bluuebunny/crossref_metadata_2025 huggingface dataset:
Flexible, Multifunctional, and Durable MXene/CeO2/Cellulose Nanofibers for Efficient Energy Conversion‐Storage Capacity Toward Self‐Powered Monitoring of Ammonia
Authors: Sardana Sagar , Mahajan Parika , Mishra Ambuj , Chawla Amit Kumar , Mahajan Aman
Published: October 2024

The appeal of wearable gas sensors for Internet of Things (IoTs) necessitates flexible sensory units along with sustainable source of energy supply. The key factors required for emergence of these devices are choice of electroactive materials, flexibility, skin‐compatibility, and robustness against harsh environment. Considering this, the multifunctional MXene/CeO2 composites reinforced with electrospun cellulose nanofibers are constructed and investigated for energy conversion, energy storage, and gas sensing applications. Among the synthesized composites, MXene/CeO2 (10 wt%) coated onto cellulose nanofibers outperformed triboelectric nanogenerator (TENG) with open‐circuit voltage of 160 V and supercapacitor (SC) specific capacitance of 388.98 F g−1 and sensing response of 212% toward 10 ppm NH3. The fabricated devices show promising outlooks against practical challenges of influence of humid conditions and different bending states. Lastly, the self‐chargeable device is integrated and the practical implications of charging of SC through TENG and its utilization in sensor powering is demonstrated. The above findings are expected to contribute significantly in envisioning development of wearable health monitors, combining the flexibility features and facilitating autonomous measurements of NH3 pollutant and biomarker.
Decoding Silent Speech Cues From Muscular Biopotential Signals for Efficient Human‐Robot Collaborations
Authors: Dong Penghao , Tian Sibo , Chen Si , Li Yizong , Li Su , Zheng Minghui , Yao Shanshan
Published: October 2024

Silent speech interfaces offer an alternative and efficient communication modality for individuals with voice disorders and when the vocalized speech communication is compromised by noisy environments. Despite the recent progress in developing silent speech interfaces, these systems face several challenges that prevent their wide acceptance, such as bulkiness, obtrusiveness, and immobility. Herein, the material optimization, structural design, deep learning algorithm, and system integration of mechanically and visually unobtrusive silent speech interfaces are presented that can realize both speaker identification and speech content identification. Conformal, transparent, and self‐adhesive electromyography electrode arrays are designed for capturing speech‐relevant muscle activities. Temporal convolutional networks are employed for recognizing speakers and converting sensing signals into spoken content. The resulting silent speech interfaces achieve a 97.5% speaker classification accuracy and 91.5% keyword classification accuracy using four electrodes. The speech interface is further integrated with an optical hand‐tracking system and a robotic manipulator for human‐robot collaboration in both assembly and disassembly processes. The integrated system achieves the control of the robot manipulator by silent speech and facilitates the hand‐over process by hand motion trajectory detection. The developed framework enables natural robot control in noisy environments and lays the ground for collaborative human‐robot tasks involving multiple human operators.
Ampere‐Hour‐Scale Aqueous Nickel–Organic Batteries based on Phenazine Anode
Authors: Liu Xiaomeng , Ni Youxuan , Yang Zhuo , Lu Yong , Xie Weiwei , Yan Zhenhua , Chen Jun
Published: October 2024

Aqueous nickel‐based batteries, particularly nickel‐organic batteries, are promising candidates for large‐scale energy storage applications owing to their environmental friendliness, abundant resources, and intrinsic safety. However, organic anode materials suffer from serious dissolution in electrolytes during discharge/charge processes and ampere‐hour‐scale nickel‐organic batteries are still absent. Here, phenazine (PZ) is screened as the anode and utilizes 10 m KOH as the electrolyte to construct ampere‐hour‐scale PZ/Ni(OH)2 batteries to demonstrate the practicability. In situ, UV–vis and molecular dynamics simulations demonstrate the inhibited dissolution of PZ in high‐concentration of 10 m KOH. The PZ anode can provide a high initial specific capacity of 281.6 mAh g−1 at 0.5 C with a Coulombic efficiency of 98.6% and ultralong cycle life with a capacity retention of 74.3% after 14 000 cycles at 30 C. Moreover, the fabricated pouch‐type PZ/Ni(OH)2 battery with a high PZ mass‐loading of 48 mg cm−2 delivers a capacity of 1.23 Ah and achieves a high energy density of 50 Wh kg−1 (based on the total mass of the cell). The abundant resources, excellent stability, and cost‐effectiveness of phenazine endow nickel‐organic batteries with promising potential for large‐scale energy storage applications.
Fluorescence imaging‐guided lipid droplets‐localized photodynamic therapy
Authors: Wang Shan , Wang Qiang , Lv Yang , Liu Zhe , Lee Kippeum , Kim Dongeun , Won Miae , Shen Jianliang , Kim Jong Seung
Published: October 2024

Photodynamic therapy (PDT) has emerged as a promising strategy for cancer treatment due to its non‐invasive nature and high specificity toward malignant tissues. In recent years, a variety of protocols have been proposed to improve the PDT efficacy, of which organelle‐targeted PDT strategy is supposed to be quite promising. Particularly, lipid droplets (LDs)‐localized PDT attracts a lot of interest due to the inherent advantages such as abundant LDs in cancer cells and their close relation with ferroptosis. This review provides a comprehensive summary of the advancements of LDs‐localized photosensitizers (PSs) according to their chemical structures and functions. Especially, these PSs are featured with fluorescence emission, thereby facilitating an imaging‐guided phototherapy. The review highlights the cytocidal actions of these PSs, such as the cell death pathway and their cytotoxicity. Finally, some unresolved issues and challenges in this domain will be discussed.
Costs and benefits of allomaternal care to mothers and others in wild Phayre's leaf monkeys
Authors: Vee Samantha , Borries Carola , Larney Eileen , Koenig Andreas
Published: October 2024

Objectives

Allomaternal care (AMC) is suggested to be energetically beneficial to mothers and costly to allomothers. However, among primates, AMC is a heterogeneous phenomenon and its implications are less clear especially in female dispersal species. Here, we investigated infant care in a female dispersal species, Phayre's leaf monkeys (Trachypithecus phayrei crepusculus), to evaluate whether mothers were constrained by infant care and benefitted energetically from AMC, whether AMC was energetically costly for allomothers and how maternal experience was associated with AMC.

