bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of Acetylation on the Morphological, Physicochemical, and Thermal Properties of Enterolobium cyclocarpum Starch
Authors: Canto‐Pinto Jorge C. , Pérez‐Pacheco Emilio , Ríos‐Soberanis Carlos R. , Ortiz‐Fernández Alejandro , Estrada‐León Raciel J. , Moo‐Huchin Víctor M. , Pérez‐Padilla Yamile
Published: October 2024

This study investigates the impact of acetylation treatment on Enterolobium cyclocarpum (Parota) starch, focusing Morphological, Physico‐chemical and thermal impact induced by varying acetylation levels. The research employed scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA) to examine the structural and thermal alterations resulting from acetylation. These analyses also evaluated the starch's thermal stability. Through titration, the degree of substitution and acetyl group content were quantified, demonstrating significant morphological transformations in the starch, such as increased particle size and the appearance of surface cracks on the granules. The study revealed that the degree of substitution, which changes with the duration of acetylation, markedly influences the starch's physicochemical properties, including hydrophobicity and thermal stability. Initially, acetylation reduced the gelatinization temperature, suggesting a decrease in the energy required for gelatinization. Over longer acetylation periods, however, the gelatinization temperature increased, likely due to enhanced crystallinity or molecular reorganization. These findings indicate that acetylated Parota starch has potential applications in the food industry as an encapsulating agent and in the thermoplastics industry as a plasticizer, dependent on the level of acetylation. This research underscores the utility of specific chemical modifications to adapt starch properties for various industrial applications.
Novel Polyphenolic Hybrids Modulate Quorum Sensing Regulated Virulence in Pseudomonas aeruginosa
Authors: Dua Tamanna , Chadha Jatin , Goel Akshita , Mangal Surabhi , Mittal Nisha , Sharma Purshotam , Harjai Kusum , Singh Vasundhara
Published: October 2024

Naturally occurring substituted benzoic acids, known for their exceptional biological activity against Pseudomonas aeruginosa, were reacted with various aldehydes, aniline, and tert‐butyl isocyanide at 25 °C to give the desired hybrids with good to excellent yield in the range of 60–85 % and well characterized by 1H NMR, 13C NMR, HRMS, IR, and HPLC analysis. Molecular docking and simulation studies of compounds were conducted which predicted a high affinity towards quorum‐sensing (QS) receptors of P. aeruginosa. The polyphenolic hybrids were first screened for anti‐QS activity using the Agrobacterium tumefaciens NTL4 biosensor strain, followed by examining the antivirulence potential of selected hybrids against P. aeruginosa PAO1 in vitro. The highest degree of AHL (acyl homoserine lactone) inhibition in PAO1 was observed with the compound having a maximum number of phenolic groups. The hybrids in this investigation were also found to be non‐cytotoxic (biocompatible) towards HEK cells and may be further tested for their therapeutic efficacy against P. aeruginosa infections in vivo. It has been observed that the anti‐QS activity is directly proportional to the number of hydroxyl groups on the aromatic ring and one of the major contributing factors can be their chelating capacity as depicted by CAS shuttle assay.
Molecularly Imprinted Electrochemical Sensor Constructed by Ferrocene‐Functionalized Carbon Nanotubes for Rapid Recognition and Determination of Tryptophan
Authors: Li Qingtong , Sun Yu , Ma Shuang , Xu Hang , Duan Mengge , Zhang Chunjing , Zhen Qingfang , Pang Haijun
Published: October 2024

Molecular imprinting is an advanced technology in the fabrication of novel chemical sensors recently applied, enabling rapid responses and highly selective binding to specific molecules, thereby enabling efficient detection of material constituents. In this study, a new molecularly imprinted electrochemical sensor (MIES) utilizing ferrocene‐functionalized carbon‐nanotubes (Fc‐CNTs) was developed for the determination of tryptophan (Trp). The formation of molecularly imprinted polymer (MIP) involves polymerization in dimethyl sulfoxide (DMSO) using Trp, methacrylic acid (MAA) and ethylene glycol dimethacrylate (EGDMA) as the template molecules, functional monomers, and cross‐linking agents, respectively. Due to the modification of MIPs, the sensor achieves high performance. The sensor demonstrates a linear range from 1 to 45 μM and from 45 to 330 μM, with the limit of detection of 0.44 μM, exceeding that of the majority of sensors reported in the literature. Furthermore, the sensor can effectively detect Trp in real samples, including human serum and amino acid oral liquid. The recovery rate of Trp in human serum samples is 94.2 % to 105.30 %, and in amino acid oral liquid is 94.3 % to 101.68 %. This study provides a promising approach for the effective detection and analysis of tryptophan constituents.
Structural Modification of Ru‐Bi Catalysts and its Impact on One‐Pot Synthesis of 2,3,5‐trimethyl‐1,4‐benzoquinone with Hydrogen Peroxide
Authors: Lekgetho Tumisang , Mabena Letlhogonolo F. , Tukulula Matshawandile , Maphoru Mabuatsela V.
Published: October 2024

