bluuebunny/crossref_metadata_2025 huggingface dataset:
Hierarchical Serpentine‐Helix Combination for 3D Stretchable Electronics
Authors: Yan Zhuocheng , Liu Yuting , Xiong Jian , Wang Bin , Dai Lingliang , Gao Min , Pan Taisong , Yang Weiqing , Lin Yuan
Published: March 2023

3D stretchable electronics attract growing interest due to their new and more complex functionalities compared to 1D or 2D counterparts. Among all 3D configuration designs, a 3D helical structure is commonly used as it can be designed to achieve outstanding stretching ratios as well as highly robust mechanical performance. However, the stretching ratio that mainly focuses on the axis direction hinders its applications. Inspired by hierarchies in a tendon, a novel structural design of hierarchical 3D serpentine‐helix combination is proposed. The structural design constructed by a sequence with repeating small units winding in a helical manner around the axis can enable large mechanical forces transferred down to a smaller scale with the dissipation of potentially damaging stresses by microscale buckling, thereby endowing the electronic components made from high‐performance but hard‐to‐stretch materials with large stretchability (≥200%) in x‐, y‐, or z‐axis direction, high structural stability, and extraordinary electromechanical performance. Two applications including a wireless charging patch and an epidermal electronic system are demonstrated. The epidermal electronic system made of several hierarchical 3D serpentine‐helix combinations allows for high‐fidelity monitoring of electrophysiological signals, galvanic skin response, and finger‐movement‐induced electrical signals, which can achieve good tactile pattern recognition when combined with an artificial neural network.
Room‐Temperature Magnetism in 2D MnGa4‐H Induced by Hydrogen Insertion
Authors: Wei Nan , He Liangcheng , Wu Changwei , Lu Dabiao , Li Ruohan , Shi Haiwen , Lan Haihui , Wen Yao , He Jun , Long Youwen , Wang Xiao , Zeng Mengqi , Fu Lei
Published: March 2023

2D room‐temperature magnetic materials are of great importance in future spintronic devices while only very few are reported. Herein, a plasma‐enhanced chemical vapor deposition approach is exploited to construct the 2D room‐temperature magnetic MnGa4‐H single crystal with a thickness down to 2.2 nm. The employment of H2 plasma makes hydrogen atoms can be easily inserted into the MnGa4 lattice to modulate the atomic distance and charge state, thereby ferrimagnetism can be achieved without destroying the structural configuration. The as‐obtained 2D MnGa4‐H crystal is high‐quality, air‐stable, and thermo‐stable, demonstrating robust and stable room‐temperature magnetism with a high Curie temperature above 620 K. This work enriches the 2D room‐temperature magnetic family and opens up the possibility for the development of spintronic devices based on 2D magnetic alloys.
Realizing Photoswitchable Mechanoluminescence in Organic Crystals Based on Photochromism
Authors: Xie Zongliang , Zhang Xiayu , Xiao Yuxin , Wang Hailan , Shen Mingyao , Zhang Simin , Sun Haodong , Huang Rongjuan , Yu Tao , Huang Wei
Published: March 2023

Organic mechanoluminescent (ML) materials possessing photophysical properties that are sensitive to multiple external stimuli have shown great potential in many fields, including optic and sensing. Particularly, the photoswitchable ML property for these materials is fundamental to their applications but remains a formidable challenge. Herein, photoswitchable ML is successfully realized by endowing reversible photochromic properties to an ML molecule, namely 2‐(1,2,2‐triphenylvinyl) fluoropyridine (o‐TPF). o‐TPF shows both high‐contrast photochromism with a distinct color change from white to purplish red, as well as bright blue ML (λML = 453 nm). The ML property can be repeatedly switched between ON and OFF states under alternate UV and visible light irradiation. Impressively, the photoswitchable ML is of high stability and repeatability. The ML can be reversibly switched on and off by conducting alternate UV and visible light irradiation in cycles under ambient conditions. Experimental results and theoretical calculations reveal that the change of dipole moment of o‐TPF during the photochromic process is responsible for the photoswitchable ML. These results outline a fundamental strategy to achieve for the control of organic ML and pave the way to the development of expanded smart luminescent materials and their applications.
An investigation of Solid‐State Emission of Halogenated Diphenyl Phosphanyl Anthracenes
Authors: Patten Tim , Graw Nico , Friedl Sebastian , Stalke Dietmar , Krawczuk Anna
Published: March 2023

