determine the optimal grafting density for maximizing the electrochemical performance of Si submicroparticle (SiSMP) anodes. Among various GP binders, GP5 with recommended grafting density demonstrates the strongest adhesion strength, best mechanical properties, and highest intrinsic ionic conductivity. These characteristics enable the SiSMP electrodes to sustain the electrode integrity and accelerate lithium‐ion transport kinetics during cycling, resulting in high capacity and stable cyclability. The superior role of GP5 binder in enabling robust structure and stable interface of SiSMP electrodes is revealed through the PeakForce atomic force microscopy and in situ differential electrochemical mass spectrometry. Furthermore, the stable cyclabilities of high‐loading SiSMP@GP5 electrode with ultralow GP5 content (1 wt%) at high areal capacity as well as the good cyclability of Ah‐level LiNi0.8Co0.1Mn0.1O2/SiSMP@GP5 pouch cell strongly confirms the practical viability of the GP5 binder.
Na2.5Cr0.5Zr0.5Cl6: A New Halide‐Based Fast Sodium‐Ion Conductor
Authors: Wang Likuo , Song Zhenyou , Lou Xiaobing , Chen Yuwei , Wang Tengrui , Wang Zhongqiang , Chen Huaican , Yin Wen , Avdeev Maxim , Kan Wang Hay , Hu Bingwen , Luo Wei 
Published: February 2024

AbstractAll‐solid‐state batteries employing solid electrolytes (SEs) have received widespread attention due to their high safety. Recently, lithium halides are intensively investigated as promising SEs while their sodium counterparts are less studied. Herein, a new sodium‐ion conductor with a chemical formula of Na2.5Cr0.5Zr0.5Cl6 is reported, which exhibits high room temperature ionic conductivity of 0.1 mS cm−1 with low migration energy barrier of ≈0.41 eV. Na2.5Cr0.5Zr0.5Cl6 has a Fm‐3m structure with 41.67 mol.% of cationic vacancies owing to the occupation of Cr (8.33 mol.%) and Zr (8.33 mol.%) ions at Na sites. Supercell calculations show that the lowest columbic energy configuration has Cr/Zr/V (where V is the vacancy) clusters in the structure. Nonetheless, the clusters have mixed effects on the sodium ion conduction pathway, based on the Bond Valence Energy Landscape calculation. A global 3D Na‐ion transport percolation network can be revealed in the lowest energy supercell. Effective pathways are connected through the NaCl6 and VCl6 nodes. Besides, Raman spectroscopy and 23Na solid‐state nuclear magnetic resonance spectroscopy further prove the tunable structure of the SEs with different Cr to Zr ratios. The optimization between the concentration of Na+ and vacancies is crucial to create an improved network of Na+ diffusion channels.
Stable 1T‐MoS2 by Facile Phase Transition Synthesis for Efficient Electrocatalytic Oxygen Evolution Reaction
Authors: Dharman Ranjith Kumar , Im Hyeonae , Kabiraz Mrinal Kanti , Kim Jeonghyeon , Shejale Kiran P , Choi Sang‐Il , Han Jeong Woo , Kim Sung Yeol 
Published: February 2024

AbstractThe 1T phase of MoS2 exhibits much higher electrocatalytic activity and better stability than the 2H phase. However, the harsh conditions of 1T phase synthesis remain a significant challenge for various extensions and applications of MoS2. In this work, a simple hydrothermal‐based synthesis method for the phase transition of MoS2 is being developed. For this, the NH2‐MIL‐125(Ti) (Ti MOF) is successfully utilized to induce the phase transition of MoS2 from 2H to 1T, achieving a high conversion ratio of ≈78.3%. The optimum phase‐induced MoS2/Ti MOF heterostructure demonstrates enhanced oxygen evolution reaction (OER) performance, showing an overpotential of 290 mV at a current density of 10 mA cm−2. The density functional theory (DFT) calculations are demonstrating the benefits of this phase transition, determining the electronic properties and OER performance of MoS2.