Oxidative transformation of phenols is an efficient route towards the production of moieties for naturally occurring quinones with a wide range of biological activities. Silica supported Ru−Bi catalysts were prepared by microwave‐assisted loading (MW) and deposition (DP) methods. The as‐prepared catalysts were characterized by XRD (X‐ray diffraction), N2 physisoption, SEM (Scanning electron microscopy), TEM (Transmission electron microscopy) and XPS (X‐ray photoelectron spectrometry) techniques. Catalysts with low Bi loading, 5 %Ru‐1 %Bi, have narrow particle size distributions that correspond to an average particle size of 2.21–2.59 nm. 5 %Ru‐5 %Bi catalysts consist of Ru−Bi nanochains. The outcome of the catalytic oxidation of 2,3,5‐trimethylhydroquinone (TMHQ, 1) to 2,3,5‐trimethyl‐1,4‐benzoquinone (TMBQ, 2) depends on the catalyst preparation method, promoter loading, solvent and temperature used. MW‐5Ru1Bi is the most active catalyst with conversions that range between 99–100 % at both room temperature (r.t) and under refluxing MeNO2 and MeOH. The highest yields of TMBQ (100 %) were obtained over MW‐5 %Ru‐1 %Bi and DP‐5 %Ru‐5 %Bi catalysts.
Green Synthesis of Poly (Vinyl Alcohol)‐Silver Nanoparticles Composite using Flaxseed (Linumusitatissimum L) Peel Extract: Its Cytotoxic and Antibacterial Activities
Authors: Mohan Kisku Kanta , Mandal Pinaki , Ghosh Samaresh , Sivakumar Gomathi , Babu Anashwara , Maji Samarendra , Pandey Anurag , Dhara Santanu
Published: October 2024

Green synthesis of silver nanoparticles (AgNPs) by using diverse plant extracts has gained significance for applications in biomedical sciences and engineering. However, no studies have been done on the synthesis of AgNPs using the extract of Flaxseed peel (FsP) (Linumusitatissimum L), an eco‐friendly agricultural waste. The present study reports the green synthesis of poly (vinyl alcohol) (PVA) ‐ silver nanoparticles (PVA‐AgNPs) composite 1 using the aqueous extract of Flaxseed peel (FsP) (Linumusitatissimum L). GC‐MS, 1H NMR and FT‐IR spectral analyses were performed to understand the phytochemical basis of nanoparticle formation. The obtained AgNPs in the composite were characterized using a variety of techniques including FT‐IR, UV‐visible spectroscopy, HR‐TEM along with EDX spectroscopy, SEM, and DLS. UV‐vis analysis revealed a prominent surface plasmon resonance band at 422 nm, confirming the formation of AgNPs. TEM technique revealed the presence of nearly spherical AgNPs with an average size of 11.28 nm. PVA‐AgNPs composite 1 exhibited antibacterial activity against Gram‐positive Staphylococcus aureus and Gram‐negative Escherichia coli. Furthermore, a dose‐time dependent cytotoxic effect against L929 fibroblast cells was demonstrated by the nanocomposite. Thus, present findings provided a basis of FsP‐extract mediated green synthesis of PVA‐AgNPs composite 1 suggesting functional nanomaterial of biomedical potentialities.
Fluorescent Scandium Microspheres for Highly Efficient White‐Light Photocatalysis
Authors: Chen Hua‐Ying , Lv Jian , Qian Ruo‐Can , Li Da‐Wei , Chen Bin‐Bin
Published: October 2024

Efficient photocatalysts play an important role in the various fields such as pollutant treatment and the generation of clean energy. Therefore, developing a photocatalyst with high activity is of great significance. Herein, scandium‐based fluorescent microspheres (Sc‐FMs) are facilely prepared through the one‐pot hydrothermal polymerization of scandium ions and tartaric acid. The prepared Sc‐FMs show strong blue solid‐state fluorescence, with a maximum emission at 412 nm. Meanwhile, Sc‐FMs possess a strong white‐light photocatalysis ability, which can be used for the photodegradation of dye pollutants (rhodamine 6 G) under low power white light without the assistance of any radical generating agents. In addition, the Sc‐FMs display good stability and recyclability. As a result, this new and efficient Sc‐FMs photocatalysts hold a promise for potential applications in environmental treatment.
Efficient Removal of Brilliant Cresyl Blue from Solution Using Inula Racemosa: Experimental Insights, DFT Modeling, and Docking Simulation
Authors: Amara‐Rekkab A.
Published: October 2024

This study examined the efficacy of Inula Racemosa leaves in the adsorption of Brilliant Cresyl Blue (BCB) from aqueous solutions. The study uses both experimental and theoretical research, including Density Functional Theory (DFT), to gain a better understanding of how the adsorbent and Brilliant Cresyl Blue molecules interact with each other. We determined the point zero value of the charged powder of Inula Racemosa and characterized the functional groups using FTIR spectroscopy. The experimental results indicate a significant ability of our adsorbent to adsorb the cationic dye Brilliant Cresyl Blue, and we have identified optimal conditions for its effective removal. The results suggest that the most effective amount of our biosorbent was 0.1 g. The equilibrium period for biosorption was 10 min, and the biosorbent capacity for biosorption improved with increasing pH. The Pseudo‐second‐order model accurately predicts the retention of Brilliant Cresyl Blue using Inula Racemosa. The Freundlich model was found to be better suitable for analyzing the isotherm data, revealing a maximum adsorption capacity of 3.49 mg g−1, achieving an efficiency removal of 89.95 %. We compared Density Functional Theory (DFT) calculations with experimental observations to validate the theoretical predictions and improve our understanding of the adsorption mechanism. Docking simulations show how the molecules of Inula Racemosa and Brilliant Cresyl Blue interact with each other, including the interactions of hydrogen bonds and electrostatic forces.
Microemulsion Templating Synthesis of Hierarchical Porous Ag‐Doped SiO2‐TiO2 Composites for Efficient Degradation of Noxious Methylene Blue Dye: Effect of Calcination Environment
Authors: Onwubiko Victor , Matsushita Yoshihisa , Elshehy Emad A. , E. El‐Khouly Mohamed
Published: October 2024