Materials and Methods

Data were collected via instantaneous focal animal sampling between 2004 and 2005 for juvenile and adult females (N = 18) from two groups at the Phu Khieo Wildlife Sanctuary, Thailand (440 h). We used generalized linear mixed models to determine how infant care during the first month after birth affected the time mothers and allomothers spent feeding, socializing, resting, and locomoting and how AMC varied.

Results

In the first month, infants spent 26% of their time with an allomother. We found no differences in mothers' overall activity before versus after birth, although mothers fed significantly more and rested less when without their infant. Allomothers fed and rested less when with an infant. AMC varied between 0.0% and 20.5%, with immature females being most active.

Discussion

Mothers appear to benefit energetically from AMC such that their overall activity after birth remained unchanged. Costs and benefits for allomothers seem to be variable. Some very active immature females may be benefitting from learning‐to‐mother. The overall low cost of AMC may facilitate a reciprocal social network among unrelated females.
Evaluating the updated LATE‐NC staging criteria using data from NACC
Authors: Woodworth Davis C. , Nguyen Katelynn M. , Sordo Lorena , Scambray Kiana A. , Head Elizabeth , Kawas Claudia H. , Corrada María M. , Nelson Peter T. , Sajjadi S. Ahmad
Published: October 2024

INTRODUCTION

Limbic‐predominant age‐related TAR DNA‐binding protein of 43 kDa encephalopathy neuropathologic change (LATE‐NC) staging criteria were updated in 2023. We evaluated this updated staging using National Alzheimer's Coordinating Center data.

METHODS

We examined associations of LATE‐NC stages with cognition and other neuropathologic changes (NCs), and with cognition while accounting for other NCs, using multilevel regression models.

RESULTS

Of 1352 participants, 502 (37%) had LATE‐NC (23% stage 1a, 6% stage 1b, 58% stage 2, 13% stage 3). LATE‐NC stages were associated with cognition, hippocampal sclerosis of aging (HS‐A), Alzheimer's disease NC (ADNC), Lewy bodies (LBs), and hippocampal atrophy. While stage 1b was associated with cognition and HS‐A consistent with other stages, it was not associated with ADNC or LBs. All LATE‐NC stages remained significantly associated with worse cognition when accounting for other NCs.

DISCUSSION

The updated LATE‐NC staging criteria capture variations in early TDP‐43 pathology spread which are consequential for cognition and associations with other NCs.

Highlights

We applied the updated limbic‐predominant age‐related TAR DNA‐binding protein of 43 kDa encephalopathy neuropathologic change (LATE‐NC) staging criteria to data from the National Alzheimer's Coordinating Center.

LATE‐NC stage 1b was identified in 22% of participants with stage 1.

In contrast to other LATE‐NC stages, stage 1b was not associated with Alzheimer's disease neuropathologic change (ADNC) or Lewy bodies.

Stages 1a and 1b were significantly associated with dementia and memory impairment.

Stages 1b+ were more strongly tied to dementia than all other neuropathologic changes except high likelihood ADNC.
Modified streptozotocin‐induced diabetic model in rodents
Authors: Lennikov Anton , ElZaridi Farris , Yang Menglu
Published: October 2024

Streptozotocin (STZ)‐induced type I diabetes mellitus (DM) models have been pivotal in diabetes research due to their ability to mimic the insulin‐dependent hyperglycemia akin to human type I diabetes. However, these models often suffer from poor induction rates and low survival post‐STZ induction, especially in long‐term experiments, necessitating insulin supplementation, which introduces additional variables to experiments. To address this, we present a novel modification to the STZ‐induced DM model in C57BL/6J mice to improve survival rates without insulin supplementation. Our method involves non‐fasting, low‐dose STZ injections dissolved in pH‐neutral phosphate buffer saline instead of acidic sodium citrate buffer, administered over 5 days. We observed hyperglycemia induction in 94.28% of mice within a week post‐injection, with stable high blood glucose levels, stable body weight, and minimal mortality up to 21 weeks. Notably, omitting 10% sucrose in water and fasting did not affect hyperglycemia induction. Our findings suggest that the modified protocol not only decreases the experimental effort of the researchers, but reduces animal stress and mortality, thus enhancing experimental outcomes and animal welfare. By optimizing the STZ‐induced DM model in C57BL/6J mice, our study provides a valuable resource for researchers aiming to study diabetes and its complications while minimizing experimental variability and animal usage.
A Bis‐Boron Amino Acid for Positron Emission Tomography and Boron Neutron Capture Therapy
Authors: Chen Junyi , Xu Mengxin , Li Zhu , Kong Ziren , Cai Jie , Wang Chunhong , Mu Bo‐Shuai , Cui Xi‐Yang , Zhang Zizhu , Liu Tong , Liu Zhibo
Published: October 2024