In today's world, the development and research of optoelectronic materials and devices based on solid‐state luminescence is essential. Due to their versatile application possibilities, e.g. as light‐emitting diodes or lasers, they are already indispensable. This work presents three halogenated anthracene derivatives [9‐PPh2‐10‐X‐(C14H8)] and their respective photoluminescent behavior in solution and in the solid state. The formation of halogen–π interactions in the solid state leads to unanticipated luminescence properties for the chlorinated species, resulting in a strong bathochromic shift, green fluorescence and a longer lifetime. In contrast, the other two derivatives, which in turn form only weak π–π interactions due to a small overlap of the anthracene rings, barely change their luminescence behavior in the solid state. By employing additional charge density studies, the structure–property correlation is also investigated. In particular, focus is given to halogen bonding and halogen–π interactions and their influence on photophysical properties of the studied compounds. Through the new knowledge gained, this study will help in the future development and selective application of the photophysical properties of solid‐state luminescent materials.
Design and Polarization Control of the Modal Splitting in Hybrid Anisotropic Nanocavities
Authors: Patra Aniket , Pothuraju Renuka Devi , De Dhananjoy , Caligiuri Vincenzo , Vijaya R. , De Luca Antonio , Krahne Roman
Published: March 2023

The strong coupling of optical resonators results in a mode splitting proportional to the coupling strength, which can be achieved with metal‐dielectric‐metal (MDM) cavities that have similar thickness and refractive index. However, an active control of the mode coupling is challenging. Here, an alternative configuration of an MDM cavity coupled with a Guided‐Mode‐Resonator (GMR) is explored. The GMR grating is fabricated on top of the MDM cavity, such that the coupling can be tuned by the thickness of the central metal. The typical modal anti‐crossing (with a splitting of ≈50–65 meV) detected in the angular dispersion of the GMR‐MDM is observed. Excellent agreement of the experimental reflectance with simulations allows to report the angular dispersion from −50° to 50°. The anisotropy of the GMR modes enables to switch in and out of the strong coupling by changing the polarization of the incident light. Moreover, the asymmetry of the GMR‐MDM architecture induces a side‐dependent response. The MDM cavity is only transparent at its resonances, which leads to a suppression of all modes outside the resonance bands when impinging from the MDM side. These features are highly interesting for optoelectronic applications such as optical switches and multi‐level optical multiplexing.
Electronic Conductivity of Lithium Solid Electrolytes
Authors: Shao Bowen , Huang Yonglin , Han Fudong
Published: March 2023

While significant efforts are being devoted to improving the ionic conductivity of lithium solid electrolytes (SEs), electronic transport, which has an important role in the calendar life, energy density, and cycling stability of solid‐state batteries (SSBs), is rarely studied. Here, the electronic conductivities of three representative SEs, including Li3PS4, Li7La3Zr2O12, and Li3YCl6, are reported. It is reported that the electronic conductivities of SEs are overestimated from the conventional measurements. By revisiting direct current polarizations using two‐blocking‐electrode cells and the Hebb‐Wagner approach, their sources of inaccuracy are provided and the anodic decomposition of SE is highlighted as the key source for the overestimated result. Modifications in the electrode selection and data interpretation are also proposed to approach the intrinsic electronic conductivity of SEs. A two‐step polarization method is also proposed to estimate the electronic conductivity of sulfides that decompose during measurement. Measured by the modified approach, the electronic conductivities of all SEs are one or two orders of magnitude lower than the reported value. Despite that, the electronic conductivity of sulfides seems to be still quite high to enable SSBs with a long calendar life of >10 years, highlighting the critical need for a more careful study of electronic transport in lithium SEs.
Organic amendments effects on soil aggregation and carbon sequestration in saline‐alkaline croplands in China
Authors: Zhang Yuexian , Li Fei , Lu Zhanyuan , Pei Zhifu , Zhao Huixin , Shen Qinguo , Hong Mei
Published: March 2023

