bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamic Transition Metal Network via Orbital Population Design Stabilizes Lattice Oxygen Redox in Stoichiometric Layered Cathodes
Authors: Gao Ang , Li Xinyan , Zhang Qinghua , Lin Ting , Wang Yichi , Chen Yujie , Lin Weiguang , Wang Shiyu , Ji Pengxiang , Luo Zhu , Wang Jinlong , Guo Yanbing , Gu Lin
Published: November 2024

Li‐ion batteries employing stoichiometric layered Li metal oxides as cathodes are now reaching the energy density limits due to single cationic redox chemistry. Lattice oxygen redox (LOR) has been discovered in these materials, as a high‐energy‐density paradigm observed in Li‐rich materials. Nevertheless, the origin of this process is not understood, preventing the rational design of better cathode materials. Here, employing stoichiometric Ni‐based cathodes, it is demonstrated that LOR originates from a dynamic transition metal (TM) network caused by ion migration during the electrochemical process. This network is confirmed to be ribbon through both ex‐ and in‐situ STEM observations, facilitating reversible LOR. Finally, a t2g orbital population rule is proposed to guide the design of ordered TM networks, supported by calculated structures and the synthesized ordered TM oxides reported. This work explains the mechanism of LOR in stoichiometric layered cathode materials, and sets a promising direction for the design of high‐energy‐density cathodes through the regulation of TM ordering.
Additive‐Driven Enhancement of Crystallization: Strategies and Prospects for Boosting Photoluminescence Quantum Yields in Halide Perovskite Films for Light‐Emitting Diodes
Authors: Wang Shiheng , Sun Xianglong , Shi Jiantao , Zhao Rudai , Zhang Baowei , Lu Siyu , Li Pengwei , Li Fengyu , Manna Liberato , Zhang Yiqiang , Song Yanlin
Published: November 2024

Halide perovskite light‐emitting diodes (PeLEDs) hold great potential for applications in displays and lighting. To enhance the external quantum efficiency (EQE) of PeLEDs, it is crucial to boost the photoluminescence quantum yield (PLQY) of the perovskite films. The use of additives has emerged as a powerful chemical strategy to control the crystallization process in solution‐processed perovskite films. The different types of additives that can be used reflect the various types of chemical interactions with the perovskite materials, influencing their crystallization process in various possible ways. Understanding the relationship between these chemical interactions and their impact on the crystallization process is a key step for designing emitters with improved PLQY and devices with superior EQE. Following the logic chain of additive–perovskite interactions, impacts on crystallization, and subsequent enhancement of PLQY and EQE, this review discusses how additives play a pivotal role in influencing the crystallization process to enhance the PLQY of the perovskite films. Furthermore, this assessment addresses the open challenges and outlines future prospects for the development of PeLEDs.
pH‐Tunable 3D Interconnected Network of Multiwalled Carbon Nanotubes /Polyacrylic Acid Hydrogel with Excellent Electromagnetic Radiation Shielding Capability
Authors: Thi Quyen Vu , Ryu Jungju , Hong Junpyo , Koo Chong Min , Enyi Ye , Sohn Daewon , Truong Vinh Xuan
Published: November 2024

The fabrication of durable and high anticorrosion hydrogel composite materials composed of multi‐walled carbon nanotubes (MCNTs) and crosslinked polyacrylic acid (PAA) for EMI shielding application is reported. The MCNTs contribute to the generation of 3D porous structures and enhance the mechanical properties of composite hydrogel. The 3D porous structure and high electrical conductivity inherited from ultrahigh electrically conductive MCNTs enable excellent EMI shielding properties with a total shielding efficiency EMI SE (SET) value of 32.8 dB (>99.9%) at only 3 wt% filler content of MCNTs. The MCNTs/PAA hydrogels also display superior EMI shielding performance under a strong acidic environment with SET > 99.99% while the 3D porous structure remained intact. The combination of electron–ion system in pH solution enriches the charge transfer and accumulation, enabling dipole orientation and polarization that are favorable for enhancing EMI attenuation. Moreover, the porous structure of MCNTs/PAA also contributes to partial trapping and dissipation of EM radiation energy via multiple scattering phenomena. This work thus paves the way toward applications of 3D hierarchical network materials for EMI shielding applications in both land and aqueous environments.
Improved Verilog‐A Based Artificial Neural Network Modeling Applied to GaN HEMTs
Authors: Jarndal Anwar , Ansari Md Hasnain , Dautov Kassen , Almajali Eqab , Chauhan Yogesh Singh , Majzoub Sohaib , Mahmoud Soliman A. , Bonny Talal
Published: November 2024

This study presents a novel approach to implementing an artificial neural network (ANN) model for simulating high electron mobility transistors (HEMTs) in Keysight ADS through integrating Verilog‐A coding. It streamlines the realization of ANN models characterized by diverse complexities and layer structures. The proposed method is demonstrated by developing nonlinear models for GaN HEMT on two distinct substrates. GaN‐on‐Si and GaN‐on‐SiC with respective and gate widths are characterized by S‐parameters at a grid of gate and drain bias conditions. The intrinsic gate capacitance and conductances are extracted from the de‐embedded S‐parameters, which are then integrated to find the gate charges and currents. The drain current with the inherent self‐heating and trapping effects is modeled based on the pulsed IV measurement at well‐defined quiescent voltages. Subsequently, the related ANN models of these nonlinear elements are interconnected to form the intrinsic part of the large‐signal model. This intrinsic part with all ANN sub‐models is then completely implemented using a Verilog‐A‐based code. The whole ANN large‐signal model is then validated by single‐ and two‐tone radio frequency large‐signal measurements, which shows a perfect fitting with a high convergence rate. The overall simulation time is five times reduced when the developed Verilog‐A‐based ANN is used instead of the table‐based model. Overall, the large‐signal Verilog‐A‐based ANN model exhibits an improved performance enhancement compared to the conventional table‐based models. This indicates the practical viability of the Verilog‐A integration technique in modeling the nonlinear GaN HEMTs.
A Framework to Compute Resonances Arising from Multiple Scattering
Authors: Fischbach Jan David , Betz Fridtjof , Asadova Nigar , Tassan Pietro , Urbonas Darius , Stöferle Thilo , Mahrt Rainer F. , Burger Sven , Rockstuhl Carsten , Binkowski Felix , Sturges Thomas Jebb
Published: November 2024