Trifluoroborate boronophenylalanine (BBPA) is a boron amino acid analog of 4‐boronophenylalanine (BPA) but with a trifluoroborate group (−BF3−) instead of a carboxyl group (−COOH). Clinical studies have shown that 18F−labeled BBPA ([18F]BBPA) can produce high‐contrast tumor images in positron emission tomography (PET). Beyond PET imaging, BBPA is a theranostic agent for boron neutron capture therapy (BNCT). Because BBPA possesses an identical chemical structure to BNCT and PET, it can potentially predict the boron concentration for BNCT using [18F]BBPA‐PET. The synthesis of BBPA was achieved by selectively fluorinating the α‐aminoborate compound, taking advantage of the varying rates of solvolysis of the B−F bond. The study showcased the high‐contrast [18F]BBPA‐PET imaging in various tumor models, highlighting its broad applicability for both [18F]BBPA‐PET and BBPA‐BNCT. [18F]BBPA‐PET tumor uptake remains consistent across various doses, including those used in BNCT. This enables accurate estimation of the boron concentration in tumors using [18F]BBPA‐PET. With its dual boron structure, BBPA increases boron concentration in tumor cells and tumor tissues compared to BPA. Thus, less boron carrier is needed. This study introduces a new theranostic boron carrier that enhances boron accumulation in tumors, predicts boron concentration, and enhances the accuracy and effectiveness of BNCT.
Single‐Molecule Conductance of Staffanes
Authors: Pimentel Ashley E. , Pham Lan D. , Carta Veronica , Su Timothy A.
Published: October 2024

We report the first conductance measurements of [n]staffane (bicyclopentane) oligomers in single‐molecule junctions. Our studies reveal two quantum transport characteristics unique to staffanes that emerge from their strained bicyclic structure. First, though staffanes are composed of weakly conjugated C−C σ‐bonds, staffanes carry a shallower conductance decay value (β=0.84±0.02 n−1) than alkane chain analogs (β=0.96±0.03 n−1) when measured with the scanning tunneling microscopy break junction (STM‐BJ) technique. Staffanes are thus more conductive than other σ‐bonded organic backbones reported in the literature on a per atom basis. Density functional theory (DFT) calculations suggest staffane backbones are more effective conduits for charge transport because their significant bicyclic ring strain destabilizes the HOMO‐2 energy, aligning it more closely with the Fermi energy of gold electrodes as oligomer order increases. Second, the monostaffane is significantly lower conducting than expected. DFT calculations suggest that short monostaffanes sterically enforce insulating gauche interelectrode orientations over syn orientations; these steric effects are alleviated in longer staffanes. Moreover, we find that [2‐5]staffane wires may accommodate axial mechanical strain by “rod‐bending”. These findings show for the first time how bicyclic ring strain can enhance charge transmission in saturated molecular wires. These studies showcase the STM‐BJ technique as a valuable tool for uncovering the stereoelectronic proclivities of molecules at material interfaces.
One‐Pot Multicomponent Synthesis of Substituted 1,6‐Naphthyridine Derivatives Employing 4‐Aminocumarin
Authors: Ezzatzadeh Elham , Hojjati Mahsa , Parhami Azadeh , Hossaini Zinatossadat
Published: October 2024

This study synthesized 1,6‐naphthyridine as a novel class of fused heterocyclic compounds with high efficiency using a multicomponent reaction. The reaction involved benzaldehyde or its derivatives, 2 mol of malononitrile, and 4‐aminocumarin in an aqueous solution at room temperature in the presence of SiO2/Fe3O4@MWCNTs as a recyclable catalyst. This study examines the antioxidant properties of 1,6‐naphthyridine in addition to the other research undertaken in this work. The production process of 1,6‐naphthyridine demonstrated several advantageous features, including rapid reactions, high yields of the final product, and straightforward separation of the catalyst and product from the reaction mixture.
New Organoruthenium(II) Complexes Containing Andrographolide‐Appended Hydrazide Derivatives: Synthesis, Spectral Characterization, Anticancer Evaluation
Authors: Dhivakar P. , Kalaiarasi G. , Parveen S. , Alyami Nouf M. , Alkhattaf Fatimah S. , Prasad Priya
Published: October 2024

A new set of andrographolide‐appended hydrazide derivatives (AFC, AGC, and ATC) were prepared from the reaction of andrographolide with furan‐2‐carboxylic acid hydrazide (AFC), pyridine‐3‐carboxylic acid hydrazide (AGC), and thiophene 2‐carboxylic acid hydrazide (ATC), and their corresponding ruthenium(II) complexes (Ru‐AFC, Ru‐AGC, and Ru‐ATC) were synthesized by the direct reaction of [RuCl2(η6‐p‐cymene)]2 with ligands in dichloromethane under stirring condition. The compounds were analyzed by elemental analysis, IR, UV‐Vis, 1H NMR, and ESI‐MS spectrometric techniques, and the obtained spectral data revealed that the ligands coordinated to Ru(II) ion through their enone oxygen and amine nitrogen. Antioxidant activities of the ligands and complexes were calculated against DPPH•, ABTS•+, O2−, and NO• free radicals and their results were compared with standard antioxidants. The cytotoxic activity of the synthesized ligands and complexes toward A549 and HeLa cell lines was evaluated using MTT method (MTT = 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide). Among the compounds, the complex Ru‐AGC showed better cytotoxic effect against A549 and HeLa cancer cells with IC50 values of 4.75 ± 0.17 and 6.32 ± 0.26 μM, respectively. Further, the nontoxic nature of the compounds was confirmed by using human umbilical vein endothelial (HUVEC) cells. The apoptosis was inspected with AO/EB and DAPI staining methods; further, the percentages of the apoptotic and necrotic cells were determined by flow cytometry. Overall, the biological activities of our ruthenium(II)‐arene complexes were found to be more potent than their parent ligands due to chelation, and among the complexes, Ru‐AGC showed better activity due to the presence of pyridine ring in the N‐terminal position of the ligand. The obtained results highlighted the strong possibility to develop highly active ruthenium complexes as anticancer agents.
Catalyst‐free epoxy resins with high‐performance and excellent healing efficiency via interpenetrating networks
Authors: Li Chenxin , Huang Zhengyong , Yang Senyuan , Zhang Yingfan , Wang Chaofan , Li Jian
Published: October 2024