Saline‐alkaline soils are wide‐spread and approximately 6.5% of the world's land area is reported as being saline and sodic. Increasing soil organic carbon (SOC) concentration and aggregate stability in saline‐alkaline soils has been challenging due to the deleterious effects of soil salinity and sodicity. To address this issue, a 2‐year filed experiment was conducted to evaluate the effects of biochar (BC), farmyard manure (FM), corn straw (CS), and sheep manure (SM) in combination of chemical fertilizer (CK) on soil aggregation and C sequestration in mildly and moderately alkaline soils in Hetao Irrigation District, China. For mildly alkaline soil, the proportion of macroaggregates (>0.25 mm) was significantly higher under FM, CS, and SM (34.6%–51.2%) compared with CK (13.2%). The mean weight diameter (MWD) and geometric mean diameter (GMD) of water‐stable aggregates significantly increased under FM, CS, and SM by an average of 172.7% and 58.7% over CK. In addition, FM, CS, and SM enhanced the distribution of organic carbon (OC) in macroaggregates (>0.25 mm) and accelerated the accumulation of particulate organic matter within macroaggregates. Treatment BC enhanced OC distribution in microaggregates (0.053–0.25 mm) and exhibited a 7.40 g kg−1 SOC content, followed by SM and FM which exhibited SOC contents of 7.10 and 6.76 g kg−1. For moderately alkaline soil, data obtained in this study showed a slight influence from organic amendments on soil aggregates and C sequestration, suggesting that the moderately alkaline soil was not as sensitive to organic amendments as the mildly alkaline soil. Overall, the results of this study demonstrated that FM and SM combined with chemical fertilizer were the top organic amendments to improve soil aggregation and C sequestration in the mildly alkaline soil but not the moderately alkaline soil over the short term.
Nickel‐Catalyzed Sulfonylation of Aryl Bromides Enabled by Potassium Metabisulfite as a Uniquely Effective SO2 Surrogate
Authors: Hethcox J. Caleb , Johnson Heather C. , Kim Jungchul , Wang Xiao , Cheng Lili , Cao Yang , Tan Melissa , DiRocco Daniel A. , Ji Yining
Published: March 2023

The development and mechanistic investigation of a nickel‐catalyzed sulfonylation of aryl bromides is disclosed. The reaction proceeds in good yields for a variety of substrates and utilizes an inexpensive, stench‐free, inorganic sulfur salt (K2S2O5) as a uniquely effective SO2 surrogate. The active oxidative addition complex was synthesized, isolated, and fully characterized by a combination of NMR spectroscopy and X‐ray crystallography analysis. The use of the isolated oxidative addition complex in both stoichiometric and catalytic reactions revealed that SO2 insertion occurs via dissolved SO2, likely released upon thermal decomposition of K2S2O5. Key to the success of the reaction is the role of K2S2O5 as a reservoir of SO2 that is slowly released, thus preventing catalyst poisoning.
Metal‐Organic Framework Supported Copper Photoredox Catalysts for Iminyl Radical‐Mediated Reactions
Authors: Ma Ben , Xia Qi , Wang Deyang , Jin Ji‐Kang , Li Zekun , Liang Qiu‐Jiang , Sun Meng‐Ying , Liu Dongyi , Liu Li‐Juan , Shu Hui‐Xing , Yang Jun , Li Dan , He Jian
Published: March 2023

Visible‐light copper photocatalysis has recently emerged as a viable technology for building sustainable synthetic processes. To broaden the applications of phosphine‐ligated copper(I) complexes, we describe herein an effective metal‐organic framework (MOF)‐supported copper(I) photocatalyst for multiple iminyl radical‐mediated reactions. Due to site isolation, the heterogenized copper photosensitizer has a significantly higher catalytic activity than its homogeneous counterpart. Using a hydroxamic acid linker to immobilize copper species on MOF supports affords the heterogeneous catalysts with high recyclability. The post‐synthetic modification sequence on MOF surfaces allows for the preparation of previously unavailable monomeric copper species. Our findings highlight the potential of using MOF‐based heterogeneous catalytic systems to address fundamental challenges in the development of synthetic methodologies and mechanistic investigations of transition‐metal photoredox catalysis.
Catalytic Chemo‐ and Regioselective Radical Carbocyanation of 2‐Azadienes for the Synthesis of α‐Amino Nitriles
Authors: Duan Shengzu , Du Ya , Wang Lingling , Tian Xun , Zi Yujin , Zhang Hongbin , Walsh Patrick J. , Yang Xiaodong
Published: March 2023