Numerous natural and technological phenomena are governed by resonances. In nanophotonics, resonances often result from the interaction of several optical elements. Controlling these resonances is an excellent opportunity to provide light with properties on demand for applications ranging from sensing to quantum technologies. The inverse design of large, distributed resonators, however, is typically challenged by high computational costs when discretizing the entire system in space. Here, this limitation is overcome by harnessing prior knowledge about the individual scatterers that form the resonator and their interaction. In particular, a transition matrix multi‐scattering framework is coupled with the state‐of‐the‐art adaptive Antoulas–Anderson (AAA) algorithm to identify complex poles of the optical response function. A sample refinement strategy suitable for accurately locating a large number of poles is introduced. The AAA algorithm is tied into an automatic differentiation framework to efficiently differentiate multi‐scattering resonance calculations. The resulting resonance solver allows for efficient gradient‐based optimization, demonstrated here by the inverse design of an integrated exciton‐polariton cavity. This contribution serves as an important step towards efficient resonance calculations in a variety of multi‐scattering scenarios, such as inclusions in stratified media, periodic lattices, and scatterers with arbitrary shapes.
p‐Orbital Ferromagnetism Arising from Unconventional O− Ionic State in a New Semiconductor Sr2AlO4 with Insufficiently Bonded Oxygen
Authors: Zheng Xu‐Guang , Xu Chao‐Nan , Uchiyama Tomoki , Yamauchi Ichihiro , Galica Tomasz , Nishibori Eiji , Chen Ying
Published: November 2024

Oxygen in solids usually exists in an O2− ionic state. As a result, it loses its magnetic nature of a single atom, wherein two unpaired electrons exist in its outer 2p orbitals. Here, it is shown that an unconventional stable ionic state of O− is realized in a new semiconductor material Sr2AlO4, leading to an intrinsic p‐orbital ferromagnetism stable until ≈900 K. Experimental and theoretical investigations have clarified that one‐fourth of the oxygen atoms in Sr2AlO4 are insufficiently bonded in the crystal structure, resulting in a unique O−‐state and p‐orbital ferromagnetism. To date, the O− state is reported to exist only in non‐equilibrium conditions, and p‐orbital magnetism is only suggested in impurity bands with small ferromagnetic moments. The present work provides a new route for creating ferromagnetism in semiconductors and exploring new p‐orbital physics and chemistry. In addition, the material shows elastic‐mechanoluminescence that may enable unprecedented mechano‐photonic‐spintronics.
Detecting the presence of different Retzius periodicities at the population level from repetitive linear enamel hypoplasia among Lufengpithecus lufengensis and Pongo pygmaeus
Authors: Skinner Mark Fretson , Ji Xueping
Published: November 2024

Objectives

Reconstruction of life histories for fossil and living primates draws on rate of enamel layering, termed Retzius periodicity (RP in days) expressed as surface perikymata, during dental crown formation. Disclosure of RP through thin sectioning is destructive; consequently, sample sizes are inadequate to detect the range of RPs present in discrete taxa. We propose an additional method to detect RPs at the population level based on twice‐yearly average recurrence of linear enamel hypoplasia (rLEH) in apes shown by prior studies.

Materials and Methods

Casts of teeth from orangutans (Pongo pygmaeus) (n = 40) and Lufengpithecus lufengensis (n = 57) from Late Miocene Shihuiba, China, (133 and 138 LEH, respectively) were recorded with scanning electron microscope (SEM) and confocal microscopy to yield perikymata counts between episodes of LEH. Frequency distributions of aggregated perikymata counts between LEH were compared to frequency distribution of tooth‐specific ratios of perikymata counts between successive LEH (this latter step removes effects of RP differences within a sample).

Results

Drawing on prior research, two successive intervals between LEH span 1 year on average. Ratios of successive to previous intervals between LEH show that orangutans and Lufengpithecus exhibit two asymmetric intervals centered on 5.3 and 6.7 months, likely reflecting the effect of axial tilt insolation on phenology. Estimated RPs are not unimodal but show a range from 7 to 12 in Lufenpithecus and 8 to 11 in Pongo, comparable to published values.