We report herein a dual function mesoporous structure of titanium oxide based porous carbon with large surface‐to‐volume ratios for efficient degradation of noxious methylene blue dye (MB) from an aqueous environment. The mesoporous photocatalysts is fabricated via direct template synthesis of highly ordered silica‐titania monolith doped with Ag0/Ag2O starting from a quaternary microemulsion liquid crystalline phase. The produced monoliths are subjected in‐situ to doping by growing silver, in the cubic cavities, and on the silica/titania structure's domain. This study investigated the efficiency of novel composite materials, consisting of silver‐doped silica‐titania (SiO2/TiO2), which is synthesized using the microemulsion templating approach. The photocatalytic performance of the synthesized composite in the photodegradation of MB has been studied. The procedure of photodegradation was employed to achieve decolorization of the cationic MB dye using visible light. The catalyst effectively achieved the decolorization of the dyed solution through the processes of adsorption and photodegradation. The composite consisting of SiO2, TiO2, and Ag2O at a ratio of 1 : 1:0.5, which underwent calcination in an air environment (AgOST), exhibited a removal efficiency of 99 % compared to its calcined state under argon (AgSTC).
Layered Perovskite La2Ti2O7 Nanostructures for Photocatalytic Degradation of Congo Red Dye Pollutant
Authors: Bhagwat Ujwala O. , Maridevaru Madappa C , Al Souwaileh Abdullah , Wu Jerry J. , Anandan Sambandam
Published: October 2024

In photocatalytic innovation, there has been a lot of interest in creating broad spectral responsive photocatalysts to get superior catalytic performance. In this study, we synthesized highly visible‐light responsive La2Ti2O7 perovskite photocatalysts by the probe ultrasonication procedure followed by high‐temperature calcination. Such materials are characterized using UV‐vis diffuse reflectance spectra, powder X‐ray diffraction, X‐ray photoelectron spectroscopy, and scanning electron microscopy to illustrate the optical absorption activities, crystalline properties, chemical composition, and microscopic features. La2Ti2O7 extends optical absorption towards the visible light spectrum and narrows the band gap. The photocatalytic efficacy of the resulting La2Ti2O7 nanostructures was investigated by performing photocatalytic degradation of persistent Congo red (CR) dye while subjected to visible photon illumination using three Osram 150 W tungsten halogen lamp ((λ≥400 nm), 5000 lm nominal luminous flux, 80,600 lx radiation intensity. With effective efficiency, the optimum degradation of the 10 ppm CR dye with a percentage of 95.9 was achieved after 90 min during exposure to the La2Ti2O7 perovskite with a catalyst dosage of 30 mg/100 mL at pH 6. Consequently, La2Ti2O7 nanostructures alone depicted 19.8 % adsorption efficiency for CR dye. In addition, OH⋅ and holes were important in degrading CR dye, which included many different reaction pathways. The treated solution can also demonstrate the environment's safety for accepting water. In summary, under natural visible light irradiation, the synthesized La2Ti2O7 showed enormous promise for eliminating different organic contaminants using photocatalytic methodology.
Detection of Layer Charge Density in Layered Double Hydroxides and Studies on Host‐Guest Interactions
Authors: Xiong Chengwei , Chen Xiang , Jin Lingling , Zhang Peng , Gao Li , Liu Bingxin , Lin Yanjun
Published: October 2024

The layer charge density of layered double hydroxides (LDHs) significantly affects interlayer spacing, the arrangement of interlayer anions and water molecules, thermal stability, as well as adsorption performance. However, traditional methods for evaluating the layer charge density of LDHs are complex, prone to large errors, and impacted by numerous factors, rendering these methods unable to facilitate direct comparisons of layer charge density across different LDH compositions. Consequently, this study proposes a novel approach based on the host‐guest supramolecular interactions in LDHs to investigate the layer charge density by analyzing changes in the position of the infrared absorption peaks of interlayer guest species. The shifts in infrared absorption peak positions are employed to assess the layer charge density of MgAl‐LDHs with varying molar ratios (M2+/M3+=2, 2.5, 3, 3.5, 4). The validity of using infrared peak position shifts is corroborated through a combination of techniques, including Raman spectroscopy, TG‐DTG, XRD, Zeta potential, and adsorption analyses. Furthermore, the layer charge density of NiAl, CoAl, MgFe, and NiFe‐LDHs are evaluated, confirming the universality of the infrared method. By ranking layer charge density of LDHs with different compositions and ratios, this study resolves the challenge of comparing LDHs with diverse layer compositions.
Nanoplatforms for Magnetic‐Photo‐Heating of Thermo‐Resistant Tumor Cells: Singular Synergic Therapeutic Effects at Mild Temperature
Authors: Mai Binh T. , Fernandez‐Cabada Tamara , Conteh John S. , Nucci Giulia E.P. , Fiorito Sergio , Gavilán Helena , Debellis Doriana , Gjurgjaj Lorenci , Pellegrino Teresa
Published: October 2024