α‐Amino nitriles are versatile structural motifs in a variety of biologically active compounds and pharmaceuticals and they serve as valuable building blocks in synthesis. The preparation of α‐ and β‐functionalized α‐amino nitriles from readily available scaffolds, however, remains challenging. Herein is reported a novel dual catalytic photoredox/copper‐catalyzed chemo‐ and regioselective radical carbocyanation of 2‐azadienes to access functionalized α‐amino nitriles by using redox‐active esters (RAEs) and trimethylsilyl cyanide. This cascade process employs a broad scope of RAEs and provides the corresponding α‐amino nitrile building blocks in 50–95 % yields (51 examples, regioselectivity >95 : 5). The products were transformed into prized α‐amino nitriles and α‐amino acids. Mechanistic studies suggest a radical cascade coupling process.
From Dinitrogen to N‐Containing Organic Compounds: Using Li2CN2 as a Synthon
Authors: Wu Li‐Jun , Wang Qianru , Guo Jianping , Wei Junnian , Chen Ping , Xi Zhenfeng
Published: March 2023

Through the synergies of a heterogeneous synthetic approach and a homogeneous synthetic methodology, N‐containing organic compounds can be synthesized via activated N‐containing species prepared from N2 gas and suitable carbon sources. From N2, carbon, and LiH, we have previously succeeded in the high‐yield preparation of Li2CN2 as the activated N‐containing species. In this work, we applied Li2CN2 as a novel synthetic synthon for constructing N‐containing organic compounds. A series of reaction models, including a substitution reaction, cycloaddition reaction, and transition metal‐catalyzed coupling reaction, were successfully performed using Li2CN2 under mild conditions. Various valuable cyanamides, carbodiimides, N‐aryl cyanamides and 1,2,4‐triazole derivatives were readily synthesized in moderate to excellent yields. With this method, the 15N‐labeled products, including oxazolidine derivatives with anti‐cancer activity, could also be facilely prepared from 15N2 gas.
Controlled Deformation of Soft Nanogel Particles Generates Artificial Biominerals with Ordered Internal Structure
Authors: Dong Yingxiang , Chi Jialin , Ren Zelun , Xiong Biao , Liu Ziqing , Zhang Wenjun , Wang Lijun , Fujii Syuji , Armes Steven P. , Ning Yin
Published: March 2023

Biominerals can exhibit exceptional mechanical properties owing to their hierarchically‐ordered organic/inorganic nanocomposite structure. However, synthetic routes to oriented artificial biominerals of comparable complexity remain a formidable technical challenge. Herein we design a series of soft, deformable nanogels that are employed as particulate additives to prepare nanogel@calcite nanocomposite crystals. Remarkably, such nanogels undergo a significant morphological change—from spherical to pseudo‐hemispherical—depending on their degree of cross‐linking. This deformation occurs normal to the growth direction of the (104) face of the calcite and the underlying occlusion mechanism is revealed by in situ atomic force microscopy studies. This model system provides new mechanistic insights regarding the formation of oriented structures during biomineralization and offers new avenues for the design of synthetic nanocomposites comprising aligned anisotropic nanoparticles.
Chiral Supramolecular Multiblock Copolymerization Accompanying Chirality Transfer in Heterostructures via Living Chain Growth
Authors: Oh Jeong Sang , Kim Ka Young , Kim Minhye , Kim Sukyoung , Jung Sung Ho , Jung Jong Hwa
Published: March 2023

