bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Vibrations in Chiral Europium Complexes Revealed by Near‐Infrared Raman Optical Activity
Authors: Wu Tao , Bouř Petr , Fujisawa Tomotsumi , Unno Masashi 
Published: November 2023

AbstractRaman optical activity (ROA) is commonly measured with green light (532 nm) excitation. At this wavelength, however, Raman scattering of europium complexes is masked by circularly polarized luminescence (CPL). This can be avoided using near‐infrared (near‐IR, 785 nm) laser excitation, as demonstrated here by Raman and ROA spectra of three chiral europium complexes derived from camphor. Since luminescence is strongly suppressed, many vibrational bands can be detected. They carry a wealth of structural information about the ligand and the metal core, and can be interpreted based on density functional theory (DFT) simulations of the spectra. For example, jointly with ROA experimental data, the simulations make it possible to determine absolute configuration of chiral lanthanide compounds in solution.
Versatile MXenes for Aqueous Zinc Batteries
Authors: Liu Huan , Xin Zijun , Cao Bin , Zhang Bao , Fan Hong Jin , Guo Shaojun 
Published: November 2023

AbstractAqueous zinc‐ion batteries (AZIBs) are gaining popularity for their cost‐effectiveness, safety, and utilization of abundant resources. MXenes, which possess outstanding conductivity, controllable surface chemistry, and structural adaptability, are widely recognized as a highly versatile platform for AZIBs. MXenes offer a unique set of functions for AZIBs, yet their significance has not been systematically recognized and summarized. This review article provides an up‐to‐date overview of MXenes‐based electrode materials for AZIBs, with a focus on the unique functions of MXenes in these materials. The discussion starts with MXenes and their derivatives on the cathode side, where they serve as a 2D conductive substrate, 3D framework, flexible support, and coating layer. MXenes can act as both the active material and a precursor to the active material in the cathode. On the anode side, the functions of MXenes include active material host, zinc metal surface protection, electrolyte additive, and separator modification. The review also highlights technical challenges and key hurdles that MXenes currently face in AZIBs.
Separated Electron–Phonon and Phonon–Phonon Scatterings Across Interface in Thin Film LaCoO3/SrTiO3
Authors: Hao Wenjie , Gu Minghui , Tian Zhenyun , Fu Shaohua , Meng Meng , Zhang Hong , Guo Jiandong , Zhao Jimin 
Published: November 2023

AbstractElectron–phonon coupling (EPC) and phonon–phonon scattering (PPS) are at the core of the microscopic physics mechanisms of vast quantum materials. However, to date, there are rarely reports that these two processes can be spatially separated, although they are usually temporally detached with different characteristic lifetimes. Here, by employing ultrafast spectroscopy to investigate the photo‐carrier ultrafast dynamics in a LaCoO3 thin film on a (100) SrTiO3 substrate, intriguing evidence is found that the two interactions are indeed spatially separated. The EPC mainly occurs in the thin film, whereas PPS is largely in the substrate, especially at the several atomic layers near the interface. Across‐interface penetration and decay of optical phonons into acoustic phonons thus naturally occur. An EPC strength λEg = 0.30 is also obtained and an acoustic phonon mode at 45.3 GHz is observed. The finding lays out a cornerstone for future quantum nano device designs.
Long Time CO2 Storage Under Ambient Conditions in Isolated Voids of a Porous Coordination Network Facilitated by the “Magic Door” Mechanism
Authors: Shimada Terumasa , Usov Pavel M. , Wada Yuki , Ohtsu Hiroyoshi , Watanabe Taku , Adachi Kiyohiro , Hashizume Daisuke , Matsumoto Takaya , Kawano Masaki 
Published: November 2023

AbstractA coordination network containing isolated pores without interconnecting channels is prepared from a tetrahedral ligand and copper(I) iodide. Despite the lack of accessibility, CO2 is selectively adsorbed into these pores at 298 K and then retained for more than one week while exposed to the atmosphere. The CO2 adsorption energy and diffusion mechanism throughout the network are simulated using Matlantis, which helps to rationalize the experimental results. CO2 enters the isolated voids through transient channels, termed “magic doors”, which can momentarily appear within the structure. Once inside the voids, CO2 remains locked in limiting its escape. This mechanism is facilitated by the flexibility of organic ligands and the pivot motion of cluster units. In situ powder X‐ray diffraction revealed that the crystal structure change is negligible before and after CO2 capture, unlike gate‐opening coordination networks. The uncovered CO2 sorption and retention ability paves the way for the design of sorbents based on isolated voids.
Engineering design of direct‐air‐capture contactors composed of sorbent particles using numerical simulations
Authors: Borker Neeraj Sinai , Herdtle Thomas , Sauer Cory , Romdhane Ilyess Hadj , Pekurovsky Mikhail 
Published: November 2023