A self‐assemble amphiphilic diblock copolymer that can incorporate iron oxide nanocubes (IONCs) in chain‐like assemblies as heat mediators for magnetic hyperthermia (MHT) and tuneable amounts of IR780 dye as agent for photothermal therapy (PTT) is developed. MHT‐heating performance of photobeads in viscous media have the same heat performances in water at magnetic field conditions of clinical use. Thanks to IR780, the photobeads are activated by infrared laser light within the first biological window (808 nm) with a significant enhancement of photo‐stability of IR780 enabling the raise of the temperature at therapeutic values during multiple PTT cycles and showing unchanged optical features up to 8 days. Moreover, the photobeads fluorescent signal is preserved once internalized by glioblastoma multiforme (GBM) cells. Peculiarly, the photobeads are used as toxic agents to eradicate thermo‐resistant GBM cells at mild heat, as low as 41 °C, with MHT and PTT both of clinical use. Indeed, a high U87 GBM cell mortality percentage is obtained only with dual MHT/PTT while each single treatment dose not provide the same cytotoxic effects. Only for the combined treatment, the cell death mechanism is assigned to clear sign of apoptosis as observed by structural/morphological cell studies and enhanced lysosome permeability.
Boosting Photoluminescence of Rare‐Earth‐Based Double Perovskites by Isoelectronic Doping of ns2 Metal Ions
Authors: Yao Jiandong , Wang Haiyan , Wu Jie , Zou Bingsuo , Zeng Ruosheng
Published: October 2024

Doping of ns2 metal ions as an energy transfer (ET) bridge can significantly elevate the photoluminescence properties. Nonetheless, the fundamental influence of ns2 metal ions on the local lattice structures remains unclear, hindering the advancement of functional materials. Herein, Sb3+ doped rare earth double perovskites is employed as a typical case to demonstrate this issue. It is found that the isoelectronic doping of Sb3+ ions not only enhances the ET efficiency but also changes their localized electronic and lattice structures. Both density functional theory (DFT) and Judd–Ofelt (J–O) theory calculations provide unambiguous evidence that the isoelectronic doping of Sb3+ ions enables a more localized charge density in the [LnCl6]3− (Ln: Lanthanide) octahedron and reduces the symmetry of the environment around the Ln3+, facilitating the radiative transition rates of Ln3+ while enhancing their ET efficiency. Compared with Cs2NaScCl6:Ln3+, the ET efficiency of Cs2NaScCl6:Sb3+/Ln3+ is enhanced by 1.5‐fold, reaching up to 98.3%. To the best of available knowledge, this work is the first to unravel the intrinsic mechanism of enhanced ET process enabled by isoelectronic doping via DFT and J–O theory. This research sheds light on understanding the mechanism of photophysics and rational design of the functional perovskite materials.
Rational Design of Ultrahigh‐Loading Ir Single Atoms on Reconstructed Mn─NiOOH for Enhanced Catalytic Performance in Urea‐Water Electrolysis
Authors: Ngo Quynh Phuong , Prabhakaran Sampath , Kim Do Hwan , Kim Byoung‐Suhk
Published: October 2024

Investigating advanced electrocatalysts is crucial for improving the efficacy of water splitting to generate environmentally friendly fuel. The discovery of highly effective electrocatalysts, capable of driving oxygen evolution reaction (OER) and urea oxidation reaction (UOR) in urea‐alkaline environments, is pivotal for advancing large‐scale hydrogen production. This study aims to introduce a new method that involves creating nanosheets of high‐loading iridium single atoms embedded in a manganese‐containing nickel oxyhydroxide matrix (Ir@Mn─NiOOH). These nanostructures are derived from self‐supported hydrate pre‐catalyst nanosheets grown on nickel foam and then activated through electrochemical etching pretreatment. The Ir@Mn─NiOOH nanoarchitecture displays outstanding electrocatalytic activity, having a low overpotential of just 258 mV and a potential of 1.319 V (at 10 mA cm−2) for OER and UOR, respectively. Such extraordinary catalytic characteristics of Ir@Mn─NiOOH is mainly owing to the strong synthetic electronic interaction between Ir single atoms and Mn─NiOOH, which can change its electronic characteristics and boost electrochemical catalytic sites. This research presents a new way to produce exceptionally efficient catalysts by adding a synergistic effect to complex multi‐electron processes.
SbO(OH)2(IO3): The First Polar Sb5+‐Iodate with a Strong Second‐Harmonic Generation Response and a Wide Bandgap
Authors: Ji Meng‐Ya , Li Yi‐Lin , Hu Chun‐Li , Chen Jin , Li Bing‐Xuan , Mao Jiang‐Gao
Published: October 2024

Widening the bandgaps while maintaining a strong second harmonic generation response has always been a research hotspot in the field of nonlinear optical iodate materials. A strategy involving covalent bonding is proposed that leverages the high valent later main group cation to construct iodates with predominantly covalent interactions. By using BiO(IO3) as a template, the first Sb5+‐containing polar iodate, SbO(OH)2(IO3) is successfully isolated. The introduction of the two hydroxide anions led to the reduction of layered BiO(IO3) into 1D SbO(OH)2(IO3) in which two corner‐sharing SbO4(OH)2 octahedra are further bridged by an iodate group. The covalently bonded [SbO(OH)2]+ chains and the optimal packing fashion of the asymmetric IO3− groups generate a very strong second harmonic generation signal of 14 times that of KH2PO4. Furthermore, SbO(OH)2(IO3) exhibits a wide bandgap of 4.14 eV and a high laser induced damage threshold [27.9 × AgGaS2, 0.2 × KH2PO4 (10 ns, 10 Hz)].
Chemical Bath Deposition of NiFe Alloy Anode for Efficient Alkaline Water Electrolyzer Integration
Authors: Wu Jingwen , Ren Zhibo , Xu Xindi , Mok Dong Hyeon , Guo Weiqi , Ye Ke , Shen Peng , Zhang Weiyi , Ni Baoxin , Wan Shusheng , Yu Gwonho , Cai Wen‐Bin , Back Seoin , Wang Jinyi , Jiang Kun
Published: October 2024

Green hydrogen production from water splitting is a feasible way for intermittent renewable energy storage and utilization, where the exploration and scale‐up preparation of high‐performance anodic oxygen evolution electrocatalysts are critical prerequisites for its industrial‐level applications. Herein, a chemical bath deposition of FeNi3 intermetallic alloys onto Ni mesh support is performed, which delivers a current density of 0.62 A cm−2 at 1.72 V versus reversible hydrogen electrode for alkaline water oxidation in 1 m KOH and an excellent electrolysis stability at 0.2 A cm−2 for over 300 h. Moreover, via 3D computational fluid dynamics simulation and flow field optimization, a homogeneous deposition of ≈5400 cm2 NiFe anode is demonstrated within 4 min using the developed flow bath reactor. Once integrating the as‐prepared NiFe anodes into alkaline electrolyzer stack, the voltage variation between each unit cell is below 40 mV at a total operation current of 71 A, or ca. current density of 0.2 A cm−2, confirming the uniformity of this batch synthesis protocol and its great potential for industrial alkaline water electrolysis.
Fully Stretchable Microbial Fuel Cell with 75% Stretchability
Authors: Peng Shizhe , Li Jia , Hu Yihan , Cao Jinwei , Zhou Ming , Lu Lu , Su Yude
Published: October 2024

A decent stretchability is of paramount significance to operate microbial fuel cell (MFC) under mechanically dynamic conditions. However, it remains a grand challenge to fabricate fully stretchable MFC without compromising its power output. Here, using Shewanella oneidensis MR‐1 (S. oneidensis) as the model electrogenic bacteria, the study demonstrates a fully stretchable MFC device that can operate with a stretchability of 75%. The design takes advantage of a stretchable and ion‐conductive polyurethane membrane, which encapsulates the biohybrids composed of S. oneidensis and reduced graphene oxide (rGO) on the polydimethylsiloxane (PDMS) current collector for synchronous stretching. It is discovered that the “stretchable” living biohybrids can sustain an adaptive bio‐current output under stretching/releasing stimulation. The design also employs a stretchable air cathode. The stabilized peak power density of the stretchable MFC follows an increasing trend with the applied strain, and reaches 5.0 ± 0.7, 5.9 ± 0.9, 6.2 ± 1.1, 6.6 ± 1.4 µW cm−2 at strains of 0%, 25%, 50%, and 75%, respectively (n = 3). At 75% strain, the stretchable MFC yields a maximum current output of 104 ± 27 µA cm−2 and an open‐circuit voltage of 283 ± 30 mV (n = 3). The results provide insights to design stretchable MFCs to power the next‐generation on‐skin devices, soft robotics, and sustainable electronics.
Bioinspired Photothermal Metal‐Organic Framework Cocrystal with Ultra‐Fast Water Transporting Channels for Solar‐Driven Interfacial Water Evaporation
Authors: Wang Xu , Zhao Chong , Yang Mingyu , Baek Jae‐Hoon , Meng Zheng , Sun Bin , Yuan Aihua , Baek Jong‐Beom , He Xiao , Jiang Yi , Zhu Meifang
Published: October 2024

Herein, a bioinspired metal‐organic framework (MOF) cocrystal produced from the co‐assembly of a MOF [Ni3(hexaiminobenzene)2, Ni3(HIB)2] and p‐chloranils (CHLs) is reported. Because of the 2D conjugation nature and the formation of persistent anion radicals, this cocrystal shows an excellent photothermal property, and is further used as an absorber in solar‐driven interfacial water evaporation. The solar‐driven interfacial water evaporation rate (4.04 kg m−2 h−1) is among the best compared with those of previously reported photothermal materials. Molecular dynamics simulation results suggested that the rotating of the CHL molecules relative to the MOF planes tuned the pore size to enable the ultra‐fast water transporting, and thus ultra‐high water transporting rates (1.11 × 1011 and 3.21 × 1011 H2O s−1 channel−1 at 298.2 and 323.0 K, respectively) for layered cocrystal structures, that are much higher than that of aquaporins (≈1.1 × 1010 H2O s−1 channel−1 at 298.2 K), are observed. The superior solar‐driven water evaporation performance is thus attributed to the synergistic effect of the ultra‐fast water transporting pores together with the excellent photothermal property of the cocrystal. This research provided a biomimetic strategy of rational design and production of charge transfer cocrystals to modulate their pores and photothermal properties for solar‐driven interfacial water evaporation.
Modeling Freeze‐Lining Formation: A Case Study in the Slag Fuming Process
Authors: Gomes Rodrigues Christian M. , Wu Menghuai , Chintinne Mathias , Ishmurzin Anton , Hackl Gernot , Lind Clemens , Kharicha Abdellah
Published: October 2024

Slag fuming (SF) is a metallurgical process designed to recycle Zn‐containing slags derived from various industrial residues. To protect the reactor from corrosive molten slag, a deliberate as‐solidified slag layer, known as a freeze lining (FL), is formed on the reactor walls using intense water‐cooled jackets. In this article, a computational‐fluid‐dynamics‐based model capable of simulating FL formation in a SF furnace is presented. To capture the complex multiphase flow dynamics, heat transfer, and FL formation during SF, a volume‐of‐fluid model is coupled with a mixture continuum solidification model. Three phases are considered: gas, liquid bulk slag, and solid slag (FL). Moreover, two types of FL are distinguished: one that solidifies on the reactor wall in the bulk slag region and another that solidifies on the reactor wall in the freeboard region owing to slag splashing. Comparisons between calculated FL thickness and heat fluxes and corresponding industrial data demonstrate satisfactory agreement. In this outcome, the robustness of the model is underscored and confidence in its accuracy is instilled. In the simulation results, valuable insights are provided into the evolution of the fuming process, particularly regarding the slag bath temperature, slag splashing dynamics, FL formation, local heat fluxes through the reactor wall, and global net energy balance.
The uniqueness and importance of small institutions in America
Authors: Johnson R. Bradley , McGhee James , Robertson Jason
Published: October 2024

The authors examine the unique and important role of small institutions in the landscape of higher education in the United States. Through an examination of student success, community engagement, and sense of belonging, the authors aim to provide a better understanding of the evolving dynamics in small institutions and the need for bold institutional leaders to retain institutional distinctiveness while innovating and redesigning the student experience for the 21st century.
Small institutions with special missions through the lens of women's colleges
Authors: Butera Rae‐Anne
Published: October 2024

The universe of small institutions includes “special mission” institutions. Although these institutions share several similarities, each plays a special and distinct role in higher education, providing a unique culture and experience for their students. They include women's colleges, Historically Black colleges and universities (HBCUs), Hispanic‐serving institutions (HSIs), Tribal colleges and universities (TCUs), faith‐based institutions, and military colleges, among others. Through the lens of women's colleges, the author will highlight these institutions and their important role in higher education.
Exploring student engagement and sense of belonging at small institutions post COVID‐19 pandemic
Authors: Lopez Samantha N.
Published: October 2024

This article explores the dynamics of student engagement in small institutions, emphasizing their unique community‐centered approach. Particularly in the post‐pandemic era, where personalized support systems have become crucial, small institutions are reevaluating their strategies to enhance student empowerment and connection. Key aspects examined include tailored academic advising, mental health services, and career guidance, all pivotal in fostering holistic student development. The article explores critical factors influencing engagement, such as institutional support, campus culture, and the integration of technological advancements, highlighting how these elements contribute to a vibrant learning environment in small institutions.
Gingival mesenchymal stem cells derived from patients with rheumatoid arthritis treat experimental arthritis
Authors: Hou Yuluan , Zhang Ximei , Zeng Donglan , Zhu Shangling , Luo Yang , Dang Junlong , Wu Wenbin , Xiong Yiding , Zhao Jun , Huang Jianlin , Yuan Jia , Wang Shuhong , Wang Julie , Xu Hanshi , Zhang Wei , Ai Hong , Chen Zheng , Zheng Song Guo
Published: October 2024

A therapeutic strategy using mesenchymal stem cells (MSCs) has been accepted as a novel therapy for treating rheumatoid arthritis (RA). Human gingiva‐derived MSCs (GMSCs) are superior in regulating immune responses. Autologous MSCs are the optimal candidate to avoid the potential risks of allogenic MSCs. However, whether autologous GMSCs from RA patients are therapeutic remains unknown. In this study, we compared the therapeutic efficacy of GMSCs derived from patients with RA (RA‐GMSCs) and that from health donors (H‐GMSCs) in vivo and in vitro. Then, we utilized RNA‐sequencing, the molecular and cellular assays to determine the immunomodulatory molecules that contribute to the therapeutic effect of RA‐GMSCs on both collagen‐induced arthritis (CIA) and humanized synovitis models. We demonstrated that GMSCs derived from patients with RA (RA‐GMSCs) and health donors (H‐GMSCs) shared a similar expression of immunomodulatory molecules. Moreover, RA‐GMSCs were as effective as H‐GMSCs in suppressing T‐cell proliferation, proinflammatory cytokines secretion, as well as osteoclast differentiation in vitro. In addition, RA‐GMSCs had a robust therapeutic effect on the CIA model. Importantly, RA GMSCs can survive for at least 24 days in a CIA mouse model and can be distributed in the spleen, lymph nodes, and joints. Specifically, RA‐GMSCs decreased the frequency of Th1 and Th17 cells whereas enhanced Treg cells, reducing the joint histopathological scores of lymphocytes, osteoclasts, and cartilages. Moreover, RA‐GMSCs were also effective in suppressing inflamed synoviocyte proliferation, migration, and invasion in vitro, and cartilage invasion in a humanized synovitis model in vivo. Our study implies that manipulation of RA‐GMSCs is therapeutic in CIA mice and humanized synovitis models and may have therapeutic potential in RA patients using autologous GMSCs in the future.
The Role of Labor Markets in Determining the Efficacy and Distributional Impact of Sustainability Policies
Authors: Ray Srabashi , Haqiqi Iman , Hill Alexandra E. , Taylor J. Edward , Hertel Thomas W.
Published: October 2024

Local labor market outcomes are often overlooked in integrated assessment models. Yet labor markets have become increasingly relevant in recent decades as evidence of diminished labor mobility has emerged in the United States and other developed countries. We use the SIMPLE-G modeling framework to investigate the impacts of a global commodity price shock and a local sustainable groundwater use policy in the United States. We compare the impacts of each of these shocks under two contrasting assumptions: perfect mobility of agricultural labor and relatively inelastic labor mobility. We supplement the numerical simulations with analytical results from a stylized two-input model to provide further insights into the impacts of local and global shocks on agricultural labor, crop production, and resource use. In the perfect labor mobility scenario, the impact of a commodity price boom is overestimated relative to the restricted labor mobility case. In the case of groundwater sustainability policy, the perfect labor mobility scenario overestimates the reduction in crop production and employment in directly targeted grids as well as overestimates the spillover effects that increase employment in other grids. For both shocks, impacts on agricultural wages are completely overlooked if we ignore rigidities in agricultural labor markets.
The Role of Transportation Infrastructure Expansion in the Transmission of Global Crop Price Shocks to the Brazilian Agriculture
Authors: Wang Zhan
Published: October 2024

In this chapter, we discuss how crop production, land use, and carbon emissions in Brazil are influenced by the interaction of a global crop price shock with domestic transportation infrastructure investments. The grid-resolving feature of SIMPLE-G-Brazil provides a framework for simulating impacts from multiscale shocks and capturing the spatial heterogeneity and spillover effects of results within the country. First, we illustrate this research question with a simplified two-region economic framework, which provides qualitative implications of the interactive effects to be checked with SIMPLE-G-Brazil. Then, we introduce the model structure and data sources used in SIMPLE-G-Brazil and focus on the two new modules—a transportation cost module and a novel cropland supply module—that differentiate SIMPLE-G-Brazil from the basic SIMPLE-G framework. Simulation results indicate that farm-gate crop prices increase in response to an increase in global crop prices, boosting cropland and crop output. However, the rise in farm-gate crop prices hinges on the transportation cost from the farm to the port. Public investment in transport infrastructure reduces these costs, particularly for more remote locations. This reconfiguration of production has important implications for the environment.
Future Directions: Policy Implications, Model Extensions, and Institutional Innovation
Authors: Haqiqi Iman , Hertel Thomas W. , Wang Zhan , Baldos Uris Lantz C. , Cisneros-Pineda Alfredo , Liu Jing
Published: October 2024

This chapter lays out some future opportunities for the SIMPLE-G community. We envision a global community of researchers collaborating on data, modeling, and policy applications at the local, national, and global levels. The SIMPLE-G framework can be linked to gridded models from other disciplines, including agronomy, climate science, hydrology, ecology, and geography. By developing versions that allow for bilateral trade, multiple crops, and linkages to the rest of the economy, SIMPLE-G will also become relevant to a wider range of policy questions. We invite users to engage with the SIMPLE-G community and help advance this research to support efforts aimed at ensuring long-run land and water sustainability for the planet.
Leptogenesis in SO(10) with minimal Yukawa sector
Authors: Babu K. S. , Di Bari Pasquale , Fong Chee Sheng , Saad Shaikh
Published: October 2024

Abstract

In prior studies, a very minimal Yukawa sector within the SO(10) Grand Unified Theory framework has been identified, comprising of Higgs fields belonging to a real 10H, a real 120H, and a $$ {\overline{126}}_H $$

126
¯

H

dimensional representations. In this work, within this minimal framework, we have obtained fits to fermion masses and mixings while successfully reproducing the cosmological baryon asymmetry via leptogenesis. The right-handed neutrino (Ni) mass spectrum obtained from the fit is strongly hierarchical, suggesting that B − L asymmetry is dominantly produced from N2 dynamics while N1 is responsible for erasing the excess asymmetry. With this rather constrained Yukawa sector, fits are obtained both for normal and inverted ordered neutrino mass spectra, consistent with leptonic CP-violating phase δCP indicated by global fits of neutrino oscillation data, while also satisfying the current limits from neutrinoless double beta decay experiments. In particular, the leptonic CP-violating phase has a preference to be in the range δCP ≃ (230 – 300)°. We also show the consistency of the framework with gauge coupling unification and proton lifetime limits.
Eikonal amplitudes on the celestial sphere
Authors: Adamo Tim , Bu Wei , Tourkine Piotr , Zhu Bin
Published: October 2024

Abstract

Celestial scattering amplitudes for massless particles are Mellin transforms of momentum-space scattering amplitudes with respect to the energies of the external particles, and behave as conformal correlators on the celestial sphere. However, there are few explicit cases of well-defined celestial amplitudes, particularly for gravitational theories: the mixing between low- and high-energy scales induced by the Mellin transform generically yields divergent integrals. In this paper, we argue that the most natural object to consider is the gravitational amplitude dressed by an oscillating phase arising from semi-classical effects known as eikonal exponentiation. This leads to gravitational celestial amplitudes which are analytic, apart from a set of poles at integer negative conformal dimensions, whose degree and residues we characterize. We also study the large conformal dimension limits, and provide an asymptotic series representation for these celestial eikonal amplitudes. Our investigation covers two different frameworks, related by eikonal exponentiation: 2 → 2 scattering of scalars in flat spacetime and 1 → 1 scattering of a probe scalar particle in a curved, stationary spacetime. These provide data which any putative celestial dual for Minkowski, shockwave or black hole spacetimes must reproduce. We also derive dispersion and monodromy relations for these celestial amplitudes and discuss Carrollian eikonal-probe amplitudes in curved spacetimes.
Facial and dental arch shape in individuals with different bite force levels
Authors: Nocera Quezada Ana , Muñoz María Jesús , Schulz-Kornas Ellen , Bemmann Maximilian , Kupczik Kornelius , Schierz Oliver , Toro-Ibacache Viviana
Published: October 2024

Purpose

This pilot study aimed to assess the relationship between bite force variation and dental arch and facial shape using geometric morphometrics, an advanced method of statistical analysis that provides a detailed shape analysis of a structure considering the spatial relationship of its parts.

Methods

The sample consisted of 16 German adult men and women. For each individual, maximum bite force was recorded in four positions: maximum intercuspation, protrusion, laterotrusion to the right and to the left. Facial and three-dimensional (3D) dental reconstructions were obtained from 3D facial photographs and 3D scans of dental stone models. A total of 51 landmarks were placed. General shape variation was assessed by principal component analysis. Partial least squares analyses were performed to evaluate the covariation between bite force, facial shape, and dental shape.

Results

There was no clear pattern or statistically significant covariation between our variables.

Conclusions

Our results suggest a weak relationship between bite force, dental arch, and facial shape. Considering previous work in this field, we propose that low masticatory loads, characteristic in Western urban populations, may explain this. Further studies should, therefore, address this issue, taking into account effect size, the mechanical properties of the diet, and other relevant variables.
Can large language models apply the law?
Authors: Marcos Henrique
Published: October 2024

This paper asks whether large language models (LLMs) can apply the law. It does not question whether LLMs should apply the law. Instead, it distinguishes between two interpretations of the ‘can’ question. One, can LLMs apply the law like ordinary individuals? Two, can LLMs apply the law in the same manner as judges? The study examines D’Almeida’s theory of law application, divided into inferential and pragmatic law application. It argues that his account of pragmatic law application can be improved as it does not fully consider that law application (and rule-following) is a shared, public practice collectively realized by members of a linguistic community. The study concludes that LLMs cannot apply the law. They cannot apply the law in the inferential sense as they have mere syntactic (not semantic) interaction with the law. They cannot apply the law in the pragmatic sense as pragmatic law application does not depend on a single agent, whether that agent is a judge, an ordinary citizen, or a non-human entity.
Mini-open versus percutaneous surgical repair for acute Achilles tendon rupture: a systematic review and meta-analysis
Authors: Melinte Marian Andrei , Nistor Dan Viorel , de Souza Conde Rodrigo Arruda , Hernández Ricardo González , Wijaya Prajna , Marvin Kabuye , Moldovan Alexia Nicola , Melinte Razvan Marian
Published: October 2024

Purpose

To compare the clinical outcomes and complications of mini-open (MOT) and percutaneous techniques (PT) in the surgical repair of acute Achilles tendon rupture (AATR).

Methods

We systematically searched PubMed, Scopus, Web of Science, Clinical Trials, and the Cochrane Library for studies comparing MOT with PT for AATR. We assessed functional outcomes, complication rates, and operation time. Statistical analyses were performed using RevMan Web. Odds ratios (ORs) and mean difference (MD) with 95% confidence intervals (CIs) were pooled with a fixed-effects model for dichotomous and continuous endpoints, respectively. Heterogeneity was evaluated with I2 statistics.

Results

Eight studies, comprising 484 patients, were included, of whom 226 (46%) underwent MOT. MOT was associated with a significantly lower re-rupture rate (1.48% vs. 6.11%; OR 0.28; 95% CI 0.09–0.86; p = 0.03; I2 = 6%) and sural nerve injury rate (0.57% vs. 5.64%; OR 0.24; 95% CI 0.07–0.81; p = 0.02; I2 = 0%). No significant differences were observed in venous thrombosis (OR 0.81; 95% CI 0.17–3.94; p = 0.33; I2 = 0%), wound infection (OR 0.56; 95% CI 0.12–2.62; p = 0.46; I2 = 0%), or operation time (MD 1.83 min; 95% CI -1.13–4.79; p = 0.23; I2 = 88%). Functional outcomes showed higher American Orthopaedic Foot and Ankle Society (AOFAS) Ankle-Hindfoot scores in the MOT group (MD 1.52 points; 95% CI 0.62–2.42; p = 0.001; I2 = 3%), while (Achilles Tendon Total Rupture Score) ATRS, time to return to activities, and ankle plantar and dorsiflexion were comparable.

Conclusions

MOT for AATR repair seems to reduce re-ruptures and sural nerve injuries while improving AOFAS scores, with no significant differences in other complications compared to PT. These findings suggest that the MOT may offer a safer and equally effective alternative to PT for AATR.
Impact of obesity on pathological complete remission in early stage breast cancer patients after neoadjuvant chemotherapy: a retrospective study from a German University breast center
Authors: Englisch Johannes Felix , Englisch Alexander , Dannehl Dominik , Eissler Kenneth , Tegeler Christian Martin , Matovina Sabine , Volmer Léa Louise , Wallwiener Diethelm , Brucker Sara Y. , Hartkopf Andreas , Engler Tobias
Published: October 2024

Purpose

Breast cancer is a primary cause of cancer-related death among women worldwide. Neoadjuvant chemotherapy (NACT) is a cornerstone treatment for locally advanced, non-metastatic breast cancer. Achieving pathological complete response (pCR) is often used as a surrogate marker for long-term outcomes. This study examines the impact of obesity, defined by a body mass index (BMI) over 30 kg/m2, on achieving pCR in patients with early stage breast cancer (eBC) undergoing NACT.

Methods

A retrospective analysis was conducted on patients with eBC treated with NACT at the University of Tübingen. The primary objective was to assess the impact of obesity on achieving pCR. Logistic regression analysis was used to determine the association between pre-treatment BMI and pCR, adjusting for covariates such as age, tumor stage, grading, and chemotherapy intensity.

Results

The study included 325 patients, with 24% classified as obese. While the univariate logistic regression analysis showed no significant impact of obesity on the odds ratio of achieving pCR, the multivariate analysis, accounting for covariates, demonstrated that obese patients had a significantly higher likelihood of achieving pCR.

Conclusion

In this retrospective study, obesity significantly affected the likelihood of achieving pCR in patients with eBC cancer undergoing NACT after adjusting for covariates. While obesity is a known risk factor for breast cancer development and progression, its impact on the efficacy of NACT in terms of achieving pCR was positive in our study. These findings contribute to the ongoing debate in the literature, though the retrospective design and potential uncontrolled factors should be considered.