We report the unique synthesis of chiral supramolecular tri‐ and penta‐BCPs with controllable chirality using kinetically adjusted seeded supramolecular copolymerization in THF and DMSO (99 : 1, v/v). Tetraphenylethylene (d‐ and l‐TPE) derivatives bearing d‐ and l‐alanine side chains formed thermodynamically favored chiral products via a kinetically trapped in monomeric state with a long lag phase. In contrast, achiral TPE‐G containing glycine moieties did not form a supramolecular polymer owing to the energy barrier in its kinetically trapped state. We show that the copolymerization of the metastable states of TPE‐G not only enables the generation of supramolecular BCPs by the seeded living growth method, but also transfers chirality at the seed ends. This research demonstrates the generation of chiral supramolecular tri‐ and penta‐BCPs with B‐A‐B, A‐B‐A‐B‐A, and C‐B‐A‐B‐C block patterns accompanying chirality transfer via seeded living polymerization.
Reticular Chemistry‐Enabled Sonodynamic Activity of Covalent Organic Frameworks for Nanodynamic Cancer Therapy
Authors: Duan Yanqiu , Yu Yang , Liu Peilai , Gao Yao , Dai Xinyue , Zhang Liang , Chen Liang , Chen Yu
Published: March 2023

The development of covalent organic framework (COF) sonosensitizers with intrinsic sonodynamic effects is highly desirable. However, such COFs are generally constructed using small‐molecule photosensitizers. Herein, we report that the reticular chemistry‐based synthesis of COFs from two inert monomers yields a COF‐based sonosensitizer (TPE‐NN) with inherent sonodynamic activity. Subsequently, a nanoscale COF TPE‐NN is fabricated and embedded with copper (Cu)‐coordinated sites to obtain TPE‐NN‐Cu. Results show that Cu coordination can enhance the sonodynamic effect of TPE‐NN, whereas ultrasound (US) irradiation for sonodynamic therapy can augment the chemodynamic efficacy of TPE‐NN‐Cu. Consequently, TPE‐NN‐Cu upon US irradiation shows high‐performance anticancer effects based on mutually reinforced sono‐/chemo‐nanodynamic therapy. This study reveals the backbone‐originated sonodynamic activity of COFs and proposes a paradigm of intrinsic COF sonosensitizers for nanodynamic therapy.
Investigating the quadrupedal abilities of Scutellosaurus lawleri and its implications for locomotor behavior evolution among dinosaurs
Authors: Anderson Lilian , Brassey Charlotte , Pond Stuart , Bates Karl , Sellers William Irvin
Published: March 2023

A reversion to secondary quadrupedality is exceptionally rare in nature, yet the convergent re‐evolution of this locomotor style occurred at least four separate times within Dinosauria. Facultative quadrupedality, an intermediate state between obligate bipedality and obligate quadrupedality, may have been an important transitional step in this locomotor shift, and is proposed for a range of basal ornithischians and sauropodomorphs. Advances in virtual biomechanical modeling and simulation have allowed for the investigation of limb anatomy and function in a range of extinct dinosaurian species, yet this technique has not been widely applied to explore facultatively quadrupedal gait generation. This study places its focus on Scutellosaurus, a basal thyreophoran that has previously been described as both an obligate biped and a facultative quadruped. The functional anatomy of the musculoskeletal system (myology, mass properties, and joint ranges of motion) has been reconstructed using extant phylogenetic bracketing and comparative anatomical datasets. This information was used to create a multi‐body dynamic locomotor simulation that demonstrates that whil quadrupedal gaits were physically possible, they did not outperform bipedal gaits is any tested metric. Scutellosaurus cannot therefore be described as an obligate biped, but we would predict its use of quadrupedality would be very rare, and perhaps restricted to specific activities such as foraging. This finding suggests that basal thyreophorans are still overwhelmingly bipedal but is perhaps indicative of an adaptive pathway for later evolution of quadrupedality.
Ezh2 Knockout in B Cells Impairs Plasmablast Differentiation and Ameliorates Lupus‐like Disease in MRL/lpr Mice
Authors: Zheng Xiaoqing , Dozmorov Mikhail G. , Strohlein Colleen E. , Bastacky Sheldon , Sawalha Amr H.
Published: March 2023

Objectives

EZH2 regulates B cell development and differentiation. We previously demonstrated increased EZH2 expression in peripheral blood mononuclear cells from lupus patients. The goal of this study was to evaluate the role of EZH2 expression in B cells in the pathogenesis of lupus.