AbstractWe study the transport of CO2 molecules inside direct‐air‐capture (DAC) contactors made of packed beds of solid‐sorbent‐particles separated by airgaps using numerical solution of the convection‐diffusion and first‐order adsorption kinetics equations. We quantify an apparent slowdown in the CO2 uptake in such contactors relative to the CO2 uptake of a high‐capacity sorbent particle making the bed. We derive two naturally occurring length‐scales associated with the adsorption process: (1) thickness of the sorbent related to the sorbent chemistry (capacity and adsorption rate constants), packing density, and diffusion coefficient of CO2 inside bed; and (2) extent of the bed in the air‐flow direction related to convective air‐flow velocity, sorbent chemistry, packed bed thickness, and packing density. DAC designs that have a bed thickness of O() and streamwise extent O() are shown to have faster CO2 uptake and more economical capture costs ($/ton‐CO2) compared with designs further away from this design set‐point. Our work should provide guidance to engineering design of DAC contactors with packed bed sorbents and related porous materials.
Two novel heterozygous exonic deletions lead to Chanarin–Dorfman syndrome in a patient with congenital ichthyosis, sensorineural hearing loss, and liver dysfunction
Authors: Zoullas Sofia , Morel Dayna , Zafeer Faraz , Borjas‐Mendoza Paulo , Angeli Simon , Zhou Yi , Bademci Guney , Tekin Mustafa 
Published: November 2023

AbstractChanarin–Dorfman syndrome is an autosomal recessively inherited disorder characterized by ichthyosis, sensorineural hearing loss, and hepatic dysfunction. We report on a 60‐year‐old female of Venezuelan descent who presented with congenital ichthyosis, progressive sensorineural hearing loss, and liver cirrhosis. We identify a heterozygous copy number deletion involving exon 1 and another heterozygous deletion involving exon 3 of the ABHD5 gene. Exon 2 is preserved. Both deletions were confirmed with RT‐PCR. RNAseq from peripheral blood shows a reduction of ABHD5 expression overall and an absence of exon 3 expression, confirming the deleterious effects of the identified deletions. We present exonic deletions as a potentially common type of ABHD5 variation.
Fifty+ years of primate research illustrates complex drivers of abundance and increasing primate numbers
Authors: Chapman Colin A. , Gogarten Jan F. , Golooba Martin , Kalbitzer Urs , Omeja Patrick A. , Opito Emmanuel A. , Sarkar Dipto 
Published: November 2023

AbstractMany primate populations are threatened by human actions and a central tool used for their protection is establishing protected areas. However, even if populations in such areas are protected from hunting and deforestation, they still may be threatened by factors such as climate change and its cascading impacts on habitat quality and disease dynamics. Here we provide a long‐term and geographically wide‐spread population assessment of the five common diurnal primates of Kibale National Park, Uganda. Over 7 year‐long or longer census efforts that spanned 52 years, our team walked 1466 km, and recorded 480 monkey groups. Populations were generally relatively stable with a few exceptions, for which no apparent causative factors could be identified. This stability is unexpected as many ecological changes documented over the last 34+ years (e.g., decreasing food abundance and quality) were predicted to have negative impacts. Populations of some species declined at some sites but increased at others. This highlights the need for large, protected areas so that declines in particular areas are countered by gains in others. Kibale has large areas of regenerating forest and this most recent survey revealed that after 20+ years, forest regeneration in many of these areas appears sufficient to sustain sizeable primate populations, except for blue monkeys that have not colonized these areas. Indeed, the average primate abundance in the regenerating forest was only 8.1% lower than in neighboring old‐growth forest. Thus, park‐wide primate abundance has likely increased, despite many pressures on the park having risen; however, some areas in the park remain to be assessed. Our study suggests that the restoration, patrolling, and community outreach efforts of the Uganda Wildlife Authority and their partners have contributed significantly to protecting the park and its animals.
Artificial intelligence as a teaching tool for gynaecological ultrasound: A systematic search and scoping review
Authors: Deslandes Alison , Avery Jodie , Chen Hsiang‐Ting , Leonardi Mathew , Condous George , Hull M. Louise 
Published: November 2023

