bluuebunny/crossref_metadata_2025 huggingface dataset:
Tailoring Fe3+‐Activated Broadband NIR Phosphors: Enhancing External Quantum Efficiency and Spectrum Adjustability Through Crystal Field Engineering in Double Perovskite Antimonate Structures
Authors: Zhang Xibao , Wu Xiudi , Xu Yonghui , Yin Shuwen , Zhong Chuansheng , Zhou Liang , You Hongpeng
Published: December 2023

For near‐infrared (NIR) luminescent materials, it is a challenge to develop the next generation materials with high external quantum efficiency (EQE), low toxicity, and adjustable spectrum. The transition metal ion Fe3+ can act as a good activator and emit NIR light in oxide host lattice, but there is limited research on this topic. Herein, authors have developed a series of Fe3+ activated A2BSbO6:yFe3+ (A = Ca, Sr, Ba; B = Sc, Y, Ga) phosphors with a double perovskite structure, which can efficiently convert the exciting light into NIR emission in the range of 750–1200 nm with a full‐width half‐maximum (FWHM) of 1372−1525 cm−1. The NIR luminescence originates from the 4T1 (4G)→6A1 (6S) transition of the Fe3+ ions situated in the octahedral sites.   By employing crystal field engineering, the emission spectra peak can be adjusted within the range of 842–944 nm, and the excitation spectra can be tuned from 334 to 374 nm. These spectral adjustments enable a good match between the phosphors and commercially ultraviolet chips. When excited at 334 nm, the Sr2ScSbO6:0.1%Fe3+ phosphor demonstrates a remarkably high EQE of 54.2% and high luminescent thermostability. These characteristics make it suitable for applications in NIR spectral detection.
Synthesis of Furo[2,3‐f]dibenzotropones via Intramolecular Wittig Reaction of Alkylidene Dibenzo‐β‐tropolones
Authors: Chien Po‐Chung , Chen Yi‐Ru , Chen You‐Jie , Chang Ching‐Fen , Marri Gangababu , Lin Wenwei
Published: December 2023

A strategy was developed for synthesizing furan‐fused dibenzotropones via intramolecular Wittig reactions of alkylidene dibenzo‐β‐tropolones and acylating reactants in catalytic or stoichiometric conditions. With these protocols, a series of furo[2,3‐f]dibenzotropones were obtained in 49–99% yields within 1–10 hours. Mechanistic studies of the base‐free phenomena revealed that the organophosphane acts both as a mediator and a regenerable Brønsted base under heating.
Exploring Optoelectronic‐Thermal Coupling in Perovskite Solar Cells Utilizing Varied Hole Transport Layers
Authors: Cheng Wan , Liu Ying , Zhou Rui , Yang Yuanlin , Wang Chunxia , Li Ying , Zhou Liwei , Niu Lianbin , Chen Lijia
Published: December 2023

Perovskite solar cells (PSCs) have become a research hotspot both domestically and internationally due to their superior optoelectronic performance as a new type of thin‐film solar cell. One of the methods to enhance the performance of PSCs is the optimization of the hole transport layer(HTL). In this study, COMSOL Multiphysics simulation software is employed to model and simulate PSCs, and perform coupled simulations of the optical, electrical, and thermal properties of PSCs with different HTL. The simulations analyze the carrier concentration, Shockley–Read–Hall (SRH) recombination, electric field profile, and temperature distribution in the devices. The simulation results demonstrate that among the different HTL (CuO, Spiro‐OMeTAD, and NiO), NiO exhibited more favorable characteristics as a HTL for improving the photovoltaic conversion efficiency of PSCs. The photovoltaic conversion efficiency reached 17.14% with NiO as the hole transport layer, and the SRH recombination rate in PSCs based on NiO HTL of PSCs is lower than CuO and Spiro‐OMeTAD, facilitating efficient charge transport. Furthermore, the temperature distribution of PSCs is analyzed based on different HTL, and the results indicate that PSCs with NiO as the hole transport layer exhibited higher thermal stability.
Secondary and micronutrient application effects on corn fertilized for different yield goals under highly weathered soil conditions
Authors: Amissah Solomon , Ankomah Godfred , Lee Robert D. , Sohag Md Ariful I. , Harris Glendon H. , Cabrera Miguel , Franklin Dorcas H. , Diaz‐Perez Juan C. , Sintim Henry Y.
Published: December 2023

Highly weathered soils have low native fertility; thus, optimum nutrient management is critical, especially for a high‐input crop such as corn (Zea mays). Field studies were established in Plains and Tifton, GA, to assess secondary nutrient (SN; Mg, Ca, and S) and micronutrient (MN; B, Zn, Mn, Fe, Cu, and Mo) application effects on corn fertilized with primary nutrients (PN; N, P, and K) to achieve 12.5 Mg ha−1 (low) and 25.1 Mg ha−1 (high) yields. Both Plains and Tifton have Ultisol soil. However, the Tifton soil has a 30‐cm top sandy layer, and the Plains soil has no top sandy layer. Differences in corn nutrient concentrations were observed at the V5–V7 stage but not in biomass accumulation. The 12.5 Mg ha−1 target grain yield from applying the low PN was exceeded at both locations (by 19.0%–26.6% in Plains and 6.3%–19.7% in Tifton), irrespective of the SN or MN application. However, the 25.1 Mg ha−1 target grain yield from applying the high PN rate was not achieved, with yields of 16.9–17.7 Mg ha−1 in Plains and 15.7–17.1 Mg ha−1 in Tifton obtained. The SN and/or MN application increased corn yield (by 2.3%–13.6%) across all conditions, but the differences were statistically significant under just the low PN rate in Tifton. Overall, the results showed that SN and MN could be yield‐limiting factors of corn in the Ultisol soils tested in the study, and also 12.5 Mg ha−1 corn yield can be achieved with lower PN rates than currently recommended.
Wearable Internet of Things Gait Sensors for Quantitative Assessment of Myers–Briggs Type Indicator Personality
Authors: Zhao Yuliang , Xing Hualin , Wang Xiaoai , Tian Yu , Sun Tingting , Chen Meng , Yeung Dannii Y. L. , Ho Samuel M. Y. , Wang Jianping , Li Wen Jung
Published: December 2023

Gait is a typical habitual human behavior and manifestation of personality. The unique properties of individual gaits may offer important clues in the assessment of personality. However, assessing personality accurately through quantitative gait analysis remains a daunting challenge. Herein, targeting young individuals, standardized gait data are obtained from 114 subjects with a wearable gait sensor, and the Myers–Briggs Type Indicator (MBTl) personality scale is used to assess their corresponding personality types. Artificial intelligence algorithms are used to systematically mine the relationship between gaits and 16 personality types. The work shows that gait parameters can indicate the personality of a subject from the four MBTI dimensions of E‐l, S‐N, T‐F, and J‐P with a concordance rate as high as 95%, 96%, 91%, and 91%, respectively. The overall measurement accuracy for the 16 personality types is 88.16%. Moreover, a personality tracking experiment on all the subjects after one year to assess the stability of their personality is also conducted. This research, which is based on a smart wearable Internet of Things gait sensor, not only establishes a new connection between behavioral analysis and personality assessment but also provides a set of accurate research tools for the quantitative assessment of personality.
A severe neurocognitive phenotype caused by biallelic CHD3 variants in two siblings
Authors: Goldfarb Yaacobi Racheli , Sukenik Halevy Rivka
Published: December 2023

CHD3 heterozygous variants are associated with Snijders Blok‐Campeau syndrome (SBCS) which consists of intellectual disability (ID), macrocephaly, and dysmorphic facies. Most reported variants are missense or loss of function clustered within the ATPase/helicase domain of the protein. We report a severe neurocognitive phenotype caused by biallelic CHD3 variants in two siblings, each inherited from a mildly affected parent. Male and female siblings were referred to the Genetics Clinic due to severe ID and profound dysmorphism. The parents are first cousins of Iranian descent with borderline intellectual abilities. Exome sequencing was performed for the affected female and her parents. A single homozygous candidate variant in the CHD3 gene was detected in the proband: c.5384_5389dup. p.Arg1796_Phe1797insTrpArg, resulting in an in‐frame insertion of 2 amino acids located outside the ATPase/helicase domain at the C‐terminal region of CHD3‐encoding residues. This variant is classified as likely pathogenic according to ACMG guidelines. The variant was detected in a heterozygous state in each parent. Both affected siblings were homozygous, while their unaffected brother did not carry the variant. Biallelic CHD3 variants cause a severe neurodevelopmental syndrome that is distinguishable from SBCS. We assume that the variant type (in‐frame insertion) and location may enable CHD3 biallelic variants.
Genetics of 21‐hydroxylase deficiency: Clinical presentation should guide the investigation
Authors: Ilany Jacob
Published: December 2023

A young couple applied for preconception counseling because of a case of congenital adrenal hyperplasia in the family. They were concerned about their risk of giving birth to a child with classic congenital adrenal hyperplasia. The case presented here demonstrates the complexity of the genetics of 21‐hydroxylase deficiency and the way the clinical presentation should guide the genetic inquiry.
Weak Solvation Effect Induced Optimal Interfacial Chemistry Enables Highly Durable Zn Anodes for Aqueous Zn‐Ion Batteries
Authors: Cao Xianshuo , Xu Wei , Zheng Dezhou , Wang Fuxin , Wang Yi , Shi Xin , Lu Xihong
Published: December 2023

Aqueous zinc‐ion batteries (AZIBs) are emerging as one of the most reliable energy storage technologies for scale‐up applications, but still suffer from the instability of Zn anode, which is mainly caused by the undesirable dendrite growth and side reactions. To tackle these issues, we formulate a new aqueous electrolyte with weak solvation effect by introducing low‐dielectric‐constant acetone to achieve H2O‐poor solvation structure of Zn2+. Experimental and theoretical calculation studies concurrently reveal that such solvation structure can: i) relieve the solvated H2O related side reactions, ii) suppress the dendrite growth by boosting the desolvation kinetics of Zn2+ and iii) in situ form solid electrolyte interface (SEI) to synergistically inhibit the side reaction and dendrite growth. The synergy of these three factors prolongs the cycling life of Cu/Zn asymmetric cell from 30 h to more than 800 h at 1 mA cm−2/1 mAh cm−2, and can work at more harsh condition of 5 mA cm−2/5 mAh cm−2. More encouragingly, Zn/V2O5 ⋅ nH2O full cell also shows enhanced cycling stability of 95.9 % capacity retention after 1000 cycles, much better than that with baseline electrolyte (failing at ≈700th cycle).
Perfluoroalkyl‐Decorated Noble‐Metal‐Free MOFs for the Highly Efficient One‐Pot Four‐Component Coupling between Aldehydes, Amines, Alkynes, and Flue Gas CO2
Authors: Yang Fan , Wang Jiajia , Wang You , Yu Benling , Cao Yiwen , Li Jiawei , Wu Linlin , Huang Jianhan , Liu You‐Nian
Published: December 2023

The non‐noble‐metal catalysed‐multicomponent reactions between flue gas CO2 and cheap industrial raw stocks into high value‐added fine chemicals is a promising manner for the ideal CO2 utilization route. To achieve this, the key fundamental challenge is the rational development of highly efficient and facile reaction pathway while establishing compatible catalytic system. Herein, through the stepwise solvent‐assisted linker installation, post‐synthetic fluorination and metalation, we report the construction of a series of perfluoroalkyl‐decorated noble‐metal‐free metal–organic frameworks (MOFs) PCN‐(BPY‐CuI)‐(TPDC‐Fx) [BPY=2,2′‐bipyridine‐5,5′‐dicarboxylate, TPDC‐NH2=2′‐amino‐[1,1′:4′,1′′‐terphenyl]‐4,4′′‐dicarboxylic acid] that can catalyze the one‐pot four‐component reaction between alkyne, aldehyde, amine and flue gas CO2 for the preparation of 2‐oxazolidinones. Such assembly endows the MOFs with superhydrophobic microenvironment, superior water resistance and highly stable catalytic site, leading to 21 times higher turnover numbers than that of homogeneous counterparts. Mechanism investigation implied that the substrates can be efficiently enriched by the MOF wall and then the adsorbed amine species act as an extrinsic binding site towards dilute CO2 through their strong preferential formation to carbamate acid. Moreover, density functional theory calculations suggest the tetrahedral geometry of Cu in MOF offers special resistance towards amine poisoning, thus maintaining its high efficiency during the catalytic process.
Solid state conversion of novel coordinated precursors to visible light active photocatalysts with enhanced photocatalytic activity
Authors: Hasan Mohammad , Ali Mayada S. , Madkour Metwally
Published: December 2023

The new polydentate N'1,N'3‐bis((E)‐3‐oxopentan‐2‐ylidene)malonohidrazide chelating agent (H2L) and its coordinated complexes of Co2+, Cu2+, and Ni2+ were prepared and characterized by elemental analysis, molar conductance, and spectra (Fourier transform infrared [FT‐IR], ultraviolet–visible spectroscopy [UV–vis], and Fast‐Atom Bombardment Mass Spectrometry (FAB‐MS). Also, thermal and magnetic investigations were conducted. X‐ray single crystal of the H2L ligand revealed a triclinic structure  with space group P‐1. In this study, we provide a one‐pot preparation approach for transition metal oxide nanoparticles (NPs) such as CuO, Co3O4, and NiO NPs. The methodology entails the thermal decomposition of coordinated metal precursors in a solid‐state environment, obviating the necessity for agitation and rinsing. The remarkable significance of this method lies in its ability to produce highly pure NPs without the requirement of washing, and it allows for systematic and efficient production. Herein, we propose a large‐scale, environmentally benign and renewable, transition metals oxide NPs such as CuO, Co3O4, and NiO using solid‐state thermal degradation of their coordinated precursors. The NPs are subjected to analysis employing a range of techniques, such as X‐ray powder diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), N2 sorpometry (BET), and UV–vis). The photocatalytic activities of the synthesized NPs were assessed using photodegradation of organic contaminants in wastewater.
Lightweight polyethylene terephthalate bead foams with good interfacial adhesion and thermal insulation performance fabricated by supercritical carbon dioxide secondary foaming strategy
Authors: Yang Senlin , Ma Wenjie , Ren Xiangfeng , Han Dong , Wang Zengzeng , Xu Dawei
Published: December 2023

This paper reported the novel supercritical carbon dioxide (scCO2) secondary foaming and molding strategy to prepare the thermal‐insulation polyethylene terephthalate (PET) bead foam part with good interfacial adhesion and high expansion ratio. The incorporation of porous structure could effectively enhance the blowing agent solubility and fabricate the system viscosity difference, which contributed to the expansion and further welding of the expanded PET beads. Under the optimum foaming conditions, PET bead foam parts with excellent comprehensive performance were successfully prepared by molding method in the confined space via scCO2 secondary foaming, and the corresponding welding mechanism of PET beads was further investigated. The obtained foam parts possessed good tensile and compressive properties, reaching 1.03 and 1.27 MPa (at 20% strain) respectively. Besides, the foam part exhibited the low thermal conductivity of 0.060 Wm−1 K−1, which confirmed the improvement of thermal insulation performance owing to the high expansion ratio.
Listen to this: Why consumer behavior researchers should care about listening
Authors: Itzchakov Guy , Wheeler S. Christian
Published: December 2023

Consumers' decisions are intricately interwoven with their conversations. Whether it is an animated discussion with a trusted friend extolling the virtues of a newly acquired car (i.e., Word‐of‐Mouth), an engaging dialogue with a salesperson, or a clarifying call to a help center seeking guidance on a just‐purchased smartwatch, every exchange hinges on a pivotal factor: the quality of listening. Listening quality shapes perceptions, affects social influence, drives behavioral intentions, and, ultimately, determines purchase and post‐purchase outcomes. Yet, despite its importance to these consumer behavior outcomes, listening has received scant attention in consumer psychology. In this paper, we review the effects of listening on consumer behavior‐relevant outcomes and unpack the components of quality listening to reveal their independent mechanisms. We also point to new frontiers in listening research beyond the in‐person, dyadic interactions that have been the primary focus of listening research to date. By doing this, we elucidate how listening and consumer behavior are connected and encourage more research on listening in consumer psychology.
In Situ Spectroscopic Study of CO2 Capture and Methanation over Ni−Ca Based Dual Functional Materials
Authors: Miyazaki Shinta , Chen Duotian , Jiacheng Bao , Toyao Takashi , Kanda Yasuharu , Shimizu Ken‐ichi
Published: December 2023

Carbon dioxide capture and reduction (CCR) to CH4 using dual‐functional materials (DFMs) have recently attracted significant attention as a promising strategy for carbon capture and utilization. In this study, we investigate the mechanism of CCR to CH4 over Al2O3‐supported Ni−Ca DFMs (Ni−Ca/Al2O3) under cyclic feeds of model combustion exhaust (2.5 % CO2+0 or 10 % O2/N2) and H2 at 500 °C. Various spectroscopic analyses, including time‐resolved in situ X‐ray diffraction and X‐ray absorption spectroscopy, were conducted during CO2 capture and the subsequent H2‐reduction steps. Based on these analyses, we propose a mechanism of CCR to CH4 over Ni−Ca based DFMs. During the CO2 capture step, the Ni0 species underwent complete oxidation in the presence of O2 to yield NiO. Subsequently, CO2 was captured through the interaction between the CaO surface and CO2, resulting in the formation of CaCO3 layers on the CaO particles. When the gas flow was switched to H2, NiO was partially to provide Ni0 sites, which acted as active sites for H2‐reduction of the adjacent CaCO3 layers to yield CaO and gas‐phase products, CH4 and H2O.
Dipyridyl‐Fused Quinoxalineimide (DPQI): A Strong Electron‐Withdrawing Building Block for n‐Type Polymer Semiconductors
Authors: Li Mingwei , Yang Wanli , Cheng Rong , Liu Xuantong , Zhang Zihan , Tian Xiaowen , Shi Yongqiang
Published: December 2023

Exploration of new electron‐withdrawing building blocks plays a key role in the development of n‐type organic semiconductors. Herein, a strong electron‐withdrawing building block, dipyridyl‐fused quinoxalineimide (DPQI), was successfully designed and synthesized. Single‐crystal structure reveals that DPQI molecule possesses a completely planar backbone, which is beneficial for charge transport. For comparison, dibenzo‐fused quinoxalineimide (DBQI) was also synthesized. The frontier molecular orbital (FMO) energy levels downshift with the incorporation of nitrogen atoms onto the π‐conjugated backbone of quinoxalineimide. Two acceptor‐acceptor (or all‐acceptor) polymers P(BTI‐DBQI) and P(BTI‐DPQI) based on DBQI and DPQI were synthesized, respectively. Two polymers exhibit deep lowest‐unoccupied molecular orbital (LUMO) levels (~−3.5 eV). Additionally, P(BTI‐DPQI) exhibits unipolar n‐type charge transport with μe of 1.4×10−4 cm2 V−1 s−1 in the organic field‐effect transistors (OFET), which render them highly attractive for developing n‐type semiconductors device. This work demonstrates that DPQI is a promising building block for constructing n‐type polymer semiconductors.
Tuning Chemoenzymatic Pd/Laccase Conformation Toward Optimized Heterogeneous Aerobic Oxidation
Authors: Yang Fangfang , Rousselot Pailley Pierre , Backov Rénal , Courvoisier‐Dezord Elise , Amouric Agnès , Tron Thierry , Mekmouche Yasmina
Published: December 2023

Heterogeneous chemoenzymatic catalysts differing in their spatial organization and relative orientation of their enzymatic laccase and Pd units confined into macrocellular silica foams were tested on veratryl alcohol oxidation. When operating under continuous flow, we show that the catalytic efficiency of hybrids is significantly enhanced when the Pd(II) complex is combined with a laccase exhibiting a surface located lysine next to the T1 oxidation site of the enzyme.
A case of pregnant patient with stenotic bicuspid aortic valve
Authors: Lewek Joanna , Maciejewski Marek , Banach Maciej , Bielecka‐Dąbrowa Agata Magdalena
Published: December 2023

Key Clinical Message

Asymptomatic severe aortic stenosis (AS) during pregnancy remains challenging; however, the postponement of surgery with the possibility of valvuloplasty as a bridge therapy seems reasonable. Our case showed that despite physiological changes during pregnancy, the aortic valve defect did not worsen, which allowed us to avoid dilemmas related to anticoagulation on artificial valve.

A 31‐year‐old woman, with a bicuspid aortic aorta, post‐aortic valvulotomy, was listed for cardiac surgery because of severe aortic stenosis. However, the operation was postponed due to procreation plans. During the pregnancy and delivery, we did not observe neither deterioration of symptoms nor changes of echocardiographic parameters. Subsequent monthly echocardiographic studies did not reveal a significant increase of peak and mean aortic gradient.

Presented case reports showed that despite physiological changes associated with pregnancy, the aortic valve defect did not worsen, which allowed to avoid dilemmas related to anticoagulation on artificial valves.
To Be or Not To Be… Cooperative? Trimetallic Catalysts for the Ring‐Opening Polymerisation of Cyclic Esters
Authors: Lowy Phoebe A. , Abdul Rahman Maisarah , Nichol Gary S. , Morrison Carole A. , Garden Jennifer A.
Published: December 2023

Multimetallic catalysts have emerged as a promising route to enhance catalyst performance in cyclic ester ring‐opening polymerisation (ROP), as these complexes can outperform the monometallic analogues in terms of reactivity and/or polymerisation control. Such enhancements are often attributed to “multimetallic cooperativity”, yet the origins of this cooperativity often remain unclear. Here, we report the synthesis and characterisation of two trimetallic Al‐salen complexes (L1(AlMe)3 and L1(AlEt)3), containing three Al‐salen subunits in close proximity, and their monometallic analogues (L2(AlMe) and L2(AlEt)). These complexes have been applied as catalysts for cyclic ester ROP under a range of conditions, to probe their potential for cooperative behaviour. Trimetallic L1(AlMe)3 and L1(AlEt)3 both display high activities in rac‐lactide ROP, giving kobs values of up to 11×10−3 min−1. Yet careful benchmarking against the monometallic complexes reveals that whether these systems display multimetallic cooperativity or not depends upon the reaction conditions. Detailed kinetic and spectroscopic studies into the origins of cooperativity revealed that the neighbouring metals play a key role in the initiation step, rather than propagation. Overall, these studies highlight the importance of understanding the reaction conditions in order to accurately define whether a catalyst displays multimetallic cooperativity.
Revolutionizing the Afterlife of EV Batteries: A Comprehensive Guide to Echelon Utilization Technologies
Authors: Wang Yinfei , Hu Fengping , Wang Yiwei , Guo Jian , Yang Zhengxin , Jiang Fangming
Published: December 2023

In the burgeoning new energy automobile industry, repurposing retired power batteries stands out as a sustainable solution to environmental and energy challenges. This paper comprehensively examines crucial technologies involved in optimizing the reuse of batteries, spanning from disassembly techniques to safety management systems. The review assesses the viability of retired batteries, comparing their performance with that of new units, and evaluates scenarios for echelon utilization. Early safety warning systems based on temperature, voltage, and gas emissions are analyzed to enhance the understanding of safety management. In addition, the current state and enhancement opportunities for the second life of electric vehicle batteries are presented. The research highlights the integral role of retired power batteries in applications such as energy storage, communication bases, and streetlights. It is indicated that ensuring safety through robust early warning systems is of paramount importance. Ultimately, this paper envisions a sustainable future, driven by innovative strategies that facilitate the effective utilization of retired batteries in the new energy automobile industry.
Construction of Oligorotaxanes with Hydrogen‐Bonded Aramide Macrocycles through Threaded Host‐Guest Complexation
Authors: Huang Song , Li Xiaowei , Cai Yimin , Feng Wen , Yuan Lihua
Published: December 2023

The development of efficient and selective organic synthetic approaches for complex molecules has garnered significant attention due to the need for precise control over molecular structures and functions. Rotaxanes, a type of mechanically interlocked molecules (MIMs), have shown promising applications in various fields including sensing, catalysis, and material science. However, the highly selective synthesis of oligo[n]rotaxanes (mostly n≥3) through controlling host‐guest complexation and supramolecular threading assembly process still remains an ongoing challenge. In particular, the utilization of two‐dimensional (2D) macrocycles with structural shape‐persistency for the synthesis of oligo[n]rotaxanes is rare. In this concept, research on cooperatively threaded host‐guest complexation with hydrogen‐bonded (H‐bonded) aramide macrocycles and selective synthetic protocols of oligo[n]rotaxanes has been summarized. The high efficiency and selectivity in synthesis are ascribed to the synergistic interplay of multiple non‐covalent bonding interactions such as hydrogen bonding and intermolecular π–π stacking of macrocycles within the unique supramolecular structure of threaded host‐guest complexes. This review focuses on the latest progress in the concepts, synthesis, and properties of H‐bonded aramide macrocycle‐based oligorotaxanes, and presents an in‐depth outlook on challenges in this emerging field.
Carbon Dots based Tissue Equivalent Dosimeter as an Ionizing Radiation Sensor
Authors: dos Santos de Almeida Wandson , Gomes Abegão Luis Miguel , Vinicius Silva Alves Anderson , de Oliveira Souza Silva Jonatas , Oliveira de Souza Susana , d'Errico Francesco , Midori Sussuchi Eliana
Published: December 2023

This work explores the potential of carbon dots as a fluorescent probe in the determination of heavy ions and as an electrochemical biosensor. It also discusses how carbon dots can be introduced into the Fricke solution to potentially serve as an ionizing radiation sensor. The study presents a novel tissue equivalent dosimeter carbon dots‐based as an ionizing radiation sensor. The methodology for the synthesis of Nitrogen‐doped Carbon Dots N‐CDs and the characterization of the material are described. The results show that the N‐CDs have a high sensitivity to ionizing radiation and can be used as a dosimeter for radiation detection. The study also discusses the limitations and challenges of using carbon dots as a dosimeter for ionizing radiation. Overall, this study provides valuable insights into the potential applications of carbon dots in different fields and highlights the importance of further research in this area.
Reactivity of Frustrated Lewis Pair: Carbocation versus Radical Intermediates
Authors: Qu Zheng‐Wang , Zhu Hui , Grimme Stefan
Published: December 2023

Recent reports of radical formation within frustrated Lewis pairs (FLPs) suggested that single‐electron transfer (SET) could play an important role in their chemistry especially for C−C coupling. In sharp contrast, our extensive dispersion‐corrected DFT calculations show that although reactive benzhydryl radical along with phosphine radical cation species can be kinetically generated from bulky phosphines and benzhydryl cation, direct P−C hetero‐coupling may lead to bulky phosphonium cation as reactive carbocation transfer reagents to styrene substrates, which is kinetically much more favorable than the recently proposed radical C−C coupling between benzhydryl radical and styrene. Similarly, meta‐stable radical cation Mes3P+⋅ salt is also kinetically accessible via SET reactions of Mes3P and B(C6F5)3 with 0.5 equivalent of p‐O2C6Cl4.
Thioarylation of 6‐Amino‐2,3,6‐trideoxy‐d‐manno‐oct‐2‐ulosonic Acid (IminoKdo): Access to 3,6‐Disubstituted Picolinates and Mechanistic Insights
Authors: Manmode Sujit , Hussain Nazar , Marin Oscar Javier Gamboa , Kato Atsushi , Veytia‐Bucheli José Ignacio , Vincent Stéphane P. , Gauthier Charles
Published: December 2023

In this work, we present a metal‐free coupling protocol for the regio‐ and stereoselective C3‐thioarylation of 6‐amino‐2,3,6‐trideoxy‐d‐manno‐oct‐2‐ulosonic acid (iminoKdo). The developed procedure enables the coupling of electron‐rich, electron‐deficient, and hindered arylthiols, providing a series of C3‐modified iminoKdo derivatives in moderate to good yields. Elucidation of active species through controlled experimental studies and time‐lapse 31P NMR analysis provides insights into the reaction mechanism. We demonstrate that, following a tandem Staudinger/aza‐Wittig reaction of an azido‐containing keto ester, an inseparable equimolar mixture of imine/enamine is formed. The enamine then undergoes a Stork‐like nucleophilic attack with the in situ‐formed disulfide reagent, resulting in the formation of the coupling products. Additionally, we describe a rarely reported acid‐promoted aromatization of the C3‐thioarylated iminoKdo skeleton into 3,6‐disubstituted picolinates, which are reminiscent of dichotomines.
Stabilization and One Electron Reduction of a Silicon Analogue of a Carboxylic Acid Anhydride
Authors: Jiang Yixiao , Yuvaraj K. , Rajeshkumar Thayalan , Feng Lim Li , Cox Nicholas , Maron Laurent , Jones Cameron
Published: December 2023

Reaction of the 1,2‐disilylenes {(DipArAm)Si}2 (DipArAm=[(NDip)2CAr]−, Dip=2,6‐diisopropylphenyl, Ar=4‐C6H4But (Ar’) 1 a or Ph 1 b) and two abnormal N‐heterocyclic silylenes, (DipArAm)SiOCSi{(NDip)2CAr} (Ar=Ar’ 3 a or Ph 3 b) with N2O led to formation of unprecedented examples of uncoordinated silicon analogues of carboxylic acid anhydrides, (DipArAm)(O=)SiOSi(=O)(DipArAm) (Ar=Ar’ 2 a or Ph 2 b). Both compounds have been fully characterized, and the mechanism of formation of one explored using DFT calculations. Reduction of sila‐acid anhydride 2 a with a dimagnesium(I) compound, [{(MesNacnac)Mg}2] (MesNacnac=[(MesNCMe)2CH]−, Mes=mesityl), led to the one‐electron reduction of the anhydride and formation of a magnesium complex of a sila‐acid anhydride radical anion [(MesNacnac)Mg{(OSi(DipAr’Am)}2O] 5. A combination of EPR spectroscopic studies and DFT calculations reveal the unpaired electron to largely reside on one of the amidinate ligands of the complex.
Photoredox‐Catalyzed Preparation of Sulfones Using Bis‐Piperidine Sulfur Dioxide – An Underutilized Reagent for SO2 Transfer
Authors: Griffiths Oliver M. , Esteves Henrique A. , Emmet Darcy C. , Ley Steven V.
Published: December 2023

Sulfonyl groups are widely observed in biologically relevant molecules and consequently, SO2 capture is an increasingly attractive method to prepare these sulfonyl‐containing compounds given the range of SO2‐surrogates now available as alternatives to using the neat gas. This, along with the advent of photoredox catalysis, has enabled mild radical capture of SO2 to emerge as an effective route to sulfonyl compounds. Here we report a photoredox‐catalyzed cross‐electrophile sulfonylation of aryl and alkyl bromides making use of a previously under‐used amine‐SO2 surrogate; bis(piperidine) sulfur dioxide (PIPSO). A broad selection of alkyl and aryl bromides were photocatalytically converted to their corresponding sulfinates and then trapped with various electrophiles in a one‐pot multistep procedure to prepare sulfones and sulfonamides.
Dynamic tuft cell expansion during gastric metaplasia and dysplasia
Authors: Jang Bogun , Kim Hyesung , Lee Su‐Hyung , Won Yoonkyung , Kaji Izumi , Coffey Robert J , Choi Eunyoung , Goldenring James R
Published: December 2023

Tuft cells are chemosensory cells associated with luminal homeostasis, immune response, and tumorigenesis in the gastrointestinal tract. We aimed to elucidate alterations in tuft cell populations during gastric atrophy and tumorigenesis in humans with correlative comparison to relevant mouse models. Tuft cell distribution was determined in human stomachs from organ donors and in gastric pathologies including Ménétrier's disease, Helicobacter pylori gastritis, intestinal metaplasia (IM), and gastric tumors. Tuft cell populations were examined in Lrig1‐KrasG12D, Mist1‐KrasG12D, and MT‐TGFα mice. Tuft cells were evenly distributed throughout the entire normal human stomach, primarily concentrated in the isthmal region in the fundus. Ménétrier's disease stomach showed increased tuft cells. Similarly, Lrig1‐Kras mice and mice overexpressing TGFα showed marked foveolar hyperplasia and expanded tuft cell populations. Human stomach with IM or dysplasia also showed increased tuft cell numbers. Similarly, Mist1‐Kras mice had increased numbers of tuft cells during metaplasia and dysplasia development. In human gastric cancers, tuft cells were rarely observed, but showed positive associations with well‐differentiated lesions. In mouse gastric cancer xenografts, tuft cells were restricted to dysplastic well‐differentiated mucinous cysts and were lost in less differentiated cancers. Taken together, tuft cell populations increased in atrophic human gastric pathologies, metaplasia, and dysplasia, but were decreased in gastric cancers. Similar findings were observed in mouse models, suggesting that, while tuft cells are associated with precancerous pathologies, their loss is most associated with the progression to invasive cancer.
Oral anticoagulant prescribing among patients with cancer and atrial fibrillation in England, 2009–2019
Authors: Ajabnoor Alyaa M. , Parisi Rosa , Zghebi Salwa S. , Ashcroft Darren M. , Faivre‐Finn Corinne , Morris Charlotte , Mamas Mamas A. , Kontopantelis Evangelos
Published: December 2023

Background

Anticoagulation of patients with atrial fibrillation (AF) and cancer is challenging because of their high risk for stroke and bleeding. Little is known of the variations of oral anticoagulant (OAC) prescribing in patients with AF with and without cancer.

Methods

Patients with first‐time AF during 2009–2019 from the Clinical Practice Research Datalink were included. Cancer diagnosis was defined as a history of breast, prostate, colorectal, lung, or hematological cancer. Competing‐risk analysis was used to assess the risk of OAC prescribing in patients with AF and cancer adjusted for clinical and sociodemographic factors.

Results

Of 177,065 patients with AF, 11.7% had cancer. Compared to patients without cancer, patients with cancer were less likely to receive OAC: prostate cancer (subhazard ratio [SHR], 0.95; 95% CI, 0.91–0.99), breast cancer (SHR, 0.93; 95% CI, 0.89–0.98), colorectal cancer (SHR, 0.93; 95% CI, 0.88–0.99), hematological cancer (SHR, 0.70; 95% CI, 0.65–0.75), and lung cancer (SHR, 0.44; 95% CI, 0.38–0.50). The cumulative incidence function (CIF) of OAC prescribing was lowest for patients with lung cancer and hematological cancer compared with patients without cancer. The difference between the CIF of OAC prescribing in patients with and without cancer becomes narrower in the most deprived areas. Elderly patients (aged ≥85 years) overall had the lowest CIF of OAC prescribing regardless of cancer status.

Conclusions

In patients with AF, underprescribing of OAC is independently associated with certain cancer types. Patients with hematological and lung cancer are the least likely to receive anticoagulation therapy compared with patients without cancer. Underprescribing of OAC in cancer is linked to old age. Further studies of patients with AF and cancer are warranted to assess the net clinical benefit of anticoagulation in certain cancer types.
Can end‐user feedback in social media be trusted for software evolution: Exploring and analyzing fake reviews
Authors: Khan Javed Ali , Ullah Tahir , Khan Arif Ali , Yasin Affan , Akbar Muhammad Azeem , Aurangzeb Khursheed
Published: December 2023

End‐user feedback in social media platforms, particularly in the app stores, is increasing exponentially with each passing day. Software researchers and vendors started to mine end‐user feedback by proposing text analytics methods and tools to extract useful information for software evolution and maintenance. In addition, research shows that positive feedback and high‐star app ratings attract more users and increase downloads. However, it emerged in the fake review market, where software vendors started incorporating fake reviews against their corresponding applications to improve overall software ratings. For this purpose, we conducted an exploratory study to understand how end‐users register and write fake reviews in the Google Play Store. We curated a research data set containing 68,000 end‐user comments from the Google Play Store and a fake review generator, that is, the Testimonial generator (TG). Its purpose is to understand fake reviews on these platforms and identify the common patterns potential end‐users and professionals use to report fake reviews by critically analyzing the end‐user feedback. We conducted a detailed survey at the University of Science and Technology Bannu, Pakistan, to identify the intelligence and accuracy of crowd‐users in manually identifying fake reviews. In addition, we developed a ground truth to be compared with the results obtained from the automated machine and deep learning (M&DL) classifier experiment. In the survey, 512 end‐users participated and recorded their responses in identifying fake reviews. Finally, various M&DL classifiers are employed to classify and identify end‐user reviews into real and fake to automate the process. Unlike humans, the M&DL classifiers performed well in automatically classifying reviews into real and fake by obtaining much higher accuracy, precision, recall, and f‐measures. The accuracy of manually identifying fake reviews by the crowd‐users is 44.4%. In contrast, the M&DL classifiers obtained an average accuracy of 96%. The experimental results obtained with various M&DL classifiers are encouraging. It is the first step towards identifying fake reviews in the app store by studying its implications in software and requirements engineering.
Understanding the Nature of Vibro‐Polaritonic States in Water and Heavy Water
Authors: Kadyan Akhila , Suresh Monu P. , Johns Ben , George Jino
Published: December 2023

Very recent experiments on vibrational strong coupling tend to modify chemical reactivity, energy transfer, and many other physical properties of the coupled system. This is achieved without external stimuli and is very sensitive to the vibrational envelope. Water is an excellent vibrational oscillator, which is being used for similar experiments. However, the inhomogeneously broad OH/OD stretching vibrational band make it complicated to characterize the vibro‐polaritonic states spectroscopically. In this paper, we performed vibrational strong coupling and mapped the evolution of vibro‐polaritonic branches from low to high concentration of H2O and measured the on‐set of strong coupling. The refractive index dispersion is correlated with the cavity tuning experiments. These results are further compared with transfer matrix simulations. Simulated data deviate as noted in the dispersion spectra as the system enters into ultra‐strong coupling due to enhanced self‐dipolar interactions. Hopfield coefficients calculation shows that even at ±400 cm−1 detuning, the vibro‐polaritonic states still possess hybrid characteristics. We systematically varied the concentration of H2O and mapped the weak, intermediate, and strong coupling regimes to understand the role of inhomogeneously broad OH/OD stretching vibrational band. Our finding may help to better understand the role of H2O/D2O strong coupling in the recent polaritonic chemistry experiments.
Assessment of Quinidine‐Induced Torsades de Pointes Risks Using a Whole‐Body Physiologically Based Pharmacokinetic Model Linked to Cardiac Ionic Current Inhibition
Authors: Zhang Zexin , Zhou Han , Yang Yiting , Liu Li , Liu Xiaodong
Published: December 2023

The lethality of torsades de pointes (TdP) by drugs is one of main reasons that some drugs were withdrawn from the market. In order to assess drug‐induced TdP risks, a model of cardiac ionic current suppression in human ventricular myocytes (ToR‐ORd model), combined with the maximum effective free therapeutic plasma concentration or the maximum effective free therapeutic myocyte concentration was often used, with the latter proved to be more relevant and more accurate. We aimed to develop a whole‐body physiologically‐based pharmacokinetic (PBPK) model, incorporated with a human cardiomyocyte pharmacodynamic (PD) model, to provide a comprehensive assessment of drug‐induced TdP risks in normal and specific scenarios. Quinidine served as an example to validate the PBPK‐PD model via predicting plasma quinidine concentrations and quinidine‐induced changes in QT interval (ΔQTc). The predicted plasma quinidine concentrations and ΔQTc values following oral administration or intravenous administration of quinidine were comparable to clinic observations. Visual predictive checks showed that most of the observed plasma concentrations and ΔQTc values fell within the 5th and 95th percentiles of simulations. The validated PBPK‐PD model was further applied to assess the TdP risks using frequencies of early afterdepolarization and long‐QT syndrome occurrence in 4 scenarios, such as therapeutic dose, supra‐therapeutic dose, alkalosis, and hyperkalemia in 200 human subjects. In conclusion, the developed PBPK‐PD model may be applied to predict the quinidine pharmacokinetics and quinidine‐induced TdP risks in healthy subjects, but also simulate quinidine‐induced TdP risks under disease conditions, such as hypokalemia and alkalosis.
“Environmental disclosure greenwashing” and corporate value: The premium effect and premium devalue of environmental information
Authors: Zhou Yiqiang , Chen Lianghua , Zhang Yan , Li Wan
Published: December 2023

Environmental disclosure is a crucial method for companies to demonstrate their environmental efforts. However, in some institutional contexts, companies may be inclined to “greenwash” their environmental disclosures, strategically seeking social rewards. Anchored on impression management theory, this study delves into the relationship between environmental disclosure and corporate value. The research substantiates the premium effect of environmental information while shedding light on the adverse impact of “environmental disclosure greenwashing” (EDG) on corporate value. Moreover, EDG leads to a further devaluation in the premium effect of environmental information. A more profound analysis reveals that the market trust acts as the mediating mechanism in the premium devaluation effect caused by EDG. Notably, when information user capability and media attention are scrutinized as distinct groups, the impact of EDG displays pronounced heterogeneity. These findings provide a theoretical foundation for verifying the authenticity of corporate environmental disclosures. Additionally, they offer valuable policy insights for rectifying EDG practices and enhancing environmental disclosure mechanisms.
Organic Electrode Materials for Dual‐Ion Batteries
Authors: Tong Yuhao , Wei Yuan , Song Ajing , Ma Yuanyuan , Yang Jianping
Published: December 2023

Organic materials are widely used in various energy storage devices due to their renewable, environmental friendliness and adjustable structure. Dual‐ion batteries (DIBs), which use organic materials as the electrodes, are an attractive alternative to conventional lithium‐ion batteries for sustainable energy storage devices owing to the advantages of low cost, environmental friendliness, and high operating voltage. To date, various organic electrode materials have been applied in DIBs. In this review, we present the development of DIBs with a following brief introduction of characteristics and mechanisms of organic materials. The latest progress in the application of organic materials as anode and cathode materials for DIBs is mainly reviewed. Finally, we also discussed the challenges and prospects of organic electrode materials for DIBs.
Transcription factor 12‐mediated self‐feedback regulatory mechanism is required in DUX4 fusion leukaemia
Authors: Li Zhihui , Jiang Minghao , Wang Junfei , Zhuo Zhiyi , Zhang Shiyan , Tan Yangxia , Hu Weiguo , Zhang Hao , Meng Guoyu
Published: December 2023

Background

IGH::DUX4 is frequently observed in 4% B‐cell acute lymphoblastic leukaemia patients. Regarding the IGH::DUX4‐driven transactivation and alternative splicing, which are the main reasons behind this acute leukaemia outbreak, it remains unclear how transcriptional cofactors contribute to this oncogenic process. Further investigation is required to elucidate their specific role in leukaemogenesis.

Methods

In order to investigate the cofactors of IGH::DUX4, integrated mining of Chromatin immunoprecipitation (ChIP)‐sequencing and RNA‐sequencing of leukaemia cells and patient samples were conducted. Furthermore, to elucidate the synergistic interaction between transcription factor 12 (TCF12) and IGH::DUX4, knockdown and knockout experiment, mammalian two‐hybridisation assay, co‐immunoprecipitation and in situ proximity ligation assays were carried out. Additionally, to further investigate the direct interaction between TCF12 and IGH::DUX4, AI‐based structural simulations were utilised. Finally, to validate the synergistic role of TCF12 in promoting IGH::DUX4 leukaemia, cell proliferation, apoptosis and drug sensitivity experiments were performed.

Results

In this study, we observed that the IGH::DUX4 target gene TCF12 might be an important cofactor/helper for this oncogenic driver. The co‐expression of IGH::DUX4 and TCF12 resulted in enhanced DUX4‐driven transactivation. Supportively, knockdown and knockout of TCF12 significantly reduced expression of IGH::DUX4‐driven target genes in leukaemia REH (a precursor B‐cell leukaemia cell line) and NALM‐6 cells (a precursor B‐cell leukaemia cell line). Consistently, in TCF12 knockout cells, the expression of structure‐based TCF12 mutant, but not wild‐type TCF12, failed to restore the TCF12–IGH::DUX4 crosstalk and the synergistic transactivation. More importantly, the breakdown in TCF12–IGH::DUX4 cooperation impaired IGH::DUX4‐driven leukaemia cell survival, caused sensitivity to the chemotherapy.

Conclusions

Altogether, these results helped to define a previously unrecognised TCF12‐mediated positive self‐feedback regulatory mechanism in IGH::DUX4 leukaemia, which holds the potential to function as a pivotal drug target for the management of this particular form of leukaemia.

Highlights

Transcription factor 12 (TCF12) is a new novel cofactor in IGH::DUX4 transcriptional complexes/machinery.

TCF12 mediates a positive self‐feedback regulatory mechanism in IGH::DUX4‐driven oncogenic transaction.

IGH::DUX4–TCF12 structure/cooperation might represent a potent target/direction in future drug design against B‐cell acute lymphoblastic leukaemia.