Methods

We generated an MRL/lpr mouse with floxed Ezh2, which was crossed with CD19‐Cre mice to examine the effect of B cell EZH2 deficiency in MRL/lpr lupus‐prone mice. Differentiation of B cells was assessed using flow cytometry. Single‐cell RNA sequencing and single‐cell B cell receptor sequencing were performed. In vitro B cell culture with an X‐box binding protein 1 (XBP1) inhibitor was performed. EZH2 and XBP1 messenger RNA levels in CD19+ B cells isolated from lupus patients and healthy controls were analyzed.

Results

We show that Ezh2 deletion in B cells significantly decreased autoantibody production and improved glomerulonephritis. B cell development was altered in the bone marrow and spleen of EZH2‐deficient mice. Differentiation of germinal center B cells and plasmablasts was impaired. Single‐cell RNA sequencing showed that XBP1, a key transcription factor in B cell development, is down‐regulated in the absence of EZH2. Inhibiting XBP1 in vitro impairs plasmablast development similar to EZH2 deficiency in mice. Single‐cell B cell receptor RNA sequencing revealed defective immunoglobulin class‐switch recombination in EZH2‐deficient mice. In human lupus B cells, we observed a strong correlation between EZH2 and XBP1 messenger RNA expression levels.

Conclusion

EZH2 overexpression in B cells contributes to disease pathogenesis in lupus.

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Three‐time scale multi‐objective optimal PID control with filter design
Authors: Aafaque Muhammad , Boker Almuatazbellah , Sardahi Yousef
Published: March 2023

This paper presents the design of a multi‐objective PID (proportional, integral, and derivative) controller in three time scales for a system with load disturbances and sensor noise. The key to this design method is to divide the problem into three time scales by following a singular perturbation approach, which allows for the optimization of fewer parameters in each time scale instead of all the three PID gains at once, hence less computation and design effort. The optimization objectives are the minimization of the overshoot and peak time and the maximization of the closed‐loop system's ability to reject noise and load disturbances. The impact of the integral action and filter on the optimal results is investigated by tuning the singular perturbation parameters. The obtained results show that the performance of the closed‐loop system recovers the optimal solution, which is based on the fast subsystem, as the singular perturbation parameters get sufficiently small.
Die Güßbacher Welle – Eine innovative Stahlverbundbrücke mit asymmetrischem Trogquerschnitt in Wellenform
Authors: Jung Rolf , Wagner Markus , Lauterbach Volker
Published: March 2023

Für den Ersatzneubau der Überführung der Bundesautobahn A73 über die ICE‐Ausbaustrecke Nürnberg–Ebensfeld und die Bundesstraße 4 wurde ein innovativer Lösungsansatz mit unterschiedlich geformten Tragebenen gewählt. Die beiden äußeren Träger werden dabei als Doppelwelle ausgeführt – die mittleren Tragebenen als Monowelle optisch zu einer Einheit verbunden. Das Bauwerk bildet ein Merkzeichen und hält sich dennoch in der Erscheinung zurück. In Kombination mit den gläsernen Schutzwänden auf den äußeren Trägern ergibt sich ein elegantes Wellenspiel, welches ein Alleinstellungsmerkmal darstellt und sich wie selbstverständlich in die Landschaft einfügt.
Drei Fußgängerbrücken für China
Authors: Sommer David , Plieninger Sven
Published: March 2023

Die weltweit am häufigsten publizierten Brücken Chinas bestechen meist durch atemberaubende Größe, symbolhafte Entwurfskonzepte oder waghalsige touristische Attraktionszwecke. Brücken mit Glasböden über tiefe Schluchten oder Skybridges zwischen Hochhäusern sind Anziehungspunkte für uns in Europa unbekannte touristische Massenbewegungen. Der Brückenbau in China als wichtiger Teil einer riesigen Infrastruktur hat neben diesen Prestigeprojekten eine Vielzahl an weniger bekannten, gleichwohl interessanten und innovativen Brücken vorzuweisen. Dieser Beitrag stellt drei Fußgängerbrücken vor, die in den letzten Jahren vom Büro schlaich bergermann partner in China geplant und gebaut wurden, und beschreibt die hierbei erlebten und beobachteten Besonderheiten.
Green intellectual capital and green business strategy: The role of green absorptive capacity
Authors: Begum Saira , Ashfaq Muhammad , Asiaei Kaveh , Shahzad Khuram
Published: March 2023