AbstractPurposeThe aim of this study was to investigate the current application of artificial intelligence (AI) tools in the teaching of ultrasound skills as they pertain to gynaecological ultrasound.MethodsA scoping review was performed. Eight databases (MEDLINE, EMBASE, EMCARE, CINAHL, Scopus, Web of Science, IEEE Xplore and ACM digital library) were searched in December 2022 using predefined keywords. All types of publications were eligible for inclusion so long as they reported the use of an AI tool, included reference to or discussion of teaching or the improvement of ultrasound skills and pertained to gynaecological ultrasound. Conference abstracts and non‐English language papers which could not be adequately translated into English were excluded.ResultsThe initial database search returned 481 articles. After screening against our inclusion and exclusion criteria, two were deemed to meet the inclusion criteria. Neither of the articles included reported original research (one systematic review and one review article). Neither of the included articles explicitly provided details of specific tools developed for the teaching of ultrasound skills for gynaecological imaging but highlighted similar applications within the field of obstetrics which could potentially be expanded.ConclusionArtificial intelligence can potentially assist in the training of sonographers and other ultrasound operators, including in the field of gynaecological ultrasound. This scoping review revealed however that to date, no original research has been published reporting the use or development of such a tool specifically for gynaecological ultrasound.
Enantioselective Synthesis of C−O Axially Chiral Diaryl Ethers by NHC‐Catalyzed Atroposelective Desymmetrization**
Authors: Shee Sayan , Shree Ranganathappa Sowmya , Gadhave Mahesh S. , Gogoi Romin , Biju Akkattu T. 
Published: November 2023

AbstractAxially chiral diaryl ethers, a distinguished class of atropisomers possessing unique dual C−O axis, hold immense potential for diverse research domains. In contrast to the catalytic enantioselective synthesis of conventional single axis bearing atropisomers, the atroposelective synthesis of axially chiral ethers containing flexible C−O axis remains a significant challenge. Herein, we demonstrate the first N‐heterocyclic carbene (NHC)‐catalyzed synthesis of axially chiral diaryl ethers via atroposelective esterification of dialdehyde‐containing diaryl ethers. Mechanistically, the reaction proceeds via NHC‐catalyzed desymmetrization strategy to afford the corresponding axially chiral diaryl ether atropisomers in good yields and high enantioselectivities under mild conditions. The derivatization of the synthesized product expands the utility of present strategy via access to a library of C−O axially chiral compounds. The temperature dependency and preliminary investigations on the racemization barrier of C−O bonds are also presented.
Synthesis of fatty ester derived novel multifunctional additive and its performance evaluation in polyol base oil
Authors: Gupta Piyush , Akhtar Shoaib , Nisha  , Negi Ripudaman Singh , Porwal Suheel Kumar , Singh Raj Kumar 
Published: November 2023

AbstractThe organometallics like ZDDPs are widely used as multifunctional additives in lubricants for imparting antiwear, antioxidant, and corrosion inhibitor activity. Since it has toxic elements like P, Zn, and S so it is an environmentally toxic, non‐biodegradable, and ash‐forming additive. In automotive emissions, it also causes poisoning in catalytic converters. Due to environmental concerns, it is an issue of awareness to discover less toxic alternatives for these multifunctional additives despite their potent and economical properties. In this work, MO was reacted in a stoichiometric ratio with Tga, giving the intermediate compound MO‐Tga through thiol‐ene coupling. Subsequently, the reaction of MO‐Tga with PPA gave a novel multifunctional additive MO‐Tga‐PPA. The molecular characteristics and thermal stability of MO‐Tga‐PPA were studied using techniques like NMR, FTIR, and TGA. The additive was doped at various concentrations such as 1000, 2000, 3000, 4000, and 5000 ppm in polyol to examine their antiwear, antifriction, antioxidant, and anticorrosion performance. It reveals the maximum reduction of 53.85% in the average COF and 25.51% in AWSD at 5000 ppm. The antioxidant activity shows a maximum free radicals inhibition of 97.9% at 3000 ppm using the DPPH. As far as the anticorrosion activity is concerned, the values for the penetration rate, corrosion rate, and weight loss were reduced to 0.015 mpy, 0.082 mdd, and 0.08 mg from the observed values of 0.114 mpy, 0.62 mdd, and 0.60 mg in polyol base oil was observed at 4000 ppm.
Di(p‐dibenzi)[40]decaphyrin(1.0.0.0.0.1.0.0.0.0) PdII Complex: A Weakly Hückel 38π‐Aromatic Macrocycle
Authors: Wang Chengwei , Xu Ling , Rao Yutao , Yin Bangshao , Zhou Mingbo , Song Jianxin , Osuka Atsuhiro 
Published: November 2023

AbstractDi(p‐benzi)[40]decaphyrin(1.0.0.0.0.1.0.0.0.0) BF2 complex and tris(p‐benzi)[60]pentadecaphyrin(1.0.0.0.0.1.0.0.0.0.1.0.0.0.0) BF2 complex were synthesized by Suzuki‐Miyaura coupling of α,α’‐diborylated tetrapyrrole BF2‐complex with 1,4‐diiodobenzene. Bis‐BF2 complex was converted to bis‐PdII complex via its free base. Macrocycles bis‐BF2 and tris‐BF2 complex take Möbius topology but are nonaromatic, since the macrocyclic conjugation is disrupted by the locally aromatic 1,4‐phenylene units. In contrast, bis‐PdII complex is a weakly Hückel 38π‐aromatic macrocycle as evinced by its red‐shifted, enhanced, and structured Q‐like bands and a small electrochemical HOMO‐LUMO gap. Interestingly, one 1,4‐pheylene part of bis‐PdII complex takes a quinonoidal distorted structure and the other takes a usual benzene structure in a figure‐eight conformation with Hückel topology.
Improved Vanadium Flow Battery Performance through a Pulsating Electrolyte Flow Regime
Authors: De Wolf Renée , Rossen Alana , De Rop Michiel , Arenas Luis Fernando , Breugelmans Tom , Hereijgers Jonas 
Published: November 2023

AbstractThe interest in flow batteries as energy storage devices is growing due to the rising share of intermittent renewable energy sources. In this work, the performance of a vanadium flow battery is improved, without altering the electrochemical cell, by applying a pulsating flow. This novel flow battery flow regime aims to enhance performance by improving its mass transfer properties. Both the pulse volume and frequency have an influence on the battery performance, and lead to a 38.7 % increase in accessible discharge capacity compared to the conventional steady flow regime at values of 0.40 cm3 and 2.4 Hz in this cell, respectively. Furthermore, at these parameter settings a reduction of the mass transfer resistance by 71.4 % is achieved at 0.2 cm3/min ⋅ cm2. These results show that a pulsating flow can be beneficial in certain conditions, opening new possibilities for boosting performance in flow batteries.
Chromatographic analysis and antioxidant potency of the crude extract of Xanthium spinosum in various fractions
Authors: Barkatullah  , Shabana  , Nafees Muhammad 
Published: November 2023

AbstractPharmacology experts place a high priority on therapeutic plants because the majority of pharmaceutical firms rely on medicinal plants as raw ingredients. Therefore, the potential bioactive components using gas chromatography–mass spectrometry analysis and antioxidant effects using DPPH free radical scavenging activity of various crude fractions of Xanthium spinosum were assessed. Gas chromatography–mass spectrometry analysis showed the presence of various bioactive compounds including benzenedicarboxylic acid (18.60%), 8‐octadecenoic acid (4.86%), 11‐octadecenoic acid and 10‐octadecenoic acid in the crude methanolic extract, 1,2‐benzenedicarboxylic acid, diisooctyl ester (14.42%), 1,2‐benzenedicarboxylic acid, mono (2‐ethylhexyl) ester (14.42%), 6‐octadecenoic acid, methyl ester (7.56%), 8‐octadecenoic acid, methyl ester (7.56%), 10‐octadecenoic acid, methyl ester (7.56%) and hexadecanoic acid, methyl ester (6.55%) in the n‐hexane extract, ethanal, 2‐methyl‐2‐[4‐(1‐methylethyl)phenyl]‐(3.02%), (+)‐3‐carene, 4‐isopropenyl‐(3.02%), 7H‐indeno[5,6‐b] furan‐7‐one, 4,4a,5,6,7a,8‐hexahydro‐ (3.02%) and 2‐[5‐(2,2‐dimethyl‐6‐methylene‐cyclohexyl)‐3‐methyl‐pent‐2‐enyl]‐[1,4] benzoquinone (2.79%) in the chloroform extract and 1,2‐benzenedicarboxylic acid, mono (2‐ethylhexyl) ester (33.005%), 1,2‐benzenedicarboxylic acid, diisooctyl ester (33.005%) and bis(2‐ethylhexyl) phthalate (33.005%) in the ethyl acetate extract. Significant DPPH radical scavenging activity was exhibited by the chloroform fraction (43.37–88.65%) at all doses followed by the crude methanolic extract (36.02–83.75%) at all doses. In conclusion, different crude fractions of X. spinosum can be considered a rich source of pharmacologically active components that can be scoped for isolation and may be subjected to in‐depth pharmacological study.
When they are more than just employees: Environmentally conscious decision‐making in employee‐owned organizations
Authors: Yetim Mehmet A. , Gur Furkan A. 
Published: November 2023

AbstractPromoting environmental sustainability may hold relevance for employee‐owned organizations since their employees prioritize the long‐term well‐being of the business as they influence and are influenced by the legacy of the organization. The integration of environmental consciousness into decision‐making has thus the potential to help align environmental and organizational sustainability objectives in these organizations. However, the literature lacks an explanation of how employee‐owned organizations make environmentally conscious decisions. In this study, we conducted interviews with top executives of employee‐owned organizations to explore how environmentally conscious decision‐making unfolds in the experiences of these managers. We find that transparency and delegation of authority serve as two key mechanisms that underlie environmentally conscious decision‐making in employee‐owned organizations. We also find three paths inspired by these mechanisms that employee‐owned organizations follow in making environmentally conscious decisions. We discuss the implications of these mechanisms and paths for research and practice.
Lay representations of populism: Discursive negotiation of naturalized social representation
Authors: Rovamo Helena , Sakki Inari 
Published: November 2023

AbstractDespite the importance of naturalized representations for explaining, creating and recreating social reality, little empirical research has examined the resistance to and change in naturalized representations in talk. By approaching populism as a naturalized representation, this article examines the dialogical construction of populism in 55 Finnish lay interviews. Our analysis consists of two parts. First, we conduct a reflexive thematic analysis to identify the meanings of the naturalized representation of populism. Additionally, by relying on work in critical discursive psychology, we perform a more fine‐grained analysis to illustrate how the naturalized representation of populism is used in talk to construct social reality and intergroup boundaries. Second, by relying on critical discursive psychology, we illustrate the discursive strategies that allowed some of our interviewees to contest the naturalized representation of populism in talk. This study offers novel contributions to the existing literature on populism and social representations by analysing the meanings and functions of the term ‘populism’ in lay discourse, responding to the call to combine social representations theory and the discursive approach, and offering insights into the changes in naturalized representations. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Kueishanamides A and B from the Hydrothermal Vent Sediment Derived Streptomyces sp. WU20
Authors: Ge Yichao , Ma Yihan , Zhou Chengzeng , Zhang Zhixuan , Yin Qizhao , Zhang Xiaoqin , Zhang Zunjing , Wu Bin 
Published: November 2023

AbstractMarine actinomycetes are known for their production of remarkable organic molecules, particularly those featuring polyoxygenated long‐chain backbones. Determining the absolute configurations of these compounds remains a challenging task even today. In this study, we successfully established the planar structures and absolute configurations of two highly flexible amide alkaloids from Streptomyces sp. WU20: kueishanamides A (1) and B (2). These compounds possess a C13 linear backbone and each contains five stereogenic carbon centers. Our approach involved a combination of spectroscopic and computational methods, including J‐based configurational analysis and VCD calculations, ensuring the unambiguous determination of their configurations. Kueishanamide A (1) and kueishanamide B (2) showed moderate antifungal activity against pathogenic fungus Crytococcus neoformans, with MIC values of 25 μg/mL each.
Enzyme‐Instructed Host‐Guest Assembly/Disassembly for Biomedical Applications
Authors: Yan Hongzhe , Liu Xiaoyang , Ding Caifeng , Liang Gaolin 
Published: November 2023

AbstractCompared with the normal assembly/disassembly approaches, enzyme‐instructed host‐guest assembly/disassembly strategies due to their superior biocompatibility and specificity for specific substrates, can more effectively and precisely release molecules at lesions for reflecting in vivo biological events. Specifically, due to the over‐expression of enzymes in specific tissues, the assembly/disassembly processes can directly occur on the pathological sites (or regions of interest), thus these enzyme‐instructed processes are widely and effectively used for disease treatment or precise bioimaging. Based on it, we introduce the concept and major strategies of enzyme‐instructed host‐guest assembly/disassembly, illustrate their importance in the diagnosis and treatment of diseases, and review their advances in biomedical applications. Further, the challenges of these strategies in the clinic and future tendencies are also prospected.