The difficult recycling and degradation in cured epoxy resins can be solved by introducing dynamic covalent bonds. However, the introduction of dynamic bonds degrades the properties of epoxy resins. In this paper, the dual‐cured epoxy resin with high mechanical properties and high healing efficiency were obtained by constructing interpenetrating networks (IPNs). The effect of IPNs on the recyclability of epoxy resins was investigated. The performance is as follows, the flexural and tensile strengths is 89 and 54.2 MPa, respectively, and the breakdown strength is 32.5 kV/mm. In addition, the recyclability and high healing efficiency of the dual‐cured epoxy resin were verified, and the effect of the hot‐pressing temperature and time on the properties of the recycled samples were investigated. Under certain hot‐pressing conditions, the flexural and tensile strengths of the recycled samples were recovered to 95.06% and 85.28%, respectively, and the breakdown strength was recovered to 83.6%.
Cryptic Diversity of Mediterranean Neogoniolithon (Corallinales, Corallinophycidae, Rhodophyta)
Authors: Ramos Dino Angelo E. , Del Río Jesús , Peñas Julio , Peña Viviana , Braga Juan C.
Published: October 2024

Neogoniolithon is a widespread genus of non‐geniculate coralline algae in the Mediterranean Sea. Three vaguely differentiated species have been reported in the region. This study examined the diversity of Neogoniolithon in the Mediterranean by inferring phylogenies using psbA and COI‐5P markers, applying delimitation algorithms and comparing morpho‐anatomies of putative species. In contrast to previous reports, 13 species were delimited from the Mediterranean in two distant clades. Initial observations suggested that tetrasporangial conceptacle size might be used to separate the two clades. Only three species showed fruticose morphologies. Further morpho‐anatomical differentiation was difficult. One species included Mediterranean, Pacific and Atlantic samples, while three other species occurred in the Mediterranean and the Canary Islands. The global tree revealed that most species were geographically restricted. Crypticity in multiple lineages implied a much higher diversity than currently reported, even lacking samples from the eastern Mediterranean. Only sequence data can be used to identify these cryptic lineages. High endemism emphasizes the importance of conservation of coralline algal bioconstructions to prevent extinctions. The presence of cryptic diversity also invites a reassessment of the knowledge on species distributions that are important in conservation planning and management.
Not Everyone Likes Manatees: Fishers' Perceptions Unveil Opportunities and Challenges for Manatee Conservation in the Swamp Complex of Ayapel, Colombia
Authors: Ordoñez‐Nieto María Mercedes , Castelblanco‐Martinez Nataly , Jotty‐Arroyo Karick
Published: October 2024

Greater Caribbean manatees Trichechus manatus manatus face complex conservation challenges throughout their distribution range, many of which are associated with human factors; and in consequence, the subspecies is considered Endangered (EN) by the International Union for Conservation of Nature (IUCN). Human‐related threats as hunting for meat consumption, collisions with boats, entanglement in fishing nets, pollution and loss of habitat put the Greater Caribbean manatee at risk in Colombia. Studies aiming to describe traditional knowledge and local perceptions provide information that can be useful to design local manatee conservation programmes. We analyse the fishers' perceptions regarding manatees in Ayapel, Córdoba. One hundred semi‐structured interviews were conducted, focusing on personal data, fishing practices, perceptions and knowledge about the manatees. According to the interviews, bycatch is the greatest threat to manatees (56%), followed by pollution (16%), whereas boat collisions (12%), hunting (11%) and drought (5%) are lower ranking threats. Our results demonstrated that participants have a good understanding of manatee biology and ecology. However, a human–manatee conflict was evidenced, as 39% of fishers consider that manatees negatively impact fishing by competition for the fishing resources and/or by damaging fishing gear. We recommend strengthening awareness about the importance of manatee to guarantee an optimal management of this subspecies and its habitat. Fishers should be directly involved in the formulation of management and conservation plans for the subspecies, as their knowledge becomes critical to understanding and mitigating the risks to manatee populations. This work has a clear application to understand the human factor in manatee recovery not only in our study area but also in other locations where manatees share habitat with people, particularly in marginalized human communities.
Divergent Regioselective Synthesis of Functionalized 1,2,3‐1H‐Triazoles from Nitriles and Arylazides Under Metal‐Free and/or Solvent‐Free Conditions
Authors: Petzold Pauli Fernanda , de Oliveira Lima Filho Edson , de Almeida Ribeiro Oliveira Gerlon , Morais Lião Luciano , Rangel Campos Vinicius , da Silva Magalhães Forezi Luana , Francisco Ferreira Vitor , de Carvalho da Silva Fernando
Published: October 2024

Highly selective and divergent syntheses, which are crucial in both organic synthesis and medicinal chemistry, involve significant advancements in compound accessibility. By modifying α‐cyano esters into α‐cyano ketones, the synthesis pathway broadens to include a diverse range of 4‐CN, 5‐amino, and 5‐arylamino derivatives of 1,2,3‐triazoles, which are achieved notably through the Dimroth rearrangement. This versatility extends further with the potential for a triple cascade reaction, leading to the production of carboximidamide compounds, which are facilitated by the Cornforth rearrangement. Advancements in compound accessibility not only expand the repertoire of synthesized molecules but also open new avenues for potential pharmacological agents.

Building on these findings, we have developed an innovative and efficient method for the divergent synthesis of functionalized 1,2,3‐triazoles. This method strategically utilizes α‐cyanocarbonyls and arylazides by harnessing their reactivity and compatibility to orchestrate a variety of molecular transformations. By optimizing these substrates, our goal is to simplify synthetic routes, improve product yields, and accelerate the discovery and development of new chemical entities with promising biological activities.
Rapid Detection of Explicit Volatile Organic Compounds for Early Diagnosis of Lung Cancer Using MoSi2N4 Monolayer
Authors: Panigrahi Puspamitra , Pal Yash , Pal Kaur Surinder , Vovusha Hakkim , Bae Hyeonhu , Nazir Shahid , Lee Hoonkyung , Panigrahi Akshay , Hussain Tanveer
Published: October 2024

In this study, we investigate the adsorption and sensing capabilities of pristine (MoSi2N4) and nitrogen‐vacancy induced (MoSi2N4−VN) monolayers towards five potential lung cancer volatile organic compounds (VOCs), such as 2,3,4‐trimethylhexane (C9H20), 4‐methyloctane (C9H20), o‐toluidine (C7H9N), Aniline (C6H7N), and Ethylbenzene (C8H10). Spin‐polarized density functional theory (DFT) calculations reveal that MoSi2N4 weakly adsorb the mentioned VOCs, whereas the introduction of nitrogen vacancies significantly enhances the adsorption energies (
), both in gas phase and aqueous medium. The MoSi2N4−VN monolayers exhibit a reduced bandgap and facilitate charge transfer upon VOCs adsorption, resulting in enhanced
values of −0.83, −0.76, −0.49, −0.61, and −0.50 eV for 2,3,4‐trimethylhexane, 4‐methyloctane, o‐toluidine, Aniline, and Ethylbenzene, respectively. Bader charge analysis and spin‐polarized density of states (SPDOS) elucidate the charge redistribution and hybridization between MoSi2N4−VN and the adsorbed VOCs. The work function of MoSi2N4−VN is significantly reduced upon VOCs adsorption due to induced dipole moments, enabling smooth charge transfer and selective VOCs sensing. Notably, MoSi2N4−VN monolayers exhibit sensor responses ranging from 16.2 % to 26.6 % towards the VOCs, with discernible selectivity. Importantly, the recovery times of the VOCs desorption is minimal, reinforcing the suitability of MoSi2N4−VN as a rapid, and reusable biosensor platform for efficient detection of lung cancer biomarkers. Thermodynamic analysis based on Langmuir adsorption model shows improved adsorption and detection capabilities MoSi2N4−VN under diverse operating conditions of temperatures and pressures.
Variation in Valence Intensity Within Frames: Testing Predictions of Prospect Theory and Fuzzy‐Trace Theory
Authors: McElroy Todd
Published: October 2024

Risk and decision‐making are central to human behavior and have been extensively studied across many disciplines. To better understand the factors that influence an individual's risk‐related choices, this paper investigates the influence of frame valence intensity. It does so by comparing predictions from two prominent theories of decision‐making: Prospect theory (PT) and fuzzy‐trace theory (FTT). PT relies on the numerical transformation of subjective value information suggesting that the intensity of the frame should not affect the decision outcome. In contrast, FTT predicts that the level of frame valence should correspond to the intensity of the extracted memory trace and have predictable effects on risky choice. The results demonstrate that risky choice varies across different levels of the frame's valence. For positive frames, increasing valence intensity is associated with decreased risk preference. For negative frames, the relationship is more complex and context‐dependent. These findings extend our understanding of framing effects, suggesting that both the direction and intensity of frame valence influence risk preferences. While broadly aligning with FTT predictions regarding gist extraction, our results also indicate that PT could be extended to account for valence intensity effects, potentially bridging these theoretical perspectives.
Whiteness, redness, blueness and greenness profile assessment and design of experiments approach to microwave‐aided sensitive and green spectrofluorophotometric determination of baclofen
Authors: Prajapati Pintu , Patel Ankita , Surana Vilas , Pulusu Veera Shakar , Haque Anzarul , Kalam Mohd Abul , Shah Shailesh
Published: October 2024

As a gamma amino butyric acid‐ergic agonist, Baclofen is often prescribed to adults and children for the treatment of severe spasticity that originates in the brain or spinal cord. Even after reviewing the literature extensively, no one has documented a method for estimating baclofen using microwave‐assisted stability‐indicating spectrofluorimetric techniques, despite the abundance of options for baclofen stability, assay, and bioanalysis. Organic solvents, which are typically necessary for current procedures but may be costly and toxic, have a severe effect on aquatic life and the environment. Using green solvents and 4‐chloro‐7‐nitrobezofuran as a fluorescent probe, this work conducted a stability‐indicating spectrofluorimetric estimate of baclofen. Through the use of a design‐of‐experiments technique, a reliable microwave‐aided spectrofluorimetric method was developed, with little solvent consumption and time for sample analysis. Prior to conducting response surface analysis and optimizing important variables and responses, a fractional factorial design was used to screen method variables and responses. A central composite design was then employed for these purposes. This flexible spectrofluorimetric technique was used to assess baclofen concentrations in forced degraded samples and marketed formulations. For baclofen determination, the suggested spectrofluorimetric approach was found to be green, quick, easy to use, economical, and user‐friendly.
Synthesis of Luminescent Copper Nanoparticles Using Couroupita guianensis Flower Extract: Evaluation of Antibacterial and Anticancer Activities
Authors: Saritha P. , Arunprakash S. , Srinivasan P. , Selvankumar T. , Aldawood Saad , Kim Woong , Velu Manikandan , Song Kwang Soup
Published: October 2024

The biosynthesis of nanoparticles is a crucial research area aimed at developing innovative, cost‐effective, and eco‐friendly synthesis techniques for various applications. Herein, we synthesized copper oxide nanoparticles (CuNPs) using Couroupita guianensis flower extract via a simple green synthesis method. These green CuNPs demonstrate promising antimicrobial activity and anticancer activity against A549 nonsmall cell lung cancer (NSCLC) cells. We comprehensively characterized the CuNPs using UV spectrum, XRD, FTIR, SEM, and EDS analyses. The antibacterial and anticancerous performance is attributed to their spherical‐like morphology, which enhances effective interaction with bacterial and cancer cells. Moreover, CuNPs proved effective in inactivating Escherichia coli, achieving 2%, 52%, and 99% inactivation at 0, 30, and 60 min, respectively, and Listeria monocytogenes, achieving 1%, 48%, and 98% inactivation at 0, 30, and 60 min, respectively, under visible light. Furthermore, the CuNPs exhibited significant anticancer activity against A549 NSCLC cells, achieving cell viability reductions of 10%, 30%, 50%, 70%, 83%, and 91% at concentrations of 25, 50, 100, 150, 200, and 250 μg/mL, respectively. The green synthesized CuNPs demonstrate their potential in biomedical applications.
Sensitive Detection and Cell Imaging of Ca2+ Based on a “Turn‐On” Schiff Base Fluorescent Probe
Authors: Hou Lingjie , Wang Linlin , Deng Chenhua , Jin Pengyue , Wen Chaochao , Zhang Wenjia , Liang Wenting
Published: October 2024

Ca2+ ion as a second messenger in signaling pathway plays many vital roles in many biological phenomena. Thus, it is of significance for developing effective probes to detect Ca2+ ion specifically. Herein, a new Schiff base fluorescent probe FPH, fluorescein monoaldehyde (2‐aminomethylpyridine) hydrazone, was designed and synthesized to identify Ca2+ in DMSO aqueous solution. The probe FPH revealed significant responses to Ca2+ with a fluorescence enhancement at 540 nm, exhibiting an evident fluorescence change from ultraweak luminescence to bright green. Otherwise, the FPH displayed a good linear range of 0.67 × 10−6 to 3.33 × 10−6 mol/L with a lower detection limit at 7.02 × 10−8 mol/L. The probe FPH were further successfully utilized to detect Ca2+ in living cells by an increased bright green fluorescence.
Organizational sensemaking and environmental performance: A longitudinal study of publicly traded firms' sustainability reports
Authors: Pain Guillaume C. F. , Paquin Raymond L. , Tilleman Suzanne G.
Published: October 2024

Environmental strategy research has often used organizational interpretation as a key lens for understanding how firms engage in sensemaking around natural environmental issues and environmental performance. This work has rarely empirically tested the proposed relationships of organizational interpretation in firms' sensemaking around environmental issues nor the relationship between firms' environmental sensemaking and environmental performance. We empirically test this relationship, capturing environmental sensemaking through computer‐aided text analysis (CATA) of published sustainability reports, and environmental performance with the Trucost environmental dataset. Mixed‐effects general linear modeling on a bespoke longitudinal dataset of 117 publicly traded companies from 2005 to 2018 reveals the three stages of the organization interpretation model of sensemaking—scanning, interpreting, and responding—align as expected. We also find firms' environmental scanning relates with year‐over‐year improvement in environmental performance, yet environmental interpreting correlates with worsening environmental performance. Additionally, larger firms and firms in industries with high carbon emissions gather more environmental data and exhibit more extensive environmental interpreting. This research provides insight for scholars by testing environmental sensemaking and exploring the boundary conditions of sensemaking and performance, and for practitioners and policymakers by offering a new framework for analyzing and interpreting sustainability reports and corporate environmental performance.
Weekly Image Guidance in Patients With Cervical Cancer Treated With Intensity‐Modulated Radiation Therapy: Results of a Large Cohort Study
Authors: Zeng Zheng , Wang Weiping , Yan Junfang , Liu Dingchao , Zhang Fuquan , Hu Ke
Published: October 2024

Background

Image guidance is recommended for patients undergoing intensity‐modulated radiation therapy (IMRT) for cervical cancer. In this study, we evaluated the feasibility of a weekly image guidance pattern and analyzed the long‐term outcomes in a large cohort of patients.

Methods

The study enrolled patients with Stage IB‐IVA cervical cancer who received definitive radiotherapy or concurrent chemoradiotherapy. IMRT was delivered at a dose of 50.4 Gy in 28 fractions, with weekly cone‐beam computed tomography (CBCT). Physicians advised patients on rectum and bladder preparation to help them prepare on nonimaging guidance days. When significant tumor regression was observed, a second computed tomography simulation and replanning were performed.

Results

The median follow‐up periods were 63.4 months. The incidence rates of loco‐regional and distant failure were 9.9% and 13.6%. The 5‐year overall survival (OS), disease‐free survival (DFS), loco‐regional relapse‐free survival (LRFS), and distant metastasis‐free survival (DMFS) rates were 80.1%, 72.9%, 78.3%, and 74.8%, respectively. For patients with different stages, the 5‐year OS, DFS, LRFS, and DMFS rates were statistically significant. For patients with and without positive regional lymph nodes, the 5‐year OS, DFS, LRFS, and DMFS rates were 64.5% and 86.0%, 56.8% and 78.8%, 62.7% and 84.3%, and 58.8% and 81.0%, respectively. Multivariate analysis showed that age, histology, tumor size, cancer stage, pretreatment squamous cell carcinoma antigen level, and para‐aortic metastatic lymph nodes were independent prognostic factors of OS. Fifty‐six (4.0%) patients experienced late Grade 3/4 chronic toxicities.

Conclusions

IMRT with weekly CBCT is an acceptable image guidance strategy in countries with limited medical resources.
Collaboration with clients to create journal notes: A mixed methods evaluation of a pilot intervention study in a municipality mental health services team
Authors: Myklebust Kjellaug K. , Hoemsnes Helene , Kvello Øyvind , Vatnar Solveig Karin Bø
Published: October 2024

Introduction

The purpose of this study was to evaluate an intervention designed to encourage therapists in a municipality mental health services team to collaborate with their clients when writing journal notes. The team was part of a low‐threshold mental health service for children, adolescents and their parents. The therapists offered individual therapeutic sessions with children, adolescents and parents, as well as family sessions. The therapists documented their encounters in the clients' electronic health records.

Methods

The study used a convergent mixed methods design. First, the quality and quantity of documented therapist–client interactions were measured before and after the intervention using the Scale for the Evaluation of Staff‐Patient Interactions in Progress Notes (SESPI). Cross‐tabulation and logistic regression analyses were used to examine potential differences in the recording of therapists' approaches before and after intervention. Second, we explored the therapists' experiences of participating in this project by conducting individual in‐depth interviews. Qualitative interviews were analysed by systematic text condensation. Finally, the quantitative results from assessing the journal notes were contextualised with the qualitative results from the interviews.

Results

The number of journal notes describing therapist approach and client response increased by 25% points after the intervention. In the interviews, the therapists acknowledged the intervention's relevance to their practice. However, they invited only a limited number of clients to co‐create journal notes. The clients welcomed the invitation.

Conclusion

Collaborative documentation challenges established journal documentation practices and may strengthen the client's voice. This study provides suggestions for strengthening the intervention in the future full‐scale studies.
Training outcomes of a social determinants of mental health‐focused fieldwork course
Authors: Gantt‐Howrey Alexandra , Johnson Kaprea F. , Dockery Natese , Brookover Dana L. , Robins Lauren
Published: October 2024

We conducted a concurrent nested mixed‐methods exploration of counselor trainee outcomes of a social determinants of mental health (SDMH)‐focused fieldwork course. Seven trainees completed a pre‐/post‐course SDMH competence scale and nine weekly journal entries. Results of a paired samples t‐test and deductive content analysis suggest increased SDMH competence and efforts to learn about and address clients’ SDMH challenges throughout the semester. Implications for counselor training conclude.
CO2 Dynamics in a Flexible Metal‐Organic Framework with Gate‐Opening Phenomenon
Authors: Xu Jiabin , Zhang Wanli , Liu Jingyan , Zhong Jun , Sham Tsun‐Kong , Huang Yining
Published: October 2024

As a promising porous material for CO2 adsorption and storage, elastic layer‐structured metal‐organic framework‐11 (ELM‐11) has attracted significant attention owing to its distinct gate‐opening phenomenon. There is a sharp increase in CO2 uptake once reaching the gate‐opening threshold pressure. To better understand this gate‐opening mechanism, we investigated its transition process from the perspective of CO2 dynamics and its interaction with the framework via variable‐temperature 13C solid‐state nuclear magnetic resonance spectroscopy. Our findings revealed that during the gate‐opening process, CO2 is initially strongly adsorbed at one site when the gate only slightly opens, while two distinct types of CO2 molecules exist when the gate fully opens. 11B, 13C, and 19F magic‐angle spinning NMR, in conjunction with in‐situ XANES experiments, were also conducted to probe the location of adsorption sites.
The Changing Phases of Bromopentafluorobenzene
Authors: Bear Joseph C. , Cockcroft Jeremy K.
Published: October 2024

As part of a much larger study on non‐covalent interactions in binary adducts, we have explored the solid‐state structures of bromopentafluorobenzene (C6F5Br) using differential scanning calorimetry (DSC), variable‐temperature powder X‐ray diffraction (VT‐PXRD), and single‐crystal X‐ray diffraction (SXD). DSC data initially indicated a single solid‐state phase below the freezing point, but revealed additional weak transitions upon heating. The crystal structures of three solid‐state phases have been solved. The SXD data showed that phases I and IV are centrosymmetric, whilst phase II is polar. However, the structure of phase III remains elusive due to the changing phase behaviour of C6F5Br that is determined as much as by kinetics as thermodynamics. The results underline the need for multiple analytical techniques to study non‐covalent interactions and offer valuable data for refining computational models in crystal structure prediction and machine learning. A comparison with the iodinated counterpart is also made.
Electrochemical Oxidation of UV Filters: A First‐Principles Molecular Dynamics Study
Authors: Álvarez Luis , Frank Irmgard
Published: October 2024

A theoretical model is proposed to study the oxidation mechanisms of the organic UV filters BP3 and BP4 during electrochemical water treatment utilizing Car‐Parrinello molecular dynamics. Factors such as the amount of solvent to be included and how to design the system with the least possible intervention are discussed. The proposed model consist of the optimization of the geometries by density functional theory methods, the equilibration of the structure immersed in a water box, the inclusion of the reactive species, and the analysis of the reaction energies of each reaction pathway. The ab‐initio molecular dynamics simulations lead to several products, and some trends can be identified, in accordance with the well‐known reactivity rules of organic chemistry. The products proposed in this work are intermediates in longer oxidative pathways.
A New Mechanism for Formation of Glycine from Glyoxylic Acid: the Aza‐Cannizzaro Reaction
Authors: Jarois Dean R. , Schimmelpfennig Lars E. , Gellman Samuel H.
Published: October 2024

Glyoxylic acid and glycine are widely considered to have been important prebiotic building blocks. Several mechanistic routes have been previously examined for conversion of glyoxylic acid to glycine. Here we provide evidence for a new mechanistic path. Glycine is spontaneously formed from glyoxylic acid in ammonium‐rich aqueous solutions at neutral pH; oxamic acid is generated as well. Hydride transfer from the glyoxylate‐derived hemiaminal to the corresponding iminium ion appears to underlie this transformation. This proposed mechanism parallels the well‐known Cannizzaro reaction mechanism, which leads us to suggest the designation “aza‐Cannizzaro reaction.” This discovery offers a new perspective on prebiotic nitrogen incorporation because glycine can be a source of nitrogen for more complex molecules, including other α‐amino acids.
Supramolecular Spin Chains via Radical‐Radical Contacts Stabilizing Ferromagnetic Interactions Between Heisenberg or Ising‐Like Spins
Authors: Maahs Adam C. , Borg Genievieve C. , Ghazzali Mohamed , Soldatov Dmitriy V. , Rouzières Mathieu , Clérac Rodolphe , Preuss Kathryn E.
Published: October 2024

A new paramagnetic ligand, 4‐(2′‐4‐(2′′‐furyl)‐pyrimidyl)‐1,2,3,5‐dithiadiazolyl (furylpymDTDA) and three transition metal coordination complexes, M(hfac)2(furylpymDTDA) M=Mn, Co, Ni; hfac=1,1,1,5,5,5‐hexafluoroacetylacetonato−), are reported. The solid‐state structures are influenced by the geometry of the coordination sphere of the M(II) centers: trigonal (Mn) vs. octahedral (Co and Ni). While the hs‐Mn(II) complex exhibits pairwise multi‐centre 2‐electron bonds (i. e., pancake bonds) between the planar π radical DTDA moieties, the hs‐Co(II) and Ni(II) complexes crystallize with close contacts between coordinated furylpymDTDA radical ligands that define linear 1D arrays of molecular units. The magnetic data for the hs‐Co(II) and Ni(II) complexes indicate ferromagnetic (FM) interactions between molecular units, apparently mediated by radical‐radical contacts along the supramolecular chains. Computational analysis suggests proximity between regions of large α‐ and β‐spin density on neighbouring molecular sites enabling FM exchange, in accordance with the McConnell I mechanism. The magnetic data for the Ni(II) complex are consistent with a Heisenberg spin chain, whereas the hs‐Co(II) complex exhibits Ising‐like spin chain behaviour and a magnetic phase transition to an FM ordered state at 4.6 K.
Se‐Doping on Co4S3 Cathode Based on Soft Anion Chemistry to Enhance Magnesium Storage Performance
Authors: Hu Chenkai , Ying Haifeng , Zhang Wenwei , Chao Feiyang , Zhu Dongyao , Zhu Shaohua , An Qinyou
Published: October 2024

Rechargeable magnesium batteries (RMBs) have gradually got attention due to the high theoretical capacity, low cost and high security. However, the lack of suitable cathode materials has been a major obstacle to the development of RMBs. Transition metal sulfides (TMSs) have been studied extensively because of their high theoretical specific capacity and other advantages. However, the diffusion rate of Mg2+ in TMSs is slow and side reactions are easy to occur. In this work, soft anion doping strategy was adopted at Co4S3 cathode material. After doping the appropriate content of Se, it showed the specific capacity of 248 mAh g−1 at a current density of 100 mA g−1. The mechanism of magnesium storage was investigated by ex‐situ technique. This work laid a foundation for researching cobalt‐based sulfide in cathode materials of RMBs.
Prompt and Thermally Activated Delayed Fluorescence of Quinazoline‐Based Derivatives: A Joint Experimental and Theoretical Study
Authors: Hodée Maxime , Moshkina Tatiana N. , Massue Julien , Fihey Arnaud , Roisnel Thierry , Katan Claudine , Nosova Emiliya , Achelle Sylvain
Published: October 2024

During the last decade, thermally activated delayed fluorescence has been the topic of intense research due to its great potential for highly efficient all organic light emitting devices. While the quinazoline heterocycle has been used for its electron withdrawing ability in various push‐pull dyes, quinazoline derivatives have been rarely considered for TADF emitters. Here we design and synthesize a new series of dyes with phenyl‐ or methoxy‐substituted quinazoline rings combined with 9,9‐dimethylacridan, phenoxazine or phenothiazine and either 1,4‐phenylene or 2,5‐thienylene as linker. Combining optical spectroscopy and theoretical investigations, we demonstrate that delayed fluorescence is observed in the solid state for the phenyl‐substituted quinazoline derivatives for which both quasi‐equatorial and quasi‐axial conformations are predicted to coexist. Calculations further suggest that the reversed intersystem crossing is likely to involve the second triplet state that shows small energy splitting with the first singlet state. These results prompt further investigations of phenyl‐substituted quinazoline based dyes for TADF.