Discussion

Repetitive LEH is sufficiently regular to detect additional RPs which, in the case of Lufengpithecus, have yet to be demonstrated histologically.
Nickel‐Catalyzed Atroposelective Carbo‐Carboxylation of Alkynes with CO2: En Route to Axially Chiral Carboxylic Acids
Authors: Li Chao , Chen Xiao‐Wang , Liao Li‐Li , Gui Yong‐Yuan , Yang Jing‐Wei , Zhang Shuo , Yue Jun‐Ping , Zhou Xiangge , Ye Jian‐Heng , Lan Yu , Yu Da‐Gang
Published: November 2024

Precise synthesis of carboxylic acids via catalytic carboxylation with CO2 is highly appealing. Although considerable advancements have been achieved in difunctionalizing carboxylation of unsaturated hydrocarbons, the asymmetric variants are conspicuously underdeveloped, particularly in addressing axially chiral alkenes. Herein, we report the first catalytic atroposelective carboxylation of alkynes with CO2. A variety of valuable axially chiral carboxylic acids are obtained with good yields and high chemo‐, regio‐, Z/E and enantio‐selectivities. Notably, an unexpected anti‐selective carbo‐carboxylation is observed in the sp2‐hybrid carbo‐electrophile‐initiated reductive carboxylation of alkynes. Mechanistic studies including DFT calculation elucidate the origin of chiral induction and anti‐selectivity in vinyl‐carboxylation of alkynes.
Enhanced Coplanarity and Giant Birefringence in Hydroxypyridinium Nitrate via Hydrogen Bonding between Planar Donors and Planar Acceptors
Authors: Yin Jian‐Ping , Guo Jingyu , Huo Hao , Liu Xin , Cheng Xue‐Jie , Lin Zheshuai , Wu Li‐Ming , Chen Ling
Published: November 2024

Birefringent crystals, which possess optical anisotropy, are important optical components. However, designing and synthesizing birefringent crystals faces the challenge of achieving anisotropic structures, especially coplanar geometries. Herein, we achieve a significant birefringence in an ionic compound (C5H6ON)+(NO3)−, (4‐hydroxypyridinium nitrate, 4HPN) by hydrogen bonding between planar donors and planar acceptors. We demonstrate that the interactions between the planar hydrogen bond donor ((C5H6ON)+) and planar hydrogen bond acceptor ((NO3)−) ensure the coplanarity during the crystal packing, generating the desired giant optical anisotropy. On two manually cut crystal chips, we observe a
=0.494 (
=0.593), which is the largest among nitrates, or hydroxypyridinium derivatives. This
value already surpasses those of the benchmark crystals, e.g., YVO4 and CaCO3, commonly used in the UV to visible and near IR spectral range. 4HPN also exhibits a strong second harmonic generation response (9.55×KDP). This strategy offers a promising avenue for the design and development of birefringent crystals with potential applications in optical communication, sensing and signal processing devices.
The Perils of Molecular Interpretations from Vibrational Spectra of Complex Samples
Authors: Eissa Tarek , Voronina Liudmila , Huber Marinus , Fleischmann Frank , Žigman Mihaela
Published: November 2024

Vibrational spectroscopy is a widely used technique for chemical characterizations across various analytical sciences. Its applications are increasingly extending to the analysis of complex samples such as biofluids, providing high‐throughput molecular profiling. While powerful, the technique suffers from an inherent limitation: The overlap of absorption information across different spectral domains hinders the capacity to identify individual molecular substances contributing to measured signals. Despite the awareness of this challenge, the difficulty of analyzing multi‐molecular spectra is often underestimated, leading to unsubstantiated molecular interpretations. Here, we examine the prevalent overreliance on spectral band assignment and illuminate the pitfalls of correlating spectral signals to discrete molecular entities or physiological states without rigorous validation. Focusing on blood‐based infrared spectroscopy, we provide examples illustrating how peak overlap among different substances, relative substance concentrations, and preprocessing steps can lead to erroneous interpretations. We advocate for a viewpoint shift towards a more careful understanding of complex spectra, which shall lead to either accepting their fingerprinting nature and leveraging machine learning analysis – or involving additional measurement modalities for robust molecular interpretations. Aiming to help translate and improve analytical practices within the field, we highlight the limitations of molecular interpretations and feature their viable applications.
Location‐Specific Microenvironment Modulation Around Single‐Atom Metal Sites in Metal–Organic Frameworks for Boosting Catalysis
Authors: Hu Shuaishuai , Huang Jiajia , Gao Ming‐Liang , Lin Zhongyuan , Qian Yunyang , Yang Weijie , Jiao Long , Jiang Hai‐Long
Published: November 2024

Despite coordination environment of catalytic metal sites has been recognized to be of great importance in single‐atom catalysts (SACs), a significant challenge remains in the understanding how the location‐specific microenvironment in the higher coordination sphere influences their catalysis. Herein, a series of Cu‐based SACs, namely Cu1/UiO‐66‐X (X=‐NO2, ‐H, and ‐NH2), are successfully constructed by anchoring single Cu atoms onto the Zr‐oxo clusters of metal–organic frameworks (MOFs), i.e., UiO‐66‐X. The ‐X functional groups dangling on the MOF linkers could be regarded as location‐specific remote microenvironment to regulate electronic properties of the single Cu atoms. Remarkably, they exhibit significant differences in the catalysis toward the hydroboration of alkynes. The activity follows the order of Cu1/UiO‐66‐NO2 > Cu1/UiO‐66 > Cu1/UiO‐66‐NH2 under identical reaction conditions, where Cu1/UiO‐66‐NO2 showcases the phenylacetylene conversion of 92 %, ~3.5 times higher efficiency than that of Cu1/UiO‐66‐NH2. Experimental and calculation results jointly support that the Cu electronic structure is modulated by the location‐specific microenvironment, thereby regulating the product desorption and promoting the catalysis.
Confinement Effects and Manipulation Strategies of Nanocomposite Membranes towards Molecular Separation
Authors: Chen Guining , Zhu Haipeng , Liu Guozhen , Liu Gongping , Jin Wanqin
Published: November 2024

Materials featuring well‐defined nanoscale channels offer inherent advantages in the selective transport of gases, liquids, and ions, making them pivotal in applications such as molecular separation, catalysis and energy storage. A crucial challenge lies in assembling ordered nanochannel structures and translating these microscopic architectures into macroscopic regular distributions to enhance performance. Nanocomposites provide a promising solution by incorporating nanoscale material (e.g., filler) that significantly enhances macroscale properties of matrix (e.g., polymer). In this review, we spotlight nanocomposite membranes nanocomposite membranes that utilize confinement effects between filler and matrix to precisely control nanochannel apertures, surface properties, and channel distribution for efficient separation of target systems. We discussed the underlying design principles, channel architectures, and strategies for optimizing polymer‐filler interfaces and nanochannel manipulation within functional membranes. Emphasis is placed on the fundamental mechanisms of mass transport, and the structure‐property‐performance relationships within the nanocomposite membranes towards molecular separation. This work aims to provide a comprehensive understanding of how these nanocomposite membranes can be further developed to meet the demands of industrial and environmental applications.
An active ester‐cured resveratrol‐based epoxy film with excellent thermal and dielectric performances for high‐frequency applications
Authors: Wang Xiang , Zhao Zhixi , Tian Jizhen , Zou Huawei , Liu Pengbo
Published: November 2024

In the field of electronic packaging, epoxy resins with good thermal and dielectric performances have attracted extensive attention. In this work, a novel epoxy resin was synthesized from resveratrol, and its structure was characterized by NMR and FTIR. The resveratrol‐based epoxy resin was cured with an active ester, and the properties of the cured system were further studied. The results showed that the resveratrol‐based epoxy cured with active ester had excellent comprehensive properties, its dielectric constant (Dk) was 2.63, dissipation factor (Df) was 4.91‰ at high frequency of 10 GHz; moreover, its glass transition temperature (Tg) was 188°C, coefficient of thermal expansion (CTE) was 70.7 ppm/°C, 5% mass loss temperature (Td5%) was 390°C. These results suggested that a biomass epoxy resin with excellent thermal and dielectric performances had been successfully synthesized, which had potential application in the field of high‐frequency communication.
High Vulnerability of Rhodolith Bed Frameworks and Underlying Sediment to Ongoing Ocean Climate Change
Authors: Hicks Aidan , Millar Kyle R. , Gagnon Patrick
Published: November 2024

Rhodoliths are non‐geniculate, free‐living coralline red algae that can accumulate on the seafloor and form structurally complex habitats supporting highly biodiverse communities termed rhodolith beds. Limited understanding of key rhodolith kinetical attributes and how they scale with environmental variability limits ability to predict changes in rhodolith bed distribution and abundance in a globally changing ocean climate. We carried out two experiments in an oscillatory wave tank to test the effects of (1) rhodolith (Boreolithothamnion glaciale) density and wave velocity on rhodolith displacement and abrasion over a hard substratum and (2) rhodolith density on rhodolith displacement and the stability of underlying sediment. We established that on a hard substratum, (1) a threshold wave velocity of ~0.3 m s−1 is required to induce noticeable displacement in average‐sized rhodoliths and (2) rhodolith abrasion increases (quasi‐linearly) with wave velocity up to this threshold. We also showed that (3) for a same rhodolith density, rhodolith displacement is at least two times smaller on a sedimentary than hard substratum and (4) the loss of sediment underneath rhodoliths decreases (quasi‐linearly) with an increase in rhodolith density. Rates documented and strong scaling with changes in water motion and rhodolith density indicate that relatively small changes in the density of rhodoliths or hydrodynamic forces can quickly destabilize rhodolith bed frameworks and underlying sediment. These rates can be used to develop predictive models of change in rhodolith bed distribution and abundance that can in turn inform development of more accurate, science‐based rhodolith bed conservation strategies.
Solvent Dictated Organic Transformations
Authors: Khandelia Tamanna , Panigrahi Pritishree , Ghosh Subhendu , Mandal Raju , Doley Barlina , Patel Bhisma K.
Published: November 2024

Solvent plays an important role in many chemical reactions. The C−H activation has been one of the most powerful tools in organic synthesis. These reactions are often assisted by solvents which not only provide a medium for the chemical reactions but also facilitate reaching to the product stage. The solvent helps the reaction profile both chemically and energetically to reach the targeted product. Organic transformations via C−H activation from the solvent assistance perspective has been discussed in this review. Various solvents such as tetrahydrofuran (THF), MeCN, dichloromethane (DCM), dimethoxyethane (DME), 1,2‐dichloroethane (1,2‐DCE), dimethylformamide (DMF), dimethylsulfoxide (DMSO), isopropyl nitrile (iPrCN), 1,4‐dioxane, AcOH, trifluoroacetic acid (TFA), Ac2O, PhCF3, chloroform (CHCl3), H2O, N‐methylpyrrolidone (NMP), acetone, methyl tert‐butyl ether (MTBE), toluene, p‐xylene, alcohols, MeOH, 1,1,1‐trifluoroethanol (TFE), 1,1,1,3,3,3‐hexafluoroisopropanol (HFIP), tert‐amyl alcohol and their roles are discussed. The exclusive role of the solvent in various transformations has been deliberated by highlighting the substrate scope, along with the proposed mechanisms. For easy classification, the review has been divided into three parts: (i) solvent‐switched divergent C−H activation; (ii) C−H bond activation with solvent as the coupling reagent, and (iii) C−H activation with solvent caging and solvent‐assisted electron donor acceptor (EDA) complex formation and autocatalysis.
Evolution of Ultrathin CoFe‐Nanomesh for Oxygen Evolution Reaction: From Slit Pores to Ink‐Bottle Pores
Authors: Sharma Shashank , Paul Amit
Published: November 2024

The time‐dependent mechanism underlying the formation of Co0.8Fe0.2(OH)x‐t nanomesh (nanomesh having 80 % Co and 20 % Fe, “t” represents materials synthesis time) has been identified towards the development of a highly effective catalyst for the oxygen evolution reaction (OER). Utilizing 2‐ethyl imidazole (2‐HEIM) as an etching reagent and the Ostwald ripening process enabled the evolution of nanomesh formation with a precise pore size of ink‐bottle shape. Characterization techniques, including N2‐adsorption/desorption, and transmission electron microscopy (TEM) analyses, confirmed the evolution of pore structure from layered double hydroxide‐like structure to hierarchical slit‐pores to uniform ink‐bottle pores after 24 h of synthesis with limited pore shrinkage attributable to iron redeposition at the pore entrances. Atomic force microscopy (AFM) showed a gradual reduction in nanomesh thickness with an increase in synthesis time up to 24 h, indicative of successful exfoliation. The best catalyst (Co0.8Fe0.2(OH)x‐24 h) was developed after 24 h of synthesis, having 3.8 nm ink‐bottle‐shaped pores on the basal plane of nanosheets with only 3–4 layers. Co0.8Fe0.2(OH)x‐24 h nanomesh exhibited the best catalytic performance, characterized by a 330 mV overpotential, a mass activity of 309.1 A/g, and a turnover frequency of 2.28 s−1. Furthermore, electrochemical impedance spectroscopy indicated a low charge transfer resistance (5.9 Ω) and pseudoresistance (35.3 Ω), highlighting efficient electron transfer at the electrode/electrolyte interface and enhanced oxygen evolution reaction kinetics, respectively. An increased electrochemical surface area (70.74 cm2) and a high roughness factor of approximately 1010 underlined the importance of narrow mesopores in facilitating catalyst‐electrolyte interactions and improving mass transport. The best material demonstrated remarkable stability during 25 h of electrolysis with a high average current density of 14.5 mA/cm2. Hence, this research underscores the critical role of pore morphology in nanomeshes for optimizing catalytic performance and providing stability under vigorous gas evolution due to catalysis.
Simulation von Betonstrukturen mit mineralisch gebundener Carbonfaserbewehrung
Authors: Zernsdorf Kai , Mechtcherine Viktor , Curbach Manfred , Bösche Thomas
Published: November 2024

Das Verbundverhalten zwischen Bewehrung und Beton sowie die Betonschädigung sind entscheidend für die Gebrauchstauglichkeit von Bauteilen. Die Prognose von Verformungen, Rissabständen und ‐öffnungen in Strukturen unter Zug‐ und Biegebeanspruchung stellt aufgrund des Schädigungsverhaltens des Betons sowie seines nichtlinearen Verbundverhaltens eine Herausforderung dar. Die Studie ist auf die experimentelle und numerische Untersuchung von Betonstrukturen ausgerichtet, die mit mineralisch gebundenen Carbonfasern (MCF) bewehrt sind. Ziel der Arbeit ist es, numerische Struktur‐ und Materialmodelle zu definieren und zu validieren, die eine präzise Vorhersage des Trag‐, Verformungs‐ und Rissbildungsverhaltens MCF‐bewehrter Bauteile ermöglichen. Im Folgenden werden die eigens durchgeführten experimentellen Dehnkörperversuche sowie der 4‐Punkt‐Biegezugversuch dargelegt. Der Beschreibung der experimentellen Untersuchungen folgen die Definition und die Erläuterung der numerischen Modelle, die in dieser Studie zugrunde gelegt werden. Abschließend werden die Modelle danach bewertet, wie gut sie die experimentellen Versuche wiedergegeben. Durch Definition und Validierung numerischer Struktur‐ und Materialmodelle für MCF‐bewehrte Betonstrukturen sollen die Berechnung und die Bemessung ermöglicht werden, um die Anwendung des innovativen Bewehrungsmaterials in weiteren Bauteilen zu fördern.
Macronutrient interactions and models of obesity: Insights from nutritional geometry
Authors: Wali Jibran A. , Ni Duan , Raubenheimer David , Simpson Stephen J.
Published: November 2024

The global obesity epidemic results from a complex interplay of genetic and environmental factors, with diet being a prominent modifiable element driving weight gain and adiposity. Although excess intake of energetic macronutrients is implicated in causing obesity, ongoing debate centers on whether sugar or fat or both are driving the rising obesity rates. This has led to competing models of obesity such as the “Carbohydrate Insulin Model”, the “Energy Balance Model”, and the “Fructose Survival Hypothesis”. Conflicting evidence from studies designed to focus on individual energetic macronutrients or energy rather than macronutrient mixtures underlies this disagreement. Recent research in humans and animals employing the nutritional geometry framework (NGF) emphasizes the importance of considering interactions among dietary components. Protein interacts with carbohydrates, fats, and dietary energy density to influence both calorie intake (“protein leverage”) and, directly and indirectly, metabolic physiology and adiposity. Consideration of these interactions can help to reconcile different models of obesity, and potentially cast new light on obesity interventions.
Cr3+‐Activated Deep Trap Electron‐Trapping Biphasic Mixture of Zn (Al,Ga)2O4 and Zn2GeO4 for Multilevel Information Storage by Trap Multiplexing and Wavelength Multiplexing
Authors: Wang Zhigang , Wang Jiayu , Gao Dangli , Xu Wenqian , Gao Wenna , Zhang Xiangyu , Yun Sining , Wang Xiaojun
Published: November 2024

Double wavelength emitting phosphors with hypersensitive thermal response are important for optical/thermal sensors and multiplexing optical data storage technology. However, it is a daunting challenge to develop multicolor electron‐trapping materials with superheat sensitivity and anomalous quenching luminescence characteristics for information storage. Here, based on the selection of host lattice and the control of doping ion types, we have designed Mn2+‐ and/or Cr3+‐activated persistent materials with excellent fluorescence properties. Among these phosphors, Mn,Cr co‐activated biphasic mixture exhibits not only sensitive anomalous thermosensitive fluorescence properties but also multicolor and multimode fluorescence emission characteristics derived from Mn and Cr simultaneously. The corresponding multimode fluorescence mechanism is proposed based on afterglow energy transfer and deepening trap effect. Especially, based on the excellent fluorescence performances, these phosphors as information storage medium demonstrate multilevel information storage by a combination of the trap multiplexing and wavelength multiplexing technologies. The study here provides not only the ideas for designing and synthesizing new electronic materials but also a material foundation for the fourth generation of optical information storage and encryption.
Lysosome‐Targeted Bifunctional Fluorescent Probe and Type I/II Photosensitizer for Viscosity Imaging and Cancer Photodynamic Therapy
Authors: Liu Du , An Hongyan , Li Xianglong , Wang Benhua , Zhao Shaojing , Lan Minhuan , Yang Zhanhong , Song Xiangzhi
Published: November 2024

Abnormal lysosomal viscosity is closely associated with cancer progression, underscoring the need for bifunctional fluorescent probes and photosensitizers (PSs) that can both monitor viscosity and facilitate imaging‐guided therapy for simultaneous cancer diagnosis and treatment. Despite advances in lysosome‐targeted PSs development, few have demonstrated the ability to generate both Type I and Type II reactive oxygen species (ROS). In this study, we present BTTPA, a lysosome‐targeted fluorescent probe and photosensitizer, designed to integrate cancer diagnosis via viscosity imaging and cancer treatment through photodynamic therapy (PDT). Our findings reveal that BTTPA selectively targets lysosomes, enabling dynamic monitoring of cellular viscosity and distinguishing cancer cells from normal cells. Upon light activation, BTTPA efficiently generates both Type I and Type II ROS. Apoptosis assays further confirm BTTPA's effectiveness in inducing cancer cell apoptosis, highlighting its potential as a powerful tool for cancer diagnosis and therapy.
Investigating the dysregulation of genes associated with glucose and lipid metabolism in gastric cancer and their influence on immunity and prognosis
Authors: Li Yan , Zeng Zhaolin
Published: November 2024

Gastric cancer (GC) is one of the most prevalent malignant tumors globally, characterized by a high mortality rate. The disruption of glucose and lipid metabolism plays a critical role in the occurrence and progression of GC. By integrating single‐cell and bulk RNA sequencing data, we identified 135 marker genes associated with glucose and lipid metabolism in GC. Building on this, we conducted prognosis and immune‐related analyses, followed by cluster analysis that depicted various molecular subtypes, elucidating their distinct molecular mechanisms and treatment strategies. This includes examining how genes related to glucose and lipid metabolism influence GC prognosis through immune pathways. Additionally, we established a clinical prognostic model characterized by THRAP3, KLF5, and ABCA1. Notably, the core target gene ABCA1 may serve as a prognostic and immunotherapy biomarker for GC.
Cannabis Use and Age‐Related Changes in Cognitive Function From Early Adulthood to Late Midlife in 5162 Danish Men
Authors: Høeg Kirstine Maarup , Frodegaard Rasmus Ljungbeck , Grønkjær Marie , Osler Merete , Mortensen Erik Lykke , Flensborg‐Madsen Trine , Okholm Gunhild Tidemann
Published: November 2024

Introduction

Cannabis is by far the most widely used and abused drug listed on the Drug Enforcement Administration's Schedule I, which includes drugs with a high potential for abuse. There is evidence of short‐term negative effects of cannabis use on cognition, but only a limited number of studies have explored the association between cannabis use and age‐related cognitive decline. The aim of the present study was to investigate the relationship between cannabis use and age‐related cognitive decline from early adulthood to late midlife.

Methods

The study population consisted of 5162 men who had participated in Danish follow‐up studies on cognitive aging. These studies included scores on the military intelligence test Børge Prien's Prøve from both the conscription assessment (mean age = 20 years; p1 and p99: 18 and 26 years) and from the follow‐up (mean age = 64 years; p1 and p99: 55 and 72 years) as well as extensive data on lifestyle and health from the follow‐up questionnaires. The association between cannabis use and age‐related cognitive decline was investigated in linear regression models.

Results

Men with a history of cannabis use had less cognitive decline from early adulthood to late midlife compared to men without a history of cannabis use. Among cannabis users, neither age of initiation of cannabis use nor frequent use was significantly associated with a greater age‐related cognitive decline.

Discussion and Conclusions

In a sample of more than 5000 men followed for a mean of 44 years, we found no significant harmful effects of cannabis use on age‐related cognitive decline.
Green credit policy, technological innovation, and corporate financial performance: Evidence from the energy industry
Authors: Dogah Kingsley E. , Wesseh Presley K. , Adomako Samuel
Published: November 2024

Despite extensive research on the impact of green policies on firm growth and performance, there has been little effort dedicated to understanding the effect of green credit policies on firms.

In this article, we fill this gap by investigating the effect of green credit policy on financial performance. Additionally, we examine the moderating role of technological innovation in this relationship. Using data from listed companies in the energy sector, our findings reveal that green credit policies negatively affect financial performance. However, this negative impact is ameliorated at a high level of technological innovation (e.g., high‐technology and green patents). Specifically, the mechanism analysis reveals enterprises with high‐tech invention patents convey positive prospects to investors, whereas green patents signal firms' green innovation capabilities, thereby attracting external financing. Moreover, our findings revealed that environmental performance attenuates the negative effect of green credit policy on financial performance.

Our heterogeneity analysis reveals that invention patents significantly benefit the financial performance of state‐owned and large enterprises in the traditional energy sector, whereas green patents have a positive effect in the new energy sector, predominantly for non‐state‐owned and smaller companies. These findings offer both theoretical and policy implications for sustainability research and practice.
Sustainability orientation and post‐entry performance: The role of brand and market‐oriented capabilities
Authors: Frimpong Kwabena , Adomako Samuel , Nguyen Nguyen Phong , AI‐Shuridah Obaid
Published: November 2024

The adoption of sustainability orientation (SO) by international new ventures (INVs) has been generally noted to positively influence their post‐entry performance. However, knowledge is lacking on organizational mechanisms and firm capabilities which combine with SO to help firms achieve improved post‐entry performance. Consequently, we adopted the natural resource‐based view (NRBV) to explore how international brand orientation (IBO) mediates this relationship. In addition, we shed light on when the relationship is more pronounced by examining how firms' dynamic capability, relating to levels of market orientation (MO), enhances or attenuates this linkage. Using time‐lagged data from 288 INVs operating in Ghana, the results reveal that the positive effect of SO on post‐entry performance is mediated by IBO. Additionally, the effect of IBO on post‐entry performance is amplified when a firm's MO is high. Thus, we show that INVs from developing markets are more likely to maximize the positive effects of pro‐environmental strategies on their global market performance if these are complemented by effective brand management and elevated market‐oriented capabilities.
Exploration of a virtual reality exercise to help train police with responding to mental health crises in the community
Authors: Dario Lisa M. , Saginor Jesse D.
Published: November 2024

Background

A substantial number of police–citizen interactions involve a civilian presenting in a mental health crisis, often with law enforcement as the first point of contact. Traditional training methods offer minimal opportunity for police to practice navigating such civilian interactions or to develop and strengthen relevant skills. Virtual reality (VR) offers a promising avenue for addressing this gap by immersing police officers in realistic, controlled environments that could help them to acclimatise to these encounters and understand their own reactions to them.

Aims

To examine the extent to which law enforcement officers become immersed in a virtual training environment (VTE), to assess their empathy and sympathy towards a non‐player character (NPC) presenting with schizophrenic psychosis and how empathy and sympathy relate to virtual immersion.

Methods

Forty police officers—about a fifth of the department approached—participated in a VR mental health training scenario. Officers' immersion in the VTE was assessed using a 28‐item Presence Questionnaire and their empathy and sympathy were measured using adapted standard scales. The study employed Fisher's Exact Test and Spearman's correlation to analyse the relationships between immersion, empathy and sympathy.

Results

Most officers experienced good levels of immersion, although nearly half felt confused or disoriented at the beginning of the session. Officers reported moderate levels of sympathy and higher empathy towards a non‐player character. Significant correlations were found between specific aspects of immersion (e.g. sensory engagement) and empathy. Fisher's Exact Test revealed strong associations between physical interactions in the VTE and empathy/sympathy.

Conclusions

Our findings show that police are willing and able to engage in a VR exercise to learn about their response to people in a mental health crisis and that, in such circumstances, they can be both sympathetic and empathic. Next steps will be exploration of the value of such a tool to enhance real‐life responding.
Comparative analysis of different carrier agents on functional, structural, and thermal properties of spray‐dried probiotic Lactobacillus casei powder
Authors: Sharma Poorva , Nickerson Michael T. , Korber Darren R.
Published: November 2024

Background and Objectives

The aim of this study was to investigate the effect of incorporation of different plant‐based polysaccharides (pectin, maltodextrin (MD) and gum arabic (GA)) with pea protein isolate (PPI) to obtain maximum encapsulation efficiency (EE), gastrointestinal (GI) stability and yield of probiotic Lactobacillus casei through spray drying. Several characteristics of encapsulated vegan probiotic powders were evaluated including functional, structural, and thermal characteristics.

Findings

The results showed that the highest EE (93.9%) and in vitro GI stability (8.58 log CFU/mL) was obtained with the powder encapsulated with PPI + GA. Variation in particle size was observed for all the samples. Confocal laser micrographs and vital staining revealed the highest viability of probiotic L. casei cells that were obtained with those encapsulated in PPI + GA. Thermal properties showed that the incorporation of GA increased the glass transition temperature up to 189.2°C, which represented a higher thermal stability of the powder.

Conclusions

PPI + GA coated powder was found with acceptable powder characteristics and maximum probiotic survivability.

Significance and Novelty

In this study, spray drying was used to encapsulate the probiotic bacteria which is a convenient and effective process for industrial applications. Characterization of the spray‐dried encapsulated probiotic powder has been done, which helps to understand the behavior of powder in terms of solubility, flowability, thermal stability, and probiotic viability. PPI was used as carrier material, which bridges the gap between already available spray‐dried products containing MD as carrier material, which could spike blood sugar levels if consumed over an extended period of time. As per the results, target product applications could include sports bars, cereals, and baking where dispersibility is not imperative.
A case report of an oral hemangioma with unusual features
Authors: Salari Samaneh , Mohtasham Nooshin , Imanimoghaddam Mahrokh , Amirchaghmaghi Maryam , Fayyazi Mahsa
Published: November 2024

Key Clinical Message

A 26‐year‐old patient with swelling on the lingual surface of the mandible in the incisors area was referred to the Faculty of Dentistry at Mashhad University of Medical Sciences. After conducting clinical, radiographic, and pathological examinations, the patient was diagnosed with capillary hemangioma. This study explores the clinical manifestation and unusual behavior of intraoral hemangioma.

Hemangioma is a tumor that occurs due to the proliferation of endothelial cells in 4%–5% of infants and affects the head and neck region in almost 70% of cases. The tumor in the mouth can appear as a soft, smooth, or lobulated mass with or without a base and varying in size from a few millimeters to a few centimeters. This article reports a case of hemangioma with unusual clinical features in a 26‐year‐old male patient.
Odorant Binding Proteins Facilitate the Gas‐Phase Uptake of Odorants Through the Nasal Mucus
Authors: Paesani Massimiliano , Goetzee Arthur G. , Abeln Sanne , Mouhib Halima
Published: November 2024

Mammalian odorant binding proteins (OBPs) have long been suggested to transport hydrophobic odorant molecules through the aqueous environment of the nasal mucus. While the function of OBPs as odorant transporters is supported by their hydrophobic beta‐barrel structure, no rationale has been provided on why and how these proteins facilitate the uptake of odorants from the gas phase. Here, a multi‐scale computational approach validated through available high‐resolution spectroscopy experiments reveals that the conformational space explored by carvone inside the binding cavity of porcine OBP (pOBP) is much closer to the gas than the aqueous phase, and that pOBP effectively manages to transport odorants by lowering the free energy barrier of odorant uptake. Understanding such perireceptor events is crucial to fully unravel the molecular processes underlying the olfactory sense and move towards the development of protein‐based biomimetic sensor units that can serve as artificial noses.
Mechano‐Responsive Fluorescent Gel based on Tetraphenylethylene‐Crosslinked Dynamic Covalent Network
Authors: Xie Xiaohe , Bai Weiwei , Wang Nanqiao , Qiu Ziyan , Song Xianxiao , Gao Yuhao , Li Botian
Published: November 2024

The rapid development of mechano‐responsive fluorescence has been driven by its promising applications in the fields of sensors, information encryption, and anti‐counterfeiting. However, designing mechanophores that can exhibit fluorescence changes under relatively low force remains challenging. In this study, a mechano‐responsive fluorescent gel was developed using a tetraphenylethylene derivative as a cross‐linker, producing a dynamic covalent network that exhibits increased fluorescence under tensile stress. Based on controlled experimental studies and molecular modeling calculations, the fluorescence enhancement by external forces was attributed to the restriction of intramolecular motion in tetraphenylethylene by macromolecular chain orientation. In time‐dependent experiments, due to the exchange of dynamic covalent bonds, the stress relaxation and the decrease in fluorescence intensity of the gel at fixed strain occurred simultaneously, demonstrating the potential of this fluorescence as an indication of internal stress through aggregation‐induced emission (AIE) type mechanophore.
Resolution and Absolute Configuration of Fargesin Enantiomers
Authors: Mestriner Eloá R. , Lee Eric Y. , Cunha Camila L. , Sousa Victor M. S. , Nascimento Isabele R. , Batista João M.
Published: November 2024

Fargesin is an important bioactive furofuran lignan isolated from different plant species. Despite presenting potent biological activities, its stereochemical characterization has relied mostly on empirical correlations of optical rotation, an approach considered risky that commonly leads to misassignments and error propagation. Additionally, the enantiomeric purity of fargesin isolates used for biological assays has not been previously investigated. Herein, we report the enantioresolution of a scalemic mixture of fargesin isolated from Aristolochia warmingii along with the first unambiguous determination of the absolute configuration of each enantiomer by means of optical rotatory dispersion, as well as electronic and vibrational circular dichroism aided by quantum‐chemical calculations.
Computational approach for copolymerization of lactide with lactone (5HDON) inimer
Authors: Paul Geetu P , Nagajyothi Virivinti , Mitra Kishalay
Published: November 2024

Polylactide, a biodegradable polymer, has garnered significant attention due to its environmental sustainability and application versatility. The present study introduces a comprehensive mathematical model for the sustainable production of branched polylactide through ring‐opening polymerization (ROP) of L‐lactide with 5HDON (5‐hydroxymethyl‐1,4‐dioxane‐2‐on), using Sn(Oct)2. The model incorporates a derived reaction mechanism, mass and population balance equations, and the method of moments to predict average molecular properties. Kinetic parameters are estimated through optimization techniques such as particle swarm optimization (PSO), simulated annealing (SA), and genetic algorithm (GA). The model effectively predicts the behaviour of different lactide/5HDON ratios (PLLH80, PLLH94, PLLH97, and PLLH99), revealing a positive correlation between monomer concentration and average molecular weight and an inverse correlation with degree of branching. Notably, PLLH80 exhibits superior branching compared to PLLH99, demonstrating the potential for tailoring polymer properties via controlled lactide/5HDON ratios. Moreover, this work offers a robust tool for optimizing copolymer synthesis for diverse industrial applications.