This study builds on the natural resource‐based view to propose a mediation moderation framework by exploring the influence of green intellectual capital (GIC) on green business strategy through the mediating and moderating impact of green absorptive capacity (GAC) and corporate environmental ethics (CEE), respectively. The data were collected from 268 participants from large manufacturing industries in Pakistan to test the suggested model and analyzed using structural equation modeling (variance‐based). The findings show that GIC positively influences GAC and green business strategy in organizations. The results further indicate that the relationship between GIC and green business strategy is mediated and moderated by GAC and CEE. Moreover, a multi‐group analysis (MGA) shows no statistically significant differences across the industry groups. These results reveal the theoretical underpinning for environmental business strategy and provide a deep understanding of knowledge‐based resources and environmental regulations as important antecedents of green business strategy in manufacturing firms.
Review recent rulings involving employee accommodations
Authors: Lyerly Eric
Published: March 2023

An overview of the key topics faced by higher education administrators with citations to noteworthy cases, statutes, regulations, and additional sources.
A New Monoterpene Alkaloid from Incarvillea sinensis with Migration Inhibitory Activity on Cancer Cell
Authors: Song Weirong , Zhang Jie , Zhao Pengxiang , Huang Yongchun , Zhang Shoude
Published: March 2023

A novel monoterpene alkaloid, named incarvine G, was isolated from the Incarvillea sinensis Lam. Its chemical structure was elucidated using comprehensive spectroscopic methods. Incarvine G is an ester compound comprised of a monoterpene alkaloid and glucose. This compound showed evident inhibition on cell migration, invasion, and cytoskeleton formation of human MDA‐MB‐231 with low cytotoxicity.
Selective Valorization of Bio‐derived Levulinic Acid and Its Derivatives into Hydrocarbons and Biochemicals by Using Hydrosilylation
Authors: Garg Nitish K. , Tan Mattias , Johnson Magnus T. , Wendt Ola F.
Published: March 2023

Herein we report an efficient hydrosilylation strategy to selectively defunctionalize biomass‐derived levulinic acid into value‐added chemicals such as pentane‐1,4‐diol, pentan‐2‐ol, 2‐MTHF and C5 hydrocarbons by using cost‐effective silanes and the commercially available catalyst B(C6F5)3 at room temperature. All reactions work well in chlorinated solvents but, as a greener alternative, most reactions can be run in toluene or solvent‐less.
A BF2 Chelate Exhibiting Excimer‐like Fluorescence with an Unusually Large Stokes Shift in the Crystalline Phase
Authors: Bozdemir Özgür Altan , Woodford Owen J. , Waddell Paul G. , Harriman Anthony
Published: March 2023

The target mono‐BF2 complex is weakly emissive in fluid solution because radiationless decay of the excited‐singlet state is promoted through an intramolecular N⋅⋅⋅H−N hydrogen bond. The lack of mirror symmetry for this compound is attributed to vibronic effects, as reported previously for the bis‐BF2 complex (BOPHY). Red‐shifted fluorescence is observed from single crystals, the emission quantum yield approaching 30 % with a fluorescence lifetime of 2 ns. The large Stokes shift of 5,700 cm−1 helps minimize self‐absorption. Crystallography indicates that the internal fold and twist angles are increased substantially in the crystal, but the hydrogen bond is weakened relative to solution. The crystal structure is compiled from pairs of head‐to‐tail molecules having a shift of ca. 4.1 Å and closest approach of ca. 3.5 Å. These molecular pairs are arranged in columns, which, in turn, assemble into sheets. The proximity favors excitonic coupling between individual molecules, with the coupling strength obtained by analysis of the absorption spectrum reaching ca. 1,000 cm−1. Both the ideal dipole approximation and the extended dipole methodology seriously overestimate the coupling strength, but the atomic transition charge density procedure leads to good agreement with experiment. Emission is attributed to the closely coupled molecular pair functioning in an excimer‐like manner with the exciton trapped in a local minimum. Increasing temperature causes a slight blue shift and loss of fluorescence.
Use of Conglomerate Mixed Crystals to Deracemize a Stable Racemic‐Compound‐Forming System
Authors: Pinètre Clément , Gendron François‐Xavier , Kuroda Reiko , Oketani Ryusei , