bluuebunny/crossref_metadata_2025 huggingface dataset:
Disentangling Contact Location for Stretchable Tactile Sensors from Soft Waveguide Ultrasonic Scatter Signals
Authors: Li Zhiheng , Lin Yuan , Shull Peter B. , Ren Hongliang
Published: October 2024

Flexible tactile sensors have the ability to provide unparalleled levels of tactile sensation, including information regarding roughness, contact force, and contact location. However, it remains a challenge to achieve precise contact location sensing that is decoupled from sensor strain and touching forces. This paper proposes a novel data‐driven approach for force contact location sensing (FCLS) with the influence of sensor strain and forces based on scatter signals (SS) of the ultrasonic waveguide. First, the envelope of the force contact scatter signal (FCSS) is extracted via the Hilbert transform, which retrieves the global features of SS. The time‐frequency spectrogram is obtained via continuous wavelet transform, which extracts the local features of SS. Second, a deep convolutional neural network (CNN) is utilized to extract these features separately and concentrate them together. Third, based on the outputs of the CNN, a multilayer perception regression model is applied to acquire the force contact location. The experimental results indicate that the accuracy of the proposed FCLS method has a mean absolute error of 0.627 mm and a mean relative error of 3.19%. This research provides a foundation for further multimodal sensing using ultrasonic waveguides and its application in robotic sensing.
Lower Socioeconomic Status Predicts Increased Proinflammatory Signaling in Late Pregnancy: Evidence From a Filipino Cohort
Authors: Ragsdale Haley B. , Butler Margaret S. , Koning Stephanie M. , Bas Isabelita N. , McDade Thomas W.
Published: October 2024

Objectives

Maternal socioeconomic status (SES) is an important predictor of adverse birth outcomes and postnatal health across global populations. Chronic inflammation is implicated in cardiometabolic disease risk in high‐income contexts and is a potential pathway linking maternal adversity to offspring health trajectories. To clarify how socioeconomic inequality shapes pregnancy inflammation in middle‐income settings, we investigated SES as a predictor of inflammatory cytokines in late gestation in a sample from the Cebu Longitudinal Health Nutrition Survey in Cebu, Philippines.

Methods

We used multiple regression to evaluate maternal SES, reflected in household assets, as a predictor of general inflammation (C‐reactive protein), inflammatory cytokines (interleukin‐6, interleukin‐10), and inflammatory balance (n = 407). Inflammatory markers were measured at 29.9 weeks gestation in dried blood spots, and a measure reflecting relative balance of IL6 and IL10 was calculated to capture pro‐ versus anti‐inflammatory skewed immune profiles.

Results

Greater household assets significantly predicted lower IL6 concentration (p <  0.001), with a trend toward lower IL6 relative to IL10 (p = 0.084). C‐reactive protein and IL10 were not individually related to SES.

Conclusions

The inverse relationship between SES and pregnancy inflammation in Cebu is consistent with results from high‐income settings. These findings further highlight the influence of socioeconomic conditions on immune regulation during pregnancy. Given the evidence that gestational inflammation impacts offspring fetal growth, our results suggest that social and economic effects on immune function may be an important pathway for the intergenerational transmission of health disparities.
Mn(I)‐Catalyzed C−H Allylation of Indoles with 2‐Vinylaziridines
Authors: Zeng Hong , Wang Zhong‐Xia
Published: October 2024

Mn(CO)5Br‐catalyzed reaction of 1‐(2‐pyrimidyl)indoles with 1‐sulfonyl‐2‐vinylaziridines in THF in the presence of 0.25 equiv. of NaOAc affords 2‐allylated indoles in 31 % to 100 % yields. The protocol suits for 3‐, 4‐, 5‐, 6‐, and 7‐substituted indoles and N‐(2‐pyrimidyl)pyrroles as well as various 1‐(arylsulfonyl)‐2‐vinylaziridines such as 1‐(phenylsulfonyl)‐2‐vinylaziridine, 1‐(naphthalen‐2‐ylsulfon‐yl)‐2‐vinylaziridine, and 1‐(substituted phenylsulfonyl)‐2‐vinylazirid‐ines. Functional groups including alkyl, alkoxy, halogen, CHO, COOMe, CF3, CN, and NO2 groups are tolerated.
Effects of functional endoscopic sinus surgery on asthma control in patients with comorbid chronic rhinosinusitis and asthma: A national database study
Authors: Kabongo Mbuyi Madeleine , Levy Joshua M. , Roland Lauren T.
Published: October 2024

Key points

In patients with chronic rhinosinusitis and comorbid asthma, patients with surgical intervention required less asthma rescue medication, as compared to those who did not undergo surgery.

Following sinus surgery, patients with chronic rhinosinusitis and asthma required more asthma medication, as compared to the time period prior to surgery.
Animal models in neuroscience with alternative approaches: Evolutionary, biomedical, and ethical perspectives
Authors: Neziri Sabina , Köseoğlu Ahmet Efe , Deniz Köseoğlu Gülsüm , Özgültekin Buminhan , Özgentürk Nehir Özdemir
Published: October 2024

Animal models have been a crucial tool in neuroscience research for decades, providing insights into the biomedical and evolutionary mechanisms of the nervous system, disease, and behavior. However, their use has raised concerns on several ethical, clinical, and scientific considerations. The welfare of animals and the 3R principles (replacement, reduction, refinement) are the focus of the ethical concerns, targeting the importance of reducing the stress and suffering of these models. Several laws and guidelines are applied and developed to protect animal rights during experimenting. Concurrently, in the clinic and biomedical fields, discussions on the relevance of animal model findings on human organisms have increased. Latest data suggest that in a considerable amount of time the animal model results are not translatable in humans, costing time and money. Alternative methods, such as in vitro (cell culture, microscopy, organoids, and micro physiological systems) techniques and in silico (computational) modeling, have emerged as potential replacements for animal models, providing more accurate data in a minimized cost. By adopting alternative methods and promoting ethical considerations in research practices, we can achieve the 3R goals while upholding our responsibility to both humans and other animals. Our goal is to present a thorough review of animal models used in neuroscience from the biomedical, evolutionary, and ethical perspectives. The novelty of this research lies in integrating diverse points of views to provide an understanding of the advantages and disadvantages of animal models in neuroscience and in discussing potential alternative methods.
Stabilizing and Guiding Rogue Waves in a Cold Atomic Gas
Authors: Hang Chao , Huang Guoxiang
Published: October 2024

Rogue waves (RWs) are mysterious nonlinear waves and have attracted much attention in recent years. However, they are usually unstable during propagation. Here, a scheme for stabilizing and guiding optical RWs in a cold atomic gas working under the condition of electromagnetically induced transparency is presented. It is shown that an external potential for probe laser field can be created by using an assisting laser field. If the assisting laser field has the form of Gaussian beam, the instability of the RWs can be largely suppressed. It is also shown that the RWs can be stabilized and guided to propagate along curved trajectories if the assisting laser field has the form of Airy beam. The results reported here contribute to the effort for stabilizing and manipulating RWs, which may have potential applications in optical transmission and information processing.
Ein ortsspezifischer Click‐Chemie‐Ansatz zur Diubiquitylierung von H1‐Varianten zeigt eine positionsabhängige Stimulation des DNA‐Reparaturproteins RNF168
Authors: Franz Pauline , Delvaux de Fenffe Charlotte M. , Fierz Beat
Published: October 2024

Die Ubiquitylierung von Histon H2A an den Lysinen 13 und 15 (H2AK13/15) durch die E3 Ligase RNF168 spielt eine entscheidende Rolle bei der Organisation der Reparatur von DNA‐Doppelstrangbrüchen (DSB), deren Regulation bei Krebs häufig gestört ist. Die Aktivität von RNF168 wird durch Signalkaskaden ausgelöst, und frühere Untersuchungen haben die K63‐verknüpfte Polyubiquitylierung des Linkerhistons H1 als möglichen Ankerpunktidentifiziert. Direkte experimentelle Beweise für diesen Mechanismus sind jedoch schwer zu erbringen, was vor allem daran liegt, dass es keine Methoden gibt, um H1 spezifisch zu polyubiquitylieren. Hier haben wir einen Click‐Chemie‐Ansatz entwickelt, um mehrere Proteine ortsspezifisch, kontrolliert und schrittweise kovalent zu verknüpfen. Mittels dieser Methode synthetisierten wir H1‐Varianten und installierten daran triazol‐verknüpftes Diubiquitin. Die gewählten Positionen entsprachen vier Ubiquitylierungs‐Hotspots (H1KxUb2, an K17, 46, 64 und 96), welche mit der DNA‐Reparatur‐assoziiert sind. In Nukleosomenarrays stimulierten die H1KxUb2 Varianten die Ubiquitylierung von H2A durch RNF168, wobei H1K17Ub2 den stärksten RNF168‐Aktivierungseffekt zeigte. Durch die Einführung von H1K17Ub2 in lebende U‐2 OS‐Zellen können wir zudem zeigen, dass die Bindung an Diubiquitin die treibende Kraft für die Rekrutierung von RNF168 zu den Chromatinfasern darstellt. Insgesamt stützen unsere Ergebnisse die Hypothese, dass polyubiquityliertes H1 die Rekrutierung von RNF168 an DSB steuert. Darüber hinaus zeigen wir, wie die effiziente Synthese von H1KxUb2‐Varianten mechanistische Studien zur Regulierung von RNF168 ermöglicht, mit potenziellen Anwendungen für die Entwicklung von Inhibitoren dieses Enzyms bei bestimmten Krebsarten.
Photochemically Triggered and Autonomous Oscillatory pH‐Modulated Transient Assembly/Disassembly of DNA Microdroplet Coacervates
Authors: Qin Yunlong , Sohn Yang Sung , Li Xiang , Nechushtai Rachel , Zhang Junji , Tian He , Willner Itamar
Published: October 2024

The assembly of pH‐responsive DNA‐based, phase‐separated microdroplets (MDs) coacervates, consisting of frameworks composed of Y‐shaped nucleic acid modules crosslinked by pH‐responsive strands, is introduced. The phase‐separated MDs reveal dynamic pH‐stimulated switchable or oscillatory transient depletion and reformation. In one system, a photoisomerizable merocyanine/spiropyran photoacid is used for the light‐induced pH switchable modulation of the reaction medium between the values pH=6.0–4.4. The dynamic transient photochemically‐induced switchable depletion/reformation of phase‐separated MDs, follows the rhythm of pH changes in solution. In a second system, the Landolt oscillatory reaction mixture pH 7.5→4.2→7.5 is applied to stimulate the oscillatory depletion/reformation of the MDs. The autonomous dynamic oscillation of the assembly/disassembly of the MDs follows the oscillating pH rhythm of the reaction medium.
Meso/Microporous Single‐Atom Catalysts Featuring Curved Fe−N4 Sites Boost the Oxygen Reduction Reaction Activity
Authors: Yu Ying , Wang Yian , Yang Fei , Feng Dong , Yang Mingyang , Xie Peng‐Fei , Zhu Yuanzhi , Shao Minhua , Mei Yi , Li Jin‐Cheng
Published: October 2024

Zeolitic‐imidazolate frameworks (ZIFs) are among the most efficient precursors for the synthesis of atomically dispersed Fe−N/C materials, which are promising catalysts for enhancing the performance of Zn‐air batteries (ZABs) and proton exchange fuel cells (PEMFCs). However, existing ZIF‐derived Fe−N/C electrocatalysts mostly consist of microporous materials, leading to insufficient mass transport and inadequate battery/cell performance. In this study, we synthesize an atomically dispersed meso/microporous Fe−N/C material with curved Fe−N4 active sites, denoted as FeSA−N/TC, through the pyrolysis of hemin‐modified ZIF films on ZnO nanorods, obtained from the self‐assembly reaction between Zn2+ from ZnO hydrolysis and 2‐methylimidazole. Density functional theory calculations demonstrate that the curved Fe−N4 active sites can weaken the intermediate adsorptions, resulting in lower free energy barriers and enhanced performance during oxygen reduction reaction (ORR). Specifically, FeSA−N/TC exhibits exceptional ORR performance with half‐wave potentials of 0.925 V in alkaline media and 0.825 V in acidic media. When used as the cathodic catalyst in PEMFCs and ZABs, FeSA−N/TC achieves high peak power densities (H2−O2 PEMFC: 1100 mW cm−2; H2−Air PEMFC: 715 mW cm−2; liquid‐state ZAB: 228 mW cm−2; solid‐state ZAB: 112 mW cm−2), demonstrating its feasibility and efficiency in practical applications.
Solvent‐Controlled Separation of Integratively Self‐Sorted Pd2LA2LB2 Coordination Cages
Authors: Ebbert Kristina E. , Sendzik Fabian , Neukirch Laura , Eberlein Lukas , Platzek André , Kibies Patrick , Kast Stefan M. , Clever Guido H.
Published: October 2024

The integrative implementation of multiple different components into metallosupramolecular self‐assemblies requires sophisticated strategies to avoid the formation of statistical mixtures. Previously, the key focus was set on thermodynamically driven reactions of simple homoleptic into complex heteroleptic structures. Using Pd2LA2LB2‐type coordination cages, we herein show that integrative self‐sorting can be reversed by a change of solvent (from DMSO to MeCN) to favor narcissistic re‐segregation into coexisting homoleptic species Pd2LA4 and Pd3LB6. Full separation (“unsorting”) back to a mixture of the homoleptic precursors was finally achieved by selective precipitation of Pd3LB6 with anionic guest G1 from MeCN, keeping pure Pd2LA4 in solution. When a mixture of homoleptic Pd3LB6 and heteroleptic Pd2LA2LB2 is exposed to a combination of two different di‐anions (G1 and G2) in DMSO, selective guest uptake gives rise to two defined coexisting host–guest complexes. A joint experimental and deep theoretical investigation via liquid‐state integral equation theory of the reaction thermodynamics on a molecular level accompanied by solvent distribution analysis hints at solvent expulsion from Pd2LA4 to favor the formation of Pd2LA2LB2 in DMSO as the key entropic factor for determining the solvent‐specific modulation of the cage conversion equilibrium.
Supramolecular Reconstruction of Self‐Assembling Photosensitizers for Enhanced Photocatalytic Hydrogen Evolution
Authors: Bu Seok Hyeong , Cho Wansu , Ham Gayoung , Yang Beomjoo , Jung Jongwon , Cha Hyojung , Park Chiyoung
Published: October 2024

Natural photosynthetic systems require spatiotemporal organization to optimize photosensitized reactions and maintain overall efficiency, involving the hierarchical self‐assembly of photosynthetic components and their stabilization through synergistic interactions. However, replicating this level of organization is challenging due to the difficulty in efficiently communicating supramolecular nano‐assemblies with nanoparticles or biological architectures, owing to their dynamic instability. Herein, we demonstrate that the supramolecular reconstruction of self‐assembled amphiphilic rhodamine B nanospheres (RN) through treatment with metal‐phenolic coordination complexes results in the formation of a stable hybrid structure. This reconstructed structure enhances electron transfer efficiency, leading to improved photocatalytic performance. Due to the photoluminescence quenching property of RN and its electronic synergy with tannic acid (T) and zirconium (Z), the supramolecular complexes of hybrid nanospheres (RNTxZy) with Pt nanoparticles or a biological workhorse, Shewanella oneidensis MR‐1, showed marked improvement in photocatalytic hydrogen production. The supramolecular hybrid particles with a metal‐phenolic coordination layer showed 5.6‐ and 4.0‐fold increases, respectively, in the productivities of hydrogen evolution catalyzed by Pt (Pt/RNTxZy) and MR‐1 (M/RNTxZy), respectively. These results highlight the potential for further advancements in the structural and photochemical control of supramolecular nanomaterials for energy harvesting and bio‐hybrid systems.
Bifunctional Metal–Organic Framework Synergistically Enhances Radiotherapy and Activates STING for Potent Cancer Radio‐Immunotherapy
Authors: Wang Chaoyu , Li Jinhong , Jiang Xiaomin , Ma Xin , Zhen Wenyao , Tillman Langston , Weichselbaum Ralph R. , Lin Wenbin
Published: October 2024

The activation of the stimulator of interferon genes (STING) protein by cyclic dinucleotide metabolites plays a critical role in antitumor immunity. However, synthetic STING agonists like 4‐(5,6‐dimethoxybenzo[b]thiophen‐2‐yl)‐4‐oxobutanoic acid (MSA‐2) exhibit suboptimal pharmacokinetics and fail to sustain STING activation in tumors for effective antitumor responses. Here, we report the design of MOF/MSA‐2, a bifunctional MSA‐2 conjugated nanoscale metal–organic framework (MOF) based on Hf6 secondary building units (SBUs) and hexakis(4′‐carboxy[1,1′‐biphenyl]‐4‐yl)benzene bridging ligands, for potent cancer radio‐immunotherapy. By leveraging the high‐Z properties of the Hf6 SBUs, the MOF enhances the therapeutic effect of X‐ray radiation and elicits potent immune stimulation in the tumor microenvironment. MOF/MSA‐2 further enhances radiotherapeutic effects of X‐rays by enabling sustained STING activation and promoting the infiltration and activation of immune cells in the tumors. MOF/MSA‐2 plus low‐dose X‐ray irradiation elicits strong STING activation and potent tumor regression, and when combined with an immune checkpoint inhibitor, effectively suppresses both primary and distant tumors through systemic immune activation.
Building Asymmetric Zn−N3 Bridge between 2D Photocatalyst and Co‐catalyst for Directed Charge Transfer toward Efficient H2O2 Synthesis
Authors: Wang Weikang , Liu Rong , Zhang Jianjun , Kong Tingting , Wang Lele , Yu Xiaohui , Ji Xiaomin , Liu Qinqin , Long Ran , Lu Zhou , Xiong Yujie
Published: October 2024

Two‐dimensional (2D) polymeric semiconductors are a class of promising photocatalysts; however, it remains challenging to facilitate their interlayer charge transfer for suppressed in‐plane charge recombination and thus improved quantum efficiency. Although some strategies, such as π–π stacking and van der Waals interaction, have been developed so far, directed interlayer charge transfer still cannot be achieved. Herein, we report a strategy of forming asymmetric Zn−N3 units that can bridge nitrogen (N)‐doped carbon layers with polymeric carbon nitride nanosheets (C3N4−Zn−N(C)) to address this challenge. The symmetry‐breaking Zn−N3 moiety, which has an asymmetric local charge distribution, enables directed interfacial charge transfer between the C3N4 photocatalyst and the N‐doped carbon co‐catalyst. As evidenced by femtosecond transient absorption spectroscopy, charge separation can be significantly enhanced by the interfacial asymmetric Zn−N3 bonding bridges. As a result, the designed C3N4−Zn−N(C) catalyst exhibits dramatically enhanced H2O2 photosynthesis activity, outperforming most of the reported C3N4‐based catalysts. This work highlights the importance of tailoring interfacial chemical bonding channels in polymeric photocatalysts at the molecular level to achieve effective spatial charge separation.
Long‐Lifespan 522 Wh kg−1 Lithium Metal Pouch Cell Enabled by Compound Additives Engineering
Authors: Tang Tingxuan , Sun Chuang , Li Yong , Tong Minman , Lu Jun , Lai Chao
Published: October 2024

Matching high‐voltage cathodes with lithium metal anodes represents the most viable technological approach for developing secondary batteries with ultra‐high energy density exceeding 500 Wh kg−1. Nevertheless, the instability of electrolyte/electrode interface film and commercial electrolytes with cut‐off voltage above 4.3 V is still a major concern. Herein, we present that excellent cycling stability with an ultra‐high cut‐off voltage of up to 5.0 V can be obtained by using three‐component additives containing fluoroethylene carbonate (FEC), hexadecyl trimethylammonium chloride (CTAC), and tri(pentafluorophenyl)borane (TPFPB). Excellent ionic conductivity, robust interfacial films on both electrodes, and long‐lasting uniform Li+ regulation ability can be obtained in the modifying electrolyte. Consequently, using a high plating/stripping capacity of 3 mAh cm−2 under the current density of 1 mA cm−2, lithium symmetric cells demonstrate stable cycling performance exceeding 800 hours. Meanwhile, the 7.3 Ah‐class Li[NixCoyMn1‐x‐y]O2 (x=0.83, NCM83)|Li pouch cells are assembled, which show a high energy density of 522 Wh kg−1 and present excellent stability over 178 cycles with a high initial coulombic efficiency (CE) of 98.0 %.
Crystallization‐Induced Dimerization and Solution‐Phase Bond Dissociation of Stable Dibenzoolympicenyl Radicals
Authors: Zhang Xin , He Huijie , Ge Chang , Xiang Qin , Sato Sota , Lv Menglan , Chen Xing , Sun Zhe
Published: October 2024

Crystallization of organic materials can lead to different assembly structure with different reactivity, but this phenomenon is rarely observed for delocalized hydrocarbon radicals. This report introduces a crystallization‐induced radical–radical coupling reaction, which employs a series of stable nonplanar organic π‐radicals as reactants. Six stable radical congeners are synthesized, resulting in radical–radical coupling at the allenyl radical site during crystallization to produce close‐shell dimers. This coupling reaction is absent in the solution phase, which highlights the importance of preorganization in the lattice. Remarkably, the attempts of cocrystallization of different congeners yielded homocoupling products instead of cross‐coupling products. In specific cases, two distinct polymorphs are observed and their reactivity is different according to the distance of the reaction sites. Theoretical calculations indicate that the transition from a metastable preorganized monomer to a dimer is barrierless and spontaneous. The dimer could regenerate free radicals by heating or photoirradiation in the solution phase. This discovery may lead to controllable molecular switches.
Determining the Absolute Configuration of Small Molecules by Diffusion NMR Experiments
Authors: Cabral Tadeu Luiz Gomes , Poggetto Guilherme Dal , Brussolo da Silva João Pedro , Nilsson Mathias , Tormena Claudio F.
Published: October 2024

Enantiomers are ubiquitous in many areas of science, such as pharmaceuticals, agriculture, and food. Nuclear magnetic resonance (NMR) alone is not able to differentiate enantiomers as their spectra are identical. However, these can be distinguished using chiral auxiliaries (such as chiral complexing agents) that form diastereomeric complexes, but absolute identification is still troublesome, usually requiring a chemical reaction with a chiral derivatizing agent. Here, we propose a new method that uses a hybrid mixture of solvating agents in a simple comparison of diffusion NMR experiments, which can discriminate enantiomers in both frequency and diffusion domains, dubbed CHIMERA (CHIral Micelle Enantiomer Resolving Agent). The new method was assessed for twenty‐three small chiral molecules using a combination of BINOL and (−)‐DMEB, a chiral surfactant, and initial results indicate that absolute configuration can be obtained from a simple experiment.
Unveiling the NLO Potential of New Zn (II) Complex of 6‐Methylpyridine‐2‐Carboxaldehyde: Experimental/DFT Study on Spectral, Static, and Frequency‐Dependent Linear/Nonlinear Optical Parameters
Authors: Şimşek Merve , Avcı Davut , Sönmez Fatih , Başoğlu Adil , Tamer Ömer , Atalay Yusuf
Published: October 2024

Ongoing exploration focuses on synthesizing and characterizing coordination compounds to improve the design of nonlinear optical (NLO)‐based materials. In this regard, to examine spectral and static/frequency–dependent linear/NLO parameters, the new Zn (II) complex {[Zn(6‐MePyAld)2(Cl)]; 6‐MePyAld: 6‐methylpyridine‐2‐carboxaldehyde} was synthesized and characterized by using 1H and 13C NMR, mass (LC‐HRMS), powder XRD, and FTIR spectra. The electronic features of synthesized complex were investigated by considering the TD‐CAM‐B3LYP/ and TD‐M06L/6‐311G(d,p)//LanL2DZ levels of time‐dependent density functional theory (TD‐DFT). Moreover, the theoretical linear optical (LO), second‐, and third‐order NLO susceptibility tensors/polarization (χ(1)/P(1), χ(2)/P(2), χ(3)/P(3)) parameters for the Zn (II) complex were computed using the DFT/M06L and DFT/CAM‐B3LYP levels. The external electric field (E), polarization (P), and electric displacement (D) values of the Zn (II) complex were also calculated using the same DFT levels. To investigate microscopic LO (isotropic polarizability <α(0;0)>/<α(−ω;ω)>, and anisotropic polarizability (∆α (0;0)/∆α (−ω;ω)) and second‐/third‐order NLO (<β(0;0,0)>/<β(−ω;ω,0), <β(−2ω;ω,ω)>/<γ(0;0,0,0)>/<γ(−ω;ω,0,0)> and <γ(−2ω;ω,ω,0)>) parameters for the Zn (II) complex, the DFT/M06L and DFT/CAM‐B3LYP levels in the gas phase were used. The ∆α (0;0), ∆α (−ω;ω), <β(0;0,0)>, <β(−ω;ω,0)>, and <β(−2ω;ω,ω)> for Zn (II) complex were computed at 17.288 × 10−24, 21.782 × 10−24, 14.692 × 10−30, 466.80 × 10−30, and 210.79 × 10−30 esu, respectively, by using the DFT/CAM‐B3LYP level. Moreover, the <γ(0;0,0,0)>/<γ(−ω;ω,0,0)> and <γ(−2ω;ω,ω,0)> in the gas phase computed at the DFT/CAM‐B3LYP level for Zn (II) complex were obtained at 129.74 × 10−36, 3997.6 × 10−36, and −886.60 × 10−36 esu, in turn. According to the CAM‐B3LYP level, the <γ(0;0,0,0)> value is 8.65 and 18.53 times higher than the values of para‐nitroaniline (pNA) and urea, respectively. The obtained static/dynamic β and γ values of Zn (II) complex are greater than those of urea and pNA. Zn (II) complex exhibited remarkably microscopic second‐order and particularly third‐order NLO features. It is predicted that our study will shed light on NLO materials that might be used in telecommunication and optoelectronics.
Effect of succinonitrile on the structural, ion conductivity, and dielectric properties of PVDF‐HFP based solid polymer electrolytes
Authors: Rani Iqra , Arwish Sajal , Khan Khizar Hayat , Zamurad Muddassir , Shah Syed Mujtaba , Hussain Hazrat
Published: October 2024

A detailed account of the poly(vinylidene difluoride‐co‐hexafluoropropylene) (PVDF‐HFP)/succinonitrile (SN)/lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) based solid polymer electrolytes (SPEs) of various compositions is reported. SN is incorporated as plasticizer, while LiTFSI is employed as the source of lithium ions. Fourier transfer infrared (FTIR) spectroscopy reveals the formation of polar and electroactive γ crystal phase by PVDF in pristine PVDF‐HFP and the prepared SPE films. FTIR further confirms the interaction between the host polymer and the salt and between the salt and the plasticizer. The interaction between the salt and plasticizer suggests that SN not only offers the plasticization effect but also facilitates salt dissociation. The ion conductivity increases with increasing salt content up to 20 wt% but beyond that concentration a decline in ion conductivity is observed, which could be attributed to the ion pair association or cluster formation due to the excess salt concentration that reduces the availability of free ions and ultimately leads to the reduction in ion conductivity. After including SN in the SPE formulation, electrochemical impedance spectroscopy reveals a substantial increase in room temperature ion conductivity of the SPE from ~1.08 × 10−5 S cm−1 for pristine SPE with 20 wt% salt to ~2.7 × 10−4 S cm−1 for plasticized SPE with 40 wt% SN and 20 wt% salt. This is attributed to the plasticizing effect of SN that enhances ion mobility through the matrix and to the increased charge carrier concentration (SN facilities salt dissociation). The fabricated SPEs exhibit a significant enhancement in ion conductivity with increasing temperature and the maximum ion conductivity of 1.1 × 10−3 S cm−1 is attained at 393 K by plasticized SPE with 40 wt% SN content. The ion conductivity of all the prepared SPEs follows the temperature dependent Arrhenius behavior, suggesting the thermally activated ion hopping mechanism of ionic conduction. Further, the plasticized SPEs display near unity ion transference number indicating the predominance of the ionic mode of conduction. The dielectric and electric modulus analysis reveal a faster relaxation phenomenon and hence higher ion conductivity of the prepared SPEs with increasing salt and plasticizer content.
Crystallization‐correlated phase separation of polypropylene random copolymers
Authors: Guo Jiajun , Liu Liuxin , Lu Xiaoying , Nie Min , Wu Ying , Wu Jinyu , Gao Yuan
Published: October 2024

Ethylene segments are incorporated into stereoregular propylene‐propylene‐propylene (PPP) homo‐sequences to create locally disordered ethylene‐propylene (EP) segments in polypropylene random copolymer (PPR) through a phase separation process, resulting in large quantities of spherical EP rubbery particles for improving impact toughness. However, the manipulation on size and distribution of these spherical EP rubbery phases remains insufficiently understood. In this study, the phase separation of PPR and the influence of crystallization on phase separation were investigated using rheological measurements and small‐angle x‐ray scattering (SAXS) methods. Combined with the isothermal crystallization method, phase separation was differentiated by the crystallization rate. The molecular chain states corresponding to different crystallization conditions were studied to interpret the varying rubbery particle sizes resulting from phase separation. The results showed that phase separation of EP segments from PPP is highly related to crystallization. Isothermal crystallization at temperatures ranging from 110 to 130°C leads to a high degree of phase separation due to the fast crystallization rate, as evidenced by the presence of small quantities of large pores in microscopic observations. This work provides insights into the phase separation of random copolymers and establishes correlations for manipulating the low‐temperature toughness of PPR.
Post‐Functionalization of Fluorinated Dibenzosulfone‐Based Conjugated Polymer for Smart ‘Turn‐off’ Sensing of Cu2+ Ions
Authors: Maity Krishnendu , Sau Soumitra , Samanta Suman Kalyan
Published: October 2024

Post‐functionalization of conjugated polymeric backbone with various N‐containing heterocycles through nucleophilic aromatic substitution reaction (SNAr) demonstrates crucial tailoring of their photophysical properties. This study explores an approach of post‐polymerization modification of a fluorinated dibenzosulfone‐based conjugated polymer aiming to incorporate functional groups having coordinating sites to bind metal ions. The resulting polymers, namely BDT‐DBTS‐IM, BDT‐DBTS‐TR, and BDT‐DBTS‐PY revealed successful substitution reactions with imidazole, triazole, and pyridine respectively, and showed significant changes in their absorption and emission properties. Notably, BDT‐DBTS‐IM demonstrated exceptional performance as a chemosensor, exhibiting a dramatic fluorescence turn‐off response specifically to copper ions (Cu2+) with the limit of detection of 26 nM and Stern‐Volmer quenching constant (KSV) of 8.2×105 Lmol−1. This high selectivity and sensitivity are attributed to the ability of the imidazole group to form a stable complex with Cu2+, resulting in both static and dynamic quenching efficiently. Our findings underscore the potential of post‐polymerization modifications to significantly enhance the functionality of conjugated polymers. The ability of BDT‐DBTS‐IM to detect trace levels of copper ions with high precision highlights its practical utility in environmental and biological monitoring. This research not only demonstrates an approach for post‐polymeric modification through SNAr reaction but also opens new avenues for developing sensors.
Enhancement of Growth and Lipid Production in Microalgae Using Aggregation‐Induced Emission Based Luminescent Material for Sustainable Food and Fuel
Authors: Ferdewsi Rakhi Sharmin , Mohammad Mohsinul Reza Abdul Hakim , Wang Jianzhong , Tang Youhong , Qin Jianguang
Published: October 2024

Aggregation‐Induced Emission (AIE) based nanomaterials are progressively gaining momentum owing to their evolvement into an interdisciplinary field ranging from biomass and biomolecule yield to image‐guided photodynamic therapy. This study focuses on a novel strategy to enhance growth, lipid accumulation, and in vivo fluorescence visualisation in green microalgae Chlamydomonas reinhardtii using AIE nanoparticles to quantify radical changes. The absorption of AIE photosensitiser (PS), TTMN (C26H17N3S[M]+) was recorded from 420 to 570 nm with a peak at 500 nm, and the emission ranged from 550 to 800 nm with a peak at 650 nm. As a reactive oxygen species (ROS) molecule, H2O2 generation of TTMN in C. reinhardtii cells was detected with AIE nanoprobes TPE‐BO (C38H42B2O4). H2O2 accumulation increased with the increase of TTMN concentrations. The maximum growth (2.1×107 cell/mL) was observed at 10 μM TTMN‐exposed C. reinhardtii cells. Significant lipid accumulation was found in both 10 and 15 μM TTMN‐treated cells. For lipid visualisation, an AIE nanoprobe, 2‐DPAN (C24H18N2O) was used, and superior fluorescence was determined and compared with the traditional BODIPY dye. Cytotoxicity analysis of 10 μM TTMN on the HaCat cell line with 86.2 % cell viability revealed its high biocompatibility on living cells. This AIE‐based nanotechnology provides a novel approach for microalgae‐derived sustainable biomass and eco‐friendly biofuel production.
Can Residual Inhibition Predict the Success of Sound Enrichment Treatment for Tinnitus?
Authors: Sendesen Eser , Turkyilmaz Didem
Published: October 2024

Objectives

The objective of this study was to investigate whether residual inhibition (RI), which provides information on the relationship between tinnitus and increased spontaneous activity in the auditory system, is a predictor for the success of sound enrichment treatment.

Design

Tinnitus patients were divided into two groups based on whether RI was achieved (RI+) or not (RI−). All participants underwent sound enrichment. Psychosomatic measures (for tinnitus severity, discomfort, attention deficit and sleep difficulties), Tinnitus Handicap Inventory (THI), minimum masking level (MML), and tinnitus loudness level (TLL) results were compared before and at 1, 3, and 6 months after treatment.

Study sample

Sixty‐seven chronic tinnitus patients were divided into two groups based on whether RI was achieved (RI+) or not (RI−). There were 38 patients in the RI+ group and 29 in the RI− group.

Results

There was a statistically significant difference between the groups in psychosomatic measures, THI, MML and TLL scores at the post‐treatment 6 months after treatment (p <.05). There was a statistically significant decrease in psychosomatic measures, THI, MML and TLL scores during the treatment period in the RI+ group, but not in the RI− group.

Conclusion

RI may predict the prognosis of tinnitus treatments used in clinics to reduce the spontaneous firing rate of neurons in the central auditory system, and that RI positivity may be a predictor of treatment success in sound enrichment.
High Somatization Rates, Frequent Spontaneous Recovery, and a Lack of Organic Biomarkers in Post‐Covid‐19 Condition
Authors: Tröscher Anna , Gebetsroither Patrick , Rindler Marc , Böhm Vincent , Dormann Rainer , von Oertzen Tim , Heidbreder Anna , Helbok Raimund , Wagner Judith
Published: October 2024

Introduction

Many patients report neuropsychiatric symptoms after SARS‐CoV‐2 infection. Data on prevalence of post‐COVID‐19 condition (PCC) vary due to the lack of specific diagnostic criteria, the report of unspecific symptoms, and reliable biomarkers.

Methods

PCC patients seen in a neurological outpatient department were followed for up to 18 months. Neurological examination, SARS‐CoV‐2 antibodies, Epstein–Barr virus antibodies, and cortisol levels as possible biomarkers, questionnaires to evaluate neuropsychiatric symptoms and somatization (Patient Health Questionnaires D [PHQ‐D]), cognition deficits (Montreal Cognitive Assessment [MoCA]), sleep disorders (ISS, Epworth Sleepiness Scale [ESS]), and fatigue (FSS) were included.

Results

A total of 175 consecutive patients (78% females, median age 42 years) were seen between May 2021 and February 2023. Fatigue, subjective stress intolerance, and subjective cognitive deficits were the most common symptoms. Specific scores were positive for fatigue, insomnia, and sleepiness and were present in 95%, 62.1%, and 44.0%, respectively. Cognitive deficits were found in 2.3%. Signs of somatization were identified in 61%, who also had an average of two symptoms more than patients without somatization. Overall, 28% had a psychiatric disorder, including depression and anxiety. At the second visit (n = 92), fatigue (67.3%) and insomnia (45.5%) had decreased. At visit three (n = 43), symptom load had decreased in 76.8%; overall, 51.2% of patients were symptom‐free. Biomarker testing did not confirm an anti‐EBV response. SARS‐CoV‐2‐specific immune reactions increased over time, and cortisol levels were within the physiological range.

Conclusion

Despite high initial symptom load, 76.8% improved over time. The prevalence of somatization and psychiatric disorders was high. Our data do not confirm the role of previously suggested biomarkers in PCC patients.
Evaluating the Effects of Different Cognitive Tasks on Autonomic Nervous System Responses: Implementation of a High‐Precision, Low‐Cost Complementary Method
Authors: Ahmadi Nazli Karimi , Ozgur Sezgi Firat , Kiziltan Erhan
Published: October 2024

Introduction

We developed a low‐cost, user‐friendly complementary research tool to evaluate autonomic nervous system (ANS) activity at varying levels of cognitive workload. This was achieved using visual stimuli as cognitive tasks, administered through a specially designed computer‐based test battery.

Methods

To assess sympathetic stress responses, skin conductance response (SCR) was measured, and electrocardiograms (ECG) were recorded to evaluate heart rate variability (HRV), an indicator of cardiac vagal tone. Twenty‐five healthy adults participated in the study. SCR and ECG recordings were made during both tonic and phasic phases using a computer‐based system designed for visual stimuli. Participants performed a button‐pressing task upon seeing the target stimulus, and the relationship between reaction time (RT) and cognitive load was evaluated.

Results

Analysis of the data showed higher skin conductance levels (SCLs) during tasks compared to baseline, indicating successful elicitation of sympathetic responses. RTs differed significantly between simple and cognitive tasks, increasing with mental load. Additionally, significant changes in vagally mediated HRV parameters during tasks compared to baseline highlighted the impact of cognitive load on the parasympathetic branch of the ANS, thereby influencing the brain–heart connection.

Conclusion

Our findings indicate that the developed research tool can successfully induce cognitive load, significantly affecting SCL, RTs, and HRV. This validates the tool's effectiveness in evaluating ANS responses to cognitive tasks.
Navigating disturbances in developing countries: Resilience strategies for cross‐sector partnerships
Authors: Oukes Tamara , Beninger Stefanie , Derks Milou , Nijhof André
Published: October 2024

The world faces significant challenges, particularly in low‐income countries, where cross‐sector partnerships strive to create positive social change. Operating under severe uncertainty, these partnerships encounter various disturbances threatening their progress. Despite these challenges, our study explores the resilience strategies that these partnerships use to foster positive social change, an area previously underexplored. Our study uses a qualitative multiple‐case study of four cross‐sector partnerships in sub‐Saharan Africa. Specifically, we collected data via interviews, workshops, and archival sources and used thematic analysis to uncover key resilience strategies. Our findings reveal a cyclical process where, when facing disturbances, cross‐sector partnerships respond with resilience strategies that help them mitigate disruptions, adapt to changing conditions, and continue expanding their positive impact. In doing so, they drive positive social change through core activities within their socio‐ecological system. This research expands existing theories of organizational resilience by highlighting how cross‐sector partnerships in low‐income contexts can not only survive, but also expand their impact of positive social change, through resilience.
ISO 14001 and corporate financial performance: A Systematic Literature Review
Authors: Benzidia Smaïl , Rahoui Siham , Ouiakoub Mohamed , Rostan Louise
Published: October 2024

The impact of the certification on financial performance is still a debated issue. While a number of research studies have highlighted the importance of the environmental management system in achieving environmental performance, there is a theoretical gap concerning the way in which the environmental management system affects the financial performance of companies. This paper aims to fill the identified gap on how ISO 14001 adoption affects companies' financial performance, and the moderating factors likely to influence this link. To address the research question, a systematic literature review was carried out over the last decade of the main studies on this issue published in peer‐reviewed journals between 2004 and 2024. The analysis of the 57 articles in our sample provides a comprehensive picture of the impact of ISO 14001 on financial performance. The results of this research highlight the factors that influence the relationship between financial performance and ISO 14001 certification and suggest that endogenous and exogenous factors should be taken into account in order to understand this complex link.
Symptom Network Analysis and Unsupervised Clustering of Oncology Patients Identifies Drivers of Symptom Burden and Patient Subgroups With Distinct Symptom Patterns
Authors: Bergsneider Brandon H. , Armstrong Terri S. , Conley Yvette P. , Cooper Bruce , Hammer Marilyn , Levine Jon D. , Paul Steven , Miaskowski Christine , Celiku Orieta
Published: October 2024

Background

Interindividual variability in oncology patients' symptom experiences poses significant challenges in prioritizing symptoms for targeted intervention(s). In this study, computational approaches were used to unbiasedly characterize the heterogeneity of the symptom experience of oncology patients to elucidate symptom patterns and drivers of symptom burden.

Methods

Severity ratings for 32 symptoms on the Memorial Symptom Assessment Scale from 3088 oncology patients were analyzed. Gaussian Graphical Model symptom networks were constructed for the entire cohort and patient subgroups identified through unsupervised clustering of symptom co‐severity patterns. Network characteristics were analyzed and compared using permutation‐based statistical tests. Differences in demographic and clinical characteristics between subgroups were assessed using multinomial logistic regression.

Results

Network analysis of the entire cohort revealed three symptom clusters: constitutional, gastrointestinal‐epithelial, and psychological. Lack of energy was identified as central to the network which suggests that it plays a pivotal role in patients' overall symptom experience. Unsupervised clustering of patients based on shared symptom co‐severity patterns identified six patient subgroups with distinct symptom patterns and demographic and clinical characteristics. The centrality of individual symptoms across the subgroup networks differed which suggests that different symptoms need to be prioritized for treatment within each subgroup. Age, treatment status, and performance status were the strongest determinants of subgroup membership.

Conclusions

Computational approaches that combine unbiased stratification of patients and in‐depth modeling of symptom relationships can capture the heterogeneity in patients' symptom experiences. When validated, the core symptoms for each of the subgroups and the associated clinical determinants may inform precision‐based symptom management.
N‐Acetyl‐L‐Cysteine (NAC) Blunts Axitinib‐Related Adverse Effects in Preclinical Models of Glioblastoma
Authors: Formato Alessia , Salbini Maria , Orecchini Elisa , Pellegrini Manuela , Buccarelli Mariachiara , Vitiani Lucia Ricci , Giannetti Stefano , Pallini Roberto , D'Alessandris Quintino Giorgio , Lauretti Liverana , Martini Maurizio , De Falco Valentina , Levi Andrea , Falchetti Maria Laura , Mongiardi Maria Patrizia
Published: October 2024

Objective

Axitinib is a tyrosine kinase inhibitor characterized by a strong affinity for Vascular Endothelial Growth Factor Receptors (VEGFRs). It was approved in 2012 by Food and Drug Administration and European Medicines Agency as a second line treatment for advanced renal cell carcinoma and is currently under evaluation in clinical trial for the treatment of other cancers. Glioblastoma IDH‐wild type (GBM) is a highly malignant brain tumor characterized by diffusely infiltrative growth pattern and by a prominent neo‐angiogenesis. In GBM, axitinib has demonstrated a limited effectiveness as a monotherapy, while it was recently shown to significantly improve its efficacy in combination treatments. In preclinical models, axitinib has been reported to trigger cellular senescence both in tumor as well as in normal cells, through a mechanism involving intracellular reactive oxygen species (ROS) accumulation and activation of Ataxia Telangiectasia Mutated kinase (ATM). Limiting axitinib‐dependent ROS increase by antioxidants prevents senescence specifically in normal cells, without affecting tumor cells.

Methods

We used brain tumor xenografts obtained by engrafting Glioma Stem Cells (GSCs) into the brain of immunocompromised mice, to investigate the hypothesis that the antioxidant molecule N‐Acetyl‐L‐Cysteine (NAC) might be used to reduce senescence‐associated adverse effects of axitinib treatment without altering its anti‐tumor activity.

Results

We demonstrate that the use of the antioxidant molecule N‐Acetyl‐Cysteine (NAC) in combination with axitinib stabilizes tumor microvessels in GBM tumor orthotopic xenografts, eventually resulting in vessel normalization, and protects liver vasculature from axitinib‐dependent toxicity.

Conclusion

Overall, we found that NAC co‐treatment allows vessel normalization in brain tumor vessels and exerts a protective effect on liver vasculature, therefore minimizing axitinib‐dependent toxicity.
Renal Protection of HWL‐088and ZLY‐032, Two Dual GPR40/PPARδ Agonists, in Adenine‐Induced Renal Fibrosis Model
Authors: Geng Xinqian , Huang Wanqiu , Deng Liming , Xiong Yuxin , Zhao Yunli , Yao Huixin , Zhou Zongtao , Xu Bo , Xu Fan , Wang Feiying , Wang Xiaoling , Li Yiping , Tao Wenyu , Li Zheng , Yang Ying
Published: October 2024

This research examined the potential of novel GPR40/PPARδ dual agonists, HWL‐088 and ZLY‐032, to protect the kidneys in a mouse model of adenine‐induced renal fibrosis. Mice were given a diet containing 0.25 % adenine to develop renal fibrosis and then received different dosages of HWL‐088 or ZLY‐032. After being euthanized, tissue and serum samples were collected for morphological, histological, and molecular examination. Compared to the control group, mice fed adenine showed an increase in kidney‐to‐body weight ratio, serum creatinine, and urea levels. Hematoxylin and eosin staining revealed alleviated glomerulosclerosis, tubular dilation, and inflammatory cell infiltration in mice treated with HWL‐088 or ZLY‐032. Furthermore, Masson staining and immunohistochemistry demonstrated that these dual agonists protected against renal interstitial fibrosis and inflammation, corroborated by decreased expression levels of fibrosis‐related proteins (TGF‐β, Collα1, TIMP‐1) and pro‐inflammatory cytokines (TNF‐α, IL‐1β, IL‐6). Accordingly, it can be inferred that GPR40/PPARδ dual agonists HWL‐088 and ZLY‐032 could yield significant renoprotective effects by inhibiting inflammation and fibrosis. Overall, these results may contribute to the development of novel therapeutic strategies for renal fibrosis.