bluuebunny/crossref_metadata_2025 huggingface dataset:
Event‐triggered control of power buffers in DC microgrids over an unreliable network
Authors: Qian Yangyang , Premakumar Abhiram V. P. , Wan Yan , Lin Zongli , Shamash Yacov A. , Davoudi Ali
Published: September 2023

Power buffers can help improve the inertia in DC microgrids and supply the additional power demand during short load transients. This article investigates distributed event‐triggered control of power buffers over an unreliable network, subject to packet losses and transmission delays. For each power buffer, a distributed event‐triggered control law regulates the input impedance while altering its stored energy. Moreover, a dynamic event‐triggered communication mechanism determines the time sequence of control updates and data transmissions among power buffers. An appealing feature of this mechanism is a designable positive minimum inter‐event time despite packet losses and transmission delays. The closed‐loop system is shown to be exponentially stable. Controller/hardware‐in‐the‐loop studies validate the theoretical findings.
Learning to see, seeing to learn: Impacts of an online tool on volunteers' observational practices during aquatic macroinvertebrate identification
Authors: Louw Marti , Sanford‐Dolly Camellia W.
Published: September 2023

Scientific observation is a disciplinary‐informed way of looking at the world that requires the coordination of domain knowledge and perceptual skills with specialized tools and techniques to systematically identify objects, organisms, specimens, or phenomena of interest. Identification is a particular form of skilled observational practice where the observer recognizes key features for classification. Learning to see like a scientist is crucial for many citizen science activities, yet participants often have limited access to training and resources needed to practice. We posit that observational fluency development in taxonomic identification activities for citizen science has two components: (1) increased accuracy in noticing relevant features, and (2) use of more disciplinary‐based explanatory language; and self‐efficacy is crucial while developing these competencies. This study explores the extent to which an interactive visual identification platform supports learners' observational fluency development in the context of aquatic macroinvertebrate identification in environmental education. We examined changes in water quality monitoring volunteers' accuracy, self‐efficacy, and explanatory language use after participation in a training that integrated the online identification (ID) tool. Methods included surveys, focus groups, and an ID accuracy task before and after training. Our findings indicate that learners, especially novices, demonstrated increased self‐efficacy and accuracy in specimen identifications after participating in a training utilizing the online tool. They also shifted their ID justifications, incorporating more scientific terminology and salient diagnostic characters, and fewer generic descriptive adjectives. Results suggest that trainings using dynamic visual tools can positively impact observational fluency development and the quality of data contributed by volunteers.
Joint modeling the frequency and duration of accelerometer‐measured physical activity from a lifestyle intervention trial
Authors: Siddique Juned , Daniels Michael J. , Inan Gül , Battalio Samuel , Spring Bonnie , Hedeker Donald
Published: September 2023

Physical activity (PA) guidelines recommend that PA be accumulated in bouts of 10 minutes or more in duration. Recently, researchers have sought to better understand how participants in PA interventions increase their activity. Participants can increase their daily PA by increasing the number of PA bouts per day while keeping the duration of the bouts constant; they can keep the number of bouts constant but increase the duration of each bout; or participants can increase both the number of bouts and their duration. We propose a novel joint modeling framework for modeling PA bouts and their duration over time. Our joint model is comprised of two sub‐models: a mixed‐effects Poisson hurdle sub‐model for the number of bouts per day and a mixed‐effects location scale gamma regression sub‐model to characterize the duration of the bouts and their variance. The model allows us to estimate how daily PA bouts and their duration vary together over the course of an intervention and by treatment condition and is specifically designed to capture the unique distributional features of bouted PA as measured by accelerometer: frequent measurements, zero‐inflated bouts, and skewed bout durations. We apply our methods to the Make Better Choices study, a longitudinal lifestyle intervention trial to increase PA. We perform a simulation study to evaluate how well our model is able to estimate relationships between outcomes.
Characterization of Bismuth Trioxide Nanoparticles and Evaluating Binding Affinity with Proteins
Authors: Singh Usha , Deotale Anjali J. , Mahns David A. , Hennessy Annemarie , George Laurel , Fanna Daniel J. , Wuhrer Richard , Daswani Ujla , Malladi Chandra S.
Published: September 2023

Protein‐nanoparticle conjugation, or protein‐corona, is important for nanomedicine, nano diagnostic, and nano therapy applications. α‐Bismuth oxide nanoparticles (α‐Bi2O3 NPs) were prepared from bismuth nitrate powder using the sol‐gel method and characterized using various techniques, including Energy Dispersive X‐Ray Spectroscopy (EDS), X‐ray Diffraction (XRD), Raman spectroscopy, Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), UV‐VIS‐NIR Spectroscopy, and Brunauer‐Emmett‐Teller (BET). X‐ray diffraction studies revealed that NPs are in the alpha phase with a monoclinic structure. The energy band gap, average surface area and crystallite size are 2.81 eV, 2.42 m2, and 15–106 nm, respectively. Transmission electron microscopy revealed particle size is 32.21 nm, with a d‐spacing of 2.529 Å. The surface‐to‐volume ratio is calculated and found to be 2.553×106 m−1. For the first time, a direct protein interaction with NPs was examined with standard proteins such as bovine serum albumin (BSA), carbonic anhydrase, phosphorylase b, and total human serum proteins and analyzed using mass spectroscopy. Proteomic analysis showed that proteins such as BSA, phosphorylase b, and carbonic anhydrase exhibited a strong affinity with Bi2O3 NPs. However, it was found that there was less or no association between Annexin A6, human serum albumin, Zinc finger protein, and Bestrophin‐2 with Bi2O3 NPs.
An Interhalogen‐Based Binary Redox Couple for the Efficiency Enhancement of Type‐II Dye‐Sensitized Solar Cells
Authors: Rahman Md. Mahbubur , Kwaku Asiam Francis , Chandra Deb Nath Narayan , Lee Jae‐Joon
Published: September 2023

In this work, the photovoltaic (PV) performance of dye‐sensitized solar cells (DSSCs), sensitized with salicylic acid (SA) and indole‐3‐acetic (IAA) and mediated by iodide (I−)/tri‐iodide (I3−), binary‐redox system (I−, Br−)/(I3−, I2Br−), and bromide (Br−)/tri‐bromide (Br3−), were investigated. The (I−, Br−)/(I3−, I2Br−) redox electrolyte induced the highest recombination resistance at the TiO2/dye/electrolyte interface for both SA and IAA‐sensitized DSSCs. Concurrently, additive‐free binary electrolyte‐based cells showed enhanced dye regeneration capability and decreased rate of back reaction compared to the cells prepared with additive‐free I−/I3− and Br−/Br3− electrolytes. Energy band alignment of SA and IAA and the optical analyses revealed the direct one‐step electron injection into the conduction band of TiO2 upon photoexcitation. Further, additive‐containing electrolytes showed decreased PV performance compared to the additive‐free electrolytes in both molecules sensitized DSSCs, conceivably due to the increased rate of back reaction with decreased charge collection efficiency. Thus, a maximum power conversion efficiency (PCE) of 0.57 % was attained for SA‐sensitized DSSCs based on additive‐free binary redox mediator, while the PCE values for additive‐free I−/I3− and Br−/Br3− electrolytes‐based identical cells were 0.19 and 0.54 %, respectively. This research suggests that the binary redox couple is a potential candidate for the PCE improvement of type‐II DSSCs.
Titanium Tetrachloride‐Based Ionic Liquids Immobilized on Mesoporous Fe‐MCM‐41 for the Heterogeneous Cooperative Synthesis of Dihydroquinazolinones
Authors: Hu Yu Lin , Rong Qi , Chen Chen , Liang Chen Hong
Published: September 2023

In this study, we report a successful strategy for the generation of a type of multifunctional heterogeneous supported ionic liquids catalysts. The synthesized supported ionic liquids (Fe‐MCM‐41/IL) were used in the catalytic cyclocondensation of 2‐aminobenzamide and various ketones and aldehydes towards the efficient synthesis of the dihydroquinazolinones under green conditions. The influence of the different catalysts and reaction parameters on the catalytic behaviors were sufficiently investigated. The supported catalyst (2)Fe‐MCM‐41/IL(0.6) showed the optimal catalytic efficiency. A hot filtration experiment revealed that the reaction proceeded in a heterogeneous pathway. The catalytic activity of (2)Fe‐MCM‐41/IL(0.6) could be maintained efficiently after recycling up to five consecutive runs under the optimized reaction conditions. Merits of this meticulously designed protocol are the use of novel supported catalyst, easy work‐up process, feasibility and sustainability, indicating its potential industrial application prospect.
Synthesis of a Water‐Soluble Pd‐Based Catalyst with a Thymine‐Modified β‐Cyclodextrin Ligand for Suzuki Coupling Reactions
Authors: Li Rui , Li Mengting , Jiao Caihong , Liu Junhui , Song Yakun , Guo Xuming
Published: September 2023

Herein, the synthesis and crystal structure identification of thymine‐modified β‐cyclodextrin (mono‐(6‐Thymine‐6‐deoxy)‐β‐CD, Thy‐CD) are reported. The catalyst system (Pd@Thy‐CD) was prepared by using the thymine‐modified β‐cyclodextrin as ligand and palladium acetate (Pd(OAc)2) as palladium source. The as‐obtained Pd@Thy‐CD catalyst was characterized by NMR, IR, SEM, and XPS analysis. The catalyst can efficiently catalyze the aqueous phase Suzuki coupling reaction in situ. Under mild reaction conditions, the catalyst system provides excellent yields for the Suzuki coupling reaction of aryl halides, including with aryl chlorides and aryl boronic acids in water. The major advantages of this technique are the ease of preparation of the palladium catalyst, the aqueous phase coupling reaction, the broad functional group tolerance, and the easy recyclability.
Ethanol as a ‘Catalyst’ for Effective Phase Transfer and Self‐Assembly of Gold Nanorods
Authors: Zhang Min , Deng Tian‐Song , Cheng Zhiqun
Published: September 2023

Transferring gold nanorods (GNRs) from an aqueous solution to a non‐polar solvent enhances self‐assembly, promotes biocompatibility, and boosts surface‐enhanced Raman scattering (SERS). However, the strong attachment ability of toxic hexadecyltrimethylammonium bromide (CTAB) to GNRs presents a significant challenge in the fall of CTAB and combining with other substances for self‐assembly and SERS applications. We propose a solution that employs ethanol as a ‘catalyst’ to lower the critical micelle concentration (CMC) of CTAB and efficiently combine it with the organosilanes formed by the hydrolysis of mercaptopropyltrimethoxysilane (MPS) and octadecyltrimethoxysilane (ODS). The samples were characterized by UV‐vis‐NIR spectroscopy, transmission electron microscopy (TEM), and energy disperse spectroscopy (EDS) mapping. A detailed interpretation of the phase transfer processes was provided. The modified particles were effectively dispersed in toluene and formed thin films at the air‐water interface through self‐assembly, which was confirmed by scanning electron microscopy (SEM) and optical microscopy. These films can serve as a platform for SERS.
A Sensitive Electrochemical Sensor Based on Hollow Spindle Ferric Oxide for the Determination of Hydrogen Sulfide
Authors: Lei Cang , Song Wenyu , Wei Yuantao , He Xiaoping , Zhang Lu , Yang Yuxiao , Xiao Chunhui
Published: September 2023

A one‐step hydrothermal synthesis method was used to synthesize ferric oxide nanoparticles with unique hollow spindle microstructure, which were mixed with conductive carbon black (CCB) to construct an electrochemical sensor to realize the highly sensitive detection of trace hydrogen sulfide (H2S) in biological samples. Our findings suggested that hollow spindle ferric oxide (Hs‐Fe2O3) held good electrocatalytic activity toward H2S, which mainly depended on the coupling effect of Fe (III)/Fe (II) significantly reduced the overpotential of electro‐oxidation reaction of H2S. Importantly, the unique structure of the hollow spindle provided more catalytic active sites and more efficient mass transfer process, which effectively improved the detection performance. The proposed sensor had good sensing performances, with excellent sensitivity (2.4 times of commercial Fe2O3/CCB), low detection limit (1.86 μM), wide linear range (7.6~152 μM) and favorable selectivity. Furthermore, quantitative detection of H2S was achieved in fetal bovine serum samples, which confirmed that the sensor could become a promising strategy for detecting H2S in the pathological study of related diseases.
Synthesis, Characterization, Photophysical, Lifetime and NLO Studies of Chromenes
Authors: Palapetta Surya Cholayil , Kaviyarasan R. , Harichandran G.
Published: September 2023

2‐Aminobenzochromenes and dihydropyranchromenes represent a unique class of biologically active compounds. We concentrate on the synthesis of biologically active compounds of chromenes using an environmentally friendly, heterogeneous green Amberlite IRA 400‐Cl resin catalyst. These chromene‐structured compounds enable them to be used as fluorescent sensors. The selected chromenes have been used as metal ion sensors to study their photophysical characteristics.
Study on the Morphological Mechanism of MoS2 Growth by NaCl‐Assisted Chemical Vapor Deposition
Authors: Wu Jinchao , Zhang Yandong , Jia Zhiyuan , Ma Zhongge , Song Jinhui
Published: September 2023

Monolayer MoS2 is a two‐dimensional transition‐metal dichalcogenide (TMD), and its atomic‐level thickness makes it an appealing research target in beyond‐silicon devices. Future practical uses are intimately related to controllable synthesis of materials at present, and salt‐assisted chemical vapor deposition (SA‐CVD) offers a promising way. However, the specific growth mechanism of alkali metal salts on MoS2 crystal development and their influence on optoelectronic characteristics of the as‐grown MoS2 crystals is not fully identified. Here, based on large amount experiments, we present a vapor‐liquid‐solid (VLS) edge‐adsorbed growth model for synthesizing MoS2 nanoflakes, emphasizing the edge‐adsorbed phenomena of the alkali metal element Na in regulating MoS2 crystal shape. Through controlling flow rate of carrier gas, the MoS2 defective morphology can be effectively suppressed. This study contributes to a better understanding of the role of alkali metal halide salts in TMD development by providing experimental and theoretical evidence, which is critical for synthesizing high quality TMD by alkali metal halide salts catalyst.
Total and Diverted Total Synthesis of Pyrrolo‐Quinazolinone Alkaloids and Their Analogues
Authors: Rasapalli Sivappa , Huang Yanchang , Sammeta Vamshikrishna Reddy , Alshehry Reem , Anver Fazmina , Shivasankar Krishnamoorthy , Chavan Subash P.
Published: September 2023

A short and expeditious total and diverted total synthesis of luotonin, vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone intermediate which was accessed from simple substituted anthranilamide obtained from the coupling of β‐alanate with isatoic anhydride followed by Dieckmann condensation chemistry of the resulting diester. The tricyclic ketone exhibited interesting chemical properties, e. g. keto‐enol tautomerism. Friedlander condensation and Fischer‐Indolization were employed for further annulations to access polycyclic alkaloids and their analogues.
Fabrication of Superhydrophobic/Superoleophilic Kitchen Sponge for Removal and Separation of Oil from Water
Authors: He Meiru , Wang Huameng , Cheng Yuanyuan , Niu Qian , He Linlin , Liu Chunxue
Published: September 2023

Superhydrophobic/superoleophilic kitchen sponge has been fabricated successfully with water contact angle (WCA) about 153°, and organic solvent contact angle (CA) almost 0°. Scanning electron microscope (SEM), energy dispersive X‐ray spectra (EDX) and X‐ray photoelectron spectroscopy (XPS) were investigated respectively to characterize the surface morphology and chemical compositions. The superhydrophobic/superoleophilic kitchen sponge can easily remove organic solvent from water, such as chloroform, toluene, hexane, diethyl ether, ethyl acetate, peanut oil, and the adsorption capacity was about 28~59 times of the sponge's own weight. The recyclability of the superhydrophobic/superoleophilic sponge was very good even after 10 times. The absorbed oil can be removed by immersing into ethanol solution for 3 times and drying for 20 min at 50 °C. This superhydrophobic/superoleophilic sponge can also be used to separate various oil from water, such as chloroform and hexane, no matter heavy oil or light oil. Its excellent performance will offer important potential values for various applications and facilitate its industrialization.
One‐Pot Three‐Component Synthesis of 4‐Arylpyrimidin‐2‐amines Using Solid Calcium Carbide as a Surrogate of Gaseous Acetylene
Authors: Liao Haiyan , Li Zheng
Published: September 2023

An efficient method for the synthesis of 4‐arylpyrimidin‐2‐amines by the reactions of various aromatic aldehydes, guanidine and calcium carbide through one‐pot three‐component procedure is described. The salient features for this protocol are the use of an inexpensive and easy‐to‐handle solid calcium carbide instead of flammable and explosive gaseous acetylene as an alkyne source, cheap transition‐metal mediator, commercially available starting materials, wide substrate scope, satisfactory yield, and the simple workup procedure. The related reaction can also be extended to gram scale.
A Novel Bimetallic BaCu2O3 Catalyst for Csp2‐O Cross‐Coupling Reactions of Phenols with Arylhalide
Authors: Panda Subhalaxmi , Kumar Behera Pradyota , Behera Papita , Swain Amlan , Kumar Pradhan Amit , Rout Laxmidhar
Published: September 2023

A new oxygen bridged [Cu‐O‐Ba] bimetallic catalyst is synthesized. The novel catalyst is used for Csp2‐O cross‐coupling reactions of phenols with haloarenes. Iodo‐, bromo‐, and unactivated chloro‐arenes could be coupled with aryl phenols efficiently in high yield. Moreover, functional groups were well tolerated using this protocol. The catalyst is Eco‐friendly, air stable, recyclable and efficient.
Catalyst‐ and Solvent‐Free Synthesis of Pentacyclic‐dione Derivatives from 4‐Hydroxythiocoumarin and Aldehyde Using Pseudo‐Three‐Component Reaction
Authors: Goswami Ujjwal Jyoti , Xalxo Anjela , Khan Abu Taleb
Published: September 2023

The synthesis of hitherto unreported pentacyclic‐dione derivatives having three heteroatoms in the ring is reported from 4‐hydroxythiocoumarins and aryl (hetero)/alkyl aldehydes under solvent‐ and catalyst‐free conditions through pseudo‐three‐component reaction. The reaction proceeds through Knoevenagel condensation of 4‐hydroxythiocoumarin with aldehyde followed by Michael addition with another molecule of 4‐hydroxythiocoumarin with the elimination of hydrogen sulfide to furnish the final product. The salient features of this protocol are mild reaction conditions, good yield, broad substrate scope, no need for catalyst or solvent or chromatographic separation, and high atom economy.
Recent Advances in the Anticancer Applications of Benzimidazole Derivatives
Authors: Mavvaji Mohammad , Akkoc Senem
Published: September 2023

Cancer, one of the most deadly diseases worldwide, is still a crucial challenge to human well‐being. Hence, the design and development of modern protocols to cure diverse kinds of cancer seem highly necessary. On the other hand, benzimidazole, as an essential pharmacophore, exhibits various biological and therapeutic potency. This compound is well‐known for its pharmaceutical features, including antifungal, antiviral, antibacterial, and anticancer activities. Therefore, benzimidazole derivatives have played an essential role due to their outstanding anticancer capability, apoptotic effect, and inhibitory potential. In recent decades, numerous anticancer drug types of research have been concentrated on finding new and practical strategies for employing benzimidazole‐based compounds. This review focuses on the latest advancements and methodologies for exploiting various benzimidazole‐bearing compounds for the treatment of varied sorts of cancer, considering the mechanism of their function against cancer cell lines.
N‐Heterocyclic Thione‐Coordinated Dinuclear Bismuth(III) Trihalides with a Rare Geometry
Authors: Nandeshwar Muneshwar , Mannarsamy Maruthupandi , Adinarayana Mannem , Prabusankar Ganesan
Published: September 2023

Two thione‐coordinated dinuclear bismuth(III) halides were isolated with a rare geometry and characterized using FT‐IR, NMR, and single‐crystal X‐ray diffraction techniques. The sterically less crowded N‐heterocyclic thione ligand gave bismuth(III) chloride‐thione complex in cis isomeric form, while the sterically more crowded N‐heterocyclic thione ligand gave dinuclear bismuth(III) bromide‐thione complex in facial isomeric form. Continuous shape measurement (CShM) revealed that the bismuth centres in cis‐bismuth(III) chloride‐thione complex adopts distorted octahedral geometry with the CShM values of 2.103, which is remarkably different compared to the facial‐dinuclear bismuth(III) bromide‐thione complex (1.071 and 0.391).
GABA–AT Inhibitors: Design, Synthesis, Pharmacological Characterization, Molecular Docking and ADMET Studies
Authors: Seyma Sevincli Zekiye , Bildirici Nurettin , Cetin Adnan , Bildirici Ishak
Published: September 2023

γ‐aminobutyric acid (GABA) is the main neuroinhibitory transmitter and a non‐proteinogenic amino acid in the brain. When the brain concentration of GABA diminishes below a threshold level, it can cause excess neuronal excitation and lead to convulsions. γ‐Aminobutyric acid aminotransferase (GABA‐AT) is an enzyme that catalyzes the conversion of GABA to succinic semialdehyde in the GABA shunt pathway and responsible for breaking down GABA in the brain. By inhibiting GABA‐AT activity, it may be possible to increase the levels of GABA in the brain and reduce the likelihood of seizures. Herein, the synthesis and evaluation of α‐pyrazolo‐(aryl/alkyl)methyl‐ketone and pyrazolo[5,1‐a]isoquinoline derivatives were carried out anticonvulsant activity, with a focusing on GABA‐AT inhibition. In total, 20 novel compounds were synthesized, and characterized with binding assays at GABA‐AT receptor, in the 0.060±0.01 to 5.99±0.10 micromolar range. The ADMET predictions and drug‐like characteristics of α‐pyrazolo‐(aryl/alkyl)methyl‐ketone and pyrazolo[5,1‐a]isoquinoline compounds were identified by pharmacokinetic investigations. Furthermore, the predicted analogue‐enzyme complexes with docking scores were in the range of −7.3 to −10.5, and their SAR analysis was found to be significant of α‐pyrazolo‐(aryl/alkyl)methyl‐ketone and pyrazolo[5,1‐a]isoquinoline structures in medicinal chemistry. Our results revealed that this new structural information will be useful for the future design and synthesis of activity‐based GABA‐AT inhibitors.
Synthesis of BODIPY Organophotocatalysts by Boron Functionalization with Quinine Derivatives and Applications in Asymmetric Photooxygenation
Authors: Coutant Corinne , Fischer Jérôme , Nun Pierrick , Coeffard Vincent
Published: September 2023

Boron dipyrromethene (BODIPY) derivatives are key dyes owing to their interesting (electro)chemical and spectroscopic properties. These features have been exploited in various scientific domains such as materials science, biomedicine or organic synthesis. In particular, heavy‐atom containing BODIPY photocatalysts have found widespread applications in photoredox and energy transfer catalysis. The covalent attachment of heavy atoms to the boron dipyrromethene core enables the population of the triplet state through intersystem crossing (ISC), which is involved in the generation of singlet oxygen via triplet‐triplet energy transfer. While the functionalization of the dipyrromethene core has been extensively studied, investigations on boron substitution is far less described. In this work, boron functionalization of diiodo‐BODIPY dyes has enabled the grafting of quinine derivatives leading to a new family of chiral photosensitizers. The photophysical properties and the photostability of these photocatalysts have been investigated in dichloromethane and methanol. Preliminary investigations in asymmetric photooxidative processes have demonstrated the synthetic potential of these BODIPY‐quinine dyes in photoorganocatalysis.
Non‐Steady‐State Symmetry Breaking Growth of Multilayered SnSe2 Nanoplates
Authors: Ran Yutong , Zhao Runni , Meng Chen , Shang Nianze , Sun Shuo , Liu Kaihui , Zhu Hongwei
Published: September 2023

The use of non‐equilibrium growth modes with non‐steady dynamics is extensively explored in bulk materials such as amorphous and polycrystalline materials. Yet, research into the non‐steady‐state (NSS) growth of two‐dimensional (2D) materials is still in its infancy. In this study, multilayered tin selenide (SnSe2) nanoplates are grown by chemical vapor deposition under NSS conditions (modulating carrier gas flow and temperature). Given the facile diffusion and inherent instability of SnSe2, it proves to be an apt candidate for nucleation and growth in NSS scenarios. This leads to the emergence of SnSe2 nanoplates with distinct features (self‐growth twisting, symmetry transformation, interlayer decoupling, homojunction, and large‐area 2D domain), exhibiting pronounced second harmonic generation. The authors’ findings shed light on the growth dynamics of 2D materials, broadening their potential applications in various fields.
Brownian Relaxation Shakes and Breaks Magnetic Iron Oxide‐Polymer Nanocomposites to Release Cargo
Authors: Izak‐Nau Emilia , Niggemann Louisa P. , Göstl Robert
Published: September 2023

Magnetic nanoparticles (NPs) are widely employed for remote controlled molecular release applications using alternating magnetic fields (AMF). Yet, they intrinsically generate heat in the process by Néel relaxation limiting their application scope. In contrast, iron oxide NPs larger than ≈15 nm react to AMF by Brownian relaxation resulting in tumbling and shaking. Here, such iron oxide NPs are combined with polymer shells where the shaking motion mechanically agitates and partially detaches the polymer chains, covalently cleaves a fraction of the polymers, and releases the prototypical cargo molecules doxorubicin and curcumin into solution. This heat‐free release mechanism broadens the potential application space of polymer‐functionalized magnetic NP composites.
Electrochemical Oxidation of Furfural on NiMoP/NF: Boosting Current Density with Enhanced Adsorption of Oxygenates
Authors: Zeng Zhiwei , Wu Shutao , Huang Xun , Wei Zidong
Published: September 2023

Substituting the low‐value oxygen evolution reaction (OER) with thermodynamically more favored organic oxidation such as furfural oxidation reaction (FOR) is regarded as a perspective approach to decrease energy cost of hydrogen evolution from water splitting. However, the kinetic of FOR can be even more sluggish than OER under large current density. In this work, a strategy is proposed to accelerate FOR by enhancing the adsorption of oxygenates on active sites. Over the prepared NiMoP/NF anode, only 1.46 V versus RHE is required in furfural solution to achieve 500 mA cm−2, significantly better than the OER activity over commercial RuO2/NF under the same current density (1.57 V vs RHE).
Negatively Charged Hydrophobic Carbon Nano‐Onion Interfacial Layer Enabling High‐Rate and Ultralong‐Life Zn‐Based Energy Storage
Authors: Peng Xinya , Li Yang , Kang Fulian , Li Xu , Zheng Zhiyuan , Dong Liubing
Published: September 2023

Zn‐based electrochemical energy storage (EES) systems are attracting more attention, whereas their large‐scale application is restricted by the dendrite and parasitic reaction‐caused unstable Zn anodes. Herein, a negatively charged hydrophobic carbon nano‐onion (CNO) interfacial layer is proposed to realize ultrastable and high‐rate Zn anodes, enabling high‐performance Zn‐based EES. For the CNO interfacial layer, its hydrophobicity not only blocks active water but also reduces the Zn2+ desolvation barrier, and meanwhile, the negatively‐charged CNO nanoparticles adsorb Zn2+ and repel SO42− to homogenize Zn2+ flux, accelerate Zn2+ desolvation and suppress the self‐corrosion of Zn anodes. Besides, the conductive CNO interfacial layer increases the surface area for the Zn deposition to reduce local current density. Consequently, under the modulation of the CNO interfacial layer, Zn plating/stripping exhibits impressive reversibility with an average Coulombic efficiency of 99.4% over 800 cycles, and Zn anodes present significantly enhanced electrochemical stability and rate performance, whose operation lifetime exceeds 2000 h at 1 mA cm−2 and 350 h even at 10 mA cm−2. Moreover, high‐rate and ultralong‐life Zn‐ion hybrid supercapacitors are achieved with the CNO interfacial layer‐modulated Zn anode and activated CNO cathode. This work provides new thinking in regulating the Zn deposition interface to realize high‐performance Zn‐based EES.
Transformation of SBUs and Synergy of MOF Host–Guest in Single Crystalline State: Ingenious Strategies for Modulating Third‐Order NLO Signals
Authors: Sun Yupei , Xu Wenjuan , Lang Feifan , Wang Huarui , Pan Fangfang , Hou Hongwei
Published: September 2023

Central metal exchange can innovatively open the cavity of metal‐organic frameworks (MOFs) by alternating the framework topology. Here, the single‐crystal‐to‐single‐crystal (SC‐SC) transformation is reported from a Co‐based MOF {[Co1.25(HL)0.5(Pz‐NH2)0.25(µ3‐O)0.25(µ2‐OH)0.25(H2O)]·0.125 Co·0.125 L·10.25H2O}n (Co‐MOF, L = 5,5'‐(1H‐2,3,5‐triazole‐1,4‐diyl)diisophthalic acid) into two novel MOF materials, {[Cu1.75L0.75(Pz‐NH2)0.125(µ3‐O)0.125(µ2‐OH)0.25(H2O)0.375]•3CH3CN}n (Cu‐MOF) and {[Zn1.75L0.625(Pz‐NH2)0.25(µ3‐O)0.25(µ2‐O)0.25(H2O)1.25]•4CH3CN}n (Zn‐MOF), through exchanging the Co2+ in the MOF into Cu2+ or Zn2+, respectively. The free Co2+ and L4− in the Co‐MOF channels fuse with the skeleton during the Co→Cu and Co→Zn exchange processes, leading to the expansion of the channel space and the transformation of the secondary building units (SBUs) to form an adjustable skeleton. The nonlinear optical response results show that the MOFs generated by the exchange of the central metal exhibit different saturable absorption and the self‐focusing effect. In addition, loading polypyrrole (PPy) into the MOFs can not only improve the stability of the MOFs but also further optimize the nonlinear optical behavior. This work suggests that SC‐SC central metal exchange and the introduction of polymer molecules can tune the nonlinear optical response, which provides a new perspective for the future study of nonlinear optical materials.
Perovskite Oxides Alleviate Microstrain and Anion Loss of Radially‐Aligned Ni‐Rich Ncm811 Cathodes under High‐Voltage Operations
Authors: Wang Zhihong , Wei Wu , Zhang Tao , Yu Haifeng , Li Chunzhong , Chen Ling , Jiang Hao
Published: September 2023

The energy density of Ni‐rich cathodes is expected to be further unlocked by increasing the cut‐off voltage to above 4.3 V, which nevertheless come with significantly increased irreversible phase transition and abundant side reactions. In this study, the perovskite oxides enhanced radial‐aligned LiNi0.8Co0.1Mn0.1O2(NCM811) cathodes are reported, in which the coherent‐growth La2[LiTM]O4clusters are evenly riveted into the crystals and the stable LaxCa1−x[TM]O3−xprotective layer is concurrently formed on the surface. The reciprocal interactions greatly reduce the lattice strain during de‐/lithiation. Meantime, the abundant oxygen vacancies of the coating layer are proved to reversibly capture (state of charge) and re‐release (state of discharge) the oxygen radicals, fully avoiding their correlative side reactions. The resultant NCM811 displays negligible O2and CO2emissions when charging to 4.5 V as well as a thinner CEI film, therefore delivering a large capacity of 225 mAh g−1at 0.1C in coin‐type half‐cells and a high retention of 88.3% after 1000 cycles at 1C in pouch‐type full‐cells within 2.7–4.5 V. The development of high‐voltage Ni‐rich cathodes exhibits a highly effective pathway to further increase their energy density.
Metallic 1T‐N‐WS2/WO3 Heterojunctions Featuring Interface‐Engineered Cu–S Configuration for Selective Electrochemical CO2 Reduction Reaction
Authors: Prasanna Murugesan , Logeshwaran Natarajan , Ramakrishnan Shanmugam , Yoo Dong Jin
Published: September 2023

Electrocatalytic carbon‐dioxide reduction reactions (ECO2RR) are one of the most rational techniques to control one's carbon footprint. The desired product formation depends on deliberate reaction kinetics and a choice of electron–proton contribution. Herein the usage of novel CuS active centers decorated over stable 1T metallic N‐WS2/WO3 nanohybrids as an efficient selective formate conversion electrocatalyst with regard to ECO2RR is reported. The preferred reaction pathway is identified as *OCHO, which is reduced (by gaining H+ + e−) to HCOO− (HCOO− path) as the primary product. More significantly, at −1.3 V versus RHE yield of FEHCOO− is 55.6% ± 0.5 with a Jgeo of −125.05 mA cm−2 for CuS@1T‐N‐WS2/WO3 nanohybrids. In addition, predominant catalytic activity, selectivity, and stability properties are observed; further post‐mortem analysis demonstrates the choice of material importance. The present work describes an impressive approach to develop highly active electrocatalysts for selective ECO2RR applications.
Self‐Encapsulable Carbon Electrode for Efficient and Stable Perovskite Solar Cells
Authors: Kim Jinhyun , Kim Jihyun , Park Injun , Park Byungwoo , Kim Hae Jin , Choi Dalsu
Published: September 2023

Since the perovskite solar cell (PSC) is emerging as a next‐generation photovoltaic, the counter electrode takes a significant role in the commercializing process. Not only the nature abundancy of carbon, but also the proper electronic property and flexibility allow the carbon electrode as a strong candidate for the future electrode. Herein, heat, moisture, and light‐resistive electrode‐based PSCs are fabricated via tailored elastomer and carbon materials. For device applicable perspective and to fabricate encapsulative electrode, carbon paper and paste obtaining elastomer‐based binder (polyisobutylene) are utilized together; both J–V performance up to 17% and long‐term stability are enhanced compared to the single‐paste system. To confirm the hydrophobicity with encapsulating ability, a direct water‐dipping test is conducted and negligible power conversion efficiency (PCE) loss is observed. Last but not least, the optimized device without extra encapsulation exhibits robust stability under harsh conditions retaining ≈80% of initial PCE for 750 h (60 °C and 1 sun), which paves the new concept of carbon electrode as an electrode itself and encapsulating material at the same time.
Faster range minimum queries
Authors: Kowalski Tomasz M. , Grabowski Szymon
Published: September 2023

Range minimum query is an important building brick of many compressed data structures and string matching algorithms. Although this problem is essentially solved in theory, with sophisticated data structures allowing for constant time queries, practical performance and construction time also matter. Additionally, there are offline scenarios in which the number of queries, ie, q, is rather small and given beforehand, which encourages to use a simpler approach. In this work, we present a simple data structure, with very fast construction, which allows to handle queries in constant time on average. This algorithm, however, requires access to the input data during queries (which is not the case of sophisticated range minimum query solutions). We subsequently refine our technique, combining it with one of the existing succinct solutions with O(1) worst‐case time queries and no access to the input array. The resulting hybrid is still a memory frugal data structure, spending usually up to about 3n bits and providing competitive query times, especially for wide ranges. We also show how to make our baseline data structure more compact. Experimental results demonstrate that the proposed block‐based sparse table (BbST) variants are competitive to existing solutions, also in the offline scenario.
Practice of Alibaba cloud on elastic resource provisioning for large‐scale microservices cluster
Authors: Xu Minxian , Yang Lei , Wang Yang , Gao Chengxi , Wen Linfeng , Xu Guoyao , Zhang Liping , Ye Kejiang , Xu Chengzhong
Published: September 2023

Cloud‐native architecture is becoming increasingly crucial for today's cloud computing environments due to the need for speed and flexibility in developing applications. It utilizes microservice technology to break down traditional monolithic applications into light‐weight and self‐contained microservice components. However, as microservices grow in scale and have dynamic inter‐dependencies, they also pose new challenges in resource provisioning that cannot be fully addressed by traditional resource scheduling approaches. The various microservices with different resource demands and latency requirements can create complex calling chains, making it difficult to provide fine‐grained and accurate resource allocation to each component while maintaining the overall quality of service in the chain. Alibaba Cloud has fully embraced cloud‐native and microservice technologies to drive its key business and scenarios, including Double 11 Shopping Festival. In this work, we aim to address the research problem on how to efficiently provision resources for the growing scale of microservice platform and ensure the performance of latency‐critical microservices. To address the problem, we present in‐depth analyses of Alibaba's microservice cluster and propose optimized resource provisioning algorithms to enhance resource utilization while ensuring the latency requirement. First, we analyze the distinct features of microservices in Alibaba's cluster compared to traditional applications. Then we present Alibaba's resource capacity provisioning workflow and framework to address challenges in resource provisioning for large‐scale and latency‐critical microservice clusters. Finally, we propose enhanced resource provisioning algorithms over Alibaba's current practice by making both proactive and reactive scheduling decisions based on different workloads patterns, which can improve resource usage by 10%–15% in Alibaba's clusters, while maintaining the necessary latency for microservices.
Formation Mechanism of High‐MnO‐Content SiO2/SiO2–MnO–(CaO–Al2O3) Dual‐Phase Inclusions in Si–Mn‐Killed Steel
Authors: Zhao Jiaqi , Wang Min , Cai Xiaofeng , Jiang Haitao , Ma Han , Bao Yanping
Published: September 2023

This study investigates the deformation characteristics of SiO2–MnO–(CaO–Al2O3)‐type inclusions in silicon manganese deoxidized steel from continuous casting to rolling. The results reveal that the inclusions contain 60–80% SiO2, 10–35% MnO, and a combined CaO and Al2O3 content of <20%. SiO2 precipitates inside the inclusions during the continuous casting and rolling processes, which results in the formation of pure SiO2/SiO2–MnO–(CaO–Al2O3) dual‐phase inclusions in the remaining components owing to the increase in the MnO content to 15–40%. According to the experimental results of melting rate measurement and thermodynamic calculation using FactSage8.1, the SiO2–MnO–(CaO–Al2O3) phase has a high proportion of liquid components at 1100–1360 °C and exhibits good deformation properties during the breaking down and rolling processes. When the total content of CaO, Al2O3, and MgO in the SiO2–CaO–Al2O3–MgO–MnO inclusions reaches 30–50%, SiO2 precipitation is inhibited during the continuous casting to rolling process. Through the addition of metal manganese and carbon powder during the pre‐deoxidation process, followed by alloying with ferrosilicon and metal manganese, and then the addition of acidic synthetic slag for slag formation, the proportion of SiO2/SiO2–MnO–(CaO–Al2O3) dual‐phase inclusions in the casting billet is increased from 12% to >60%.
Effect of Homogenization Treatment on Microstructure and Eutectic Precipitates in Ce‐Containing 15Cr–22Ni–1Nb Austenitic Heat‐Resistant Stainless Steel
Authors: Wang Zhongwei , Zhu Xin , Shi Chengbin , Li Jing , Ren Peng
Published: September 2023

The effects of homogenization temperature and time on microstructure and eutectic precipitates in Ce‐containing heat‐resistant stainless steel are studied. The increase in the homogenization temperature and time promotes the diffusion of alloying elements and the transition from dendrite structure to austenitic grain. Laves phase particles are fully dissolved after the homogenization of the ingots regardless of the cerium contents and homogenization temperature and time, except for the case of the homogenization at 1130 °C for 4 h. Honeycomb Laves phases gradually dissolve and become clusters of small blocky during homogenization treatment. The amount of eutectic NbC dissolved into the matrix is increased with the increase in the homogenization temperature and time. The solubility of niobium and carbon in austenite is increased with increasing the cerium content, which is beneficial to the dissolution of eutectic NbC. The distribution homogeneity of alloying elements in the austenitic matrix is increased with the increase in the cerium content. The homogenization temperature for reaching full diffusion of alloying elements into austenitic matrix is decreased with increasing the homogenization time. The decrease in the secondary dendrite arm spacing by cerium addition is favorable to the homogenization of alloying elements during homogenization treatment.
Adjustable MXene‐Based Materials in Metal‐Ion Batteries: Progress, Prospects, and Challenges
Authors: Zhang Yongshang , Lu Quanbing , Zhang Linsen , Zhang Lanxun , Shao Guosheng , Zhang Peng
Published: September 2023

Rechargeable metal‐ion batteries (MIBs) beyond lithium‐ion batteries based on Na, K, Mg, and Al metal electrodes which are earth‐abundant and low‐cost have been developed for large‐scale energy storage systems. MXenes, a type of transition metal carbides, nitrides, and carbonitrides, are discovered as electrodes for MIBs owing to their distinctive properties of large‐scale ultrathin conductive 2D structures, adjustable surface functional groups, regulable interlayer spacing, and high specific surface area. Herein, the properties of MXenes are summarized and the recent progress on MXene‐based materials for diversified MIBs (Li, Na, K, Mg, and Al‐ion batteries) is introduced. The main focus is on the synthesis and applications of MXene‐based materials in MIBs, and their roles in electrochemical reactions. Further examples are provided to demonstrate the significant function of MXene‐based composite as active materials, substrates, collectors, and precursors in different MIBs, highlighting the enormous potential of MXene‐based materials to construct advanced electrodes. This review expects to offer a deep understanding of the relationship between the electrochemical performance and the MXene‐based electrodes, which will promote more novel and creative breakthroughs in the MXenes‐based electrodes for MIBs.
A methodology for parameter estimation in system dynamics models using artificial intelligence
Authors: Gadewadikar Jyotirmay , Marshall Jeremy
Published: September 2023

Multiple tools exist for separately simulating and estimating the parameters of system dynamics models. Artificial intelligence (AI) has been increasingly used to estimate the parameters of system dynamics models. The development of modeling tools and advanced environments has resulted in great benefits to the community at large. The incorporation of AI tools into system dynamics presents opportunities for expanding on current decision‐making methods. As systems become complex, the need to incorporate evidence‐based data‐driven methods increases. By integrating system dynamics tools and facilitating AI and system dynamics simulation in an integrated environment, model parameters can be estimated with the latest data, and the integrity of the model can be retained effectively. This provides an advantage to the efficiency and capabilities of the system dynamics model and its analysis. This paper presents a general methodology to incorporate regression AI into system dynamics models for simulation and analysis. To demonstrate the validity of the methodology, a case study involving a susceptible‐infected‐recovered model and empirical data from the COVID‐19 pandemic is performed using support vector machines (SVMs), artificial neural networks (ANNs), and random forests.
Smart city maturity models: A multidimensional synthesized approach
Authors: Ghazinoory Sepehr , Roshandel Jinus , Parvin Fatemeh , Nasri Shohreh , Fatemi Mehdi
Published: September 2023

Smart cities are one of the consequences of digital transformation, and there have been many attempts to assess the smartness of cities with various frameworks. Among these frameworks, smart city maturity models (SCMMs) evaluate the existing conditions of cities and provide guidelines for progressing through the subsequent stages of maturity. However, most maturity models follow the instructions of the first model, published by the International Data Corporation, and there are many similarities across the models. These maturity models have advantages and disadvantages, while previous studies have not addressed the differences. Therefore, this article fills this knowledge gap by systematically reviewing the existing SCMMs. The findings suggest that some trending topics, such as resiliency concerning global pandemics and cultural aspects are neglected in SCMMs. Moreover, the validation techniques of the models are not rational. Finally, given the theoretical nature of most models, they cannot be applied to multiple regions.

This article is categorized under:

Fundamental Concepts of Data and Knowledge > Big Data Mining

Technologies > Artificial Intelligence

Technologies > Machine Learning
Exploring groundwater–climate change interactions: A critical review of Groundwater and Climate Change: Multi‐Level Law and Policy Perspectives by Philippe Cullet
Authors: Fatima Kulsum
Published: September 2023

In recent years, climate change has gained much attention worldwide, emphasizing the need to find sustainable solutions to protect the planet's resources. One of the primary resources affected by climate change is groundwater, a vital source of freshwater for agriculture and domestic use worldwide. In his book Groundwater and Climate Change: Multi‐Level Law and Policy Perspectives, Philippe Cullet discusses the complex relationship between groundwater and climate change and its legal and policy implications at various levels of interventions. Cullet's book provides comprehensive insights into the legal and governance frameworks needed to protect and sustainably manage groundwater in the face of climate change. This book review will examine the key arguments presented by Cullet, providing a critical analysis of the book's contribution to the field of environmental law and policy. It aims to provide a comprehensive analysis of the legal and policy framework related to groundwater management in the context of climate change with a special focus on interaction between climate change and groundwater lessons in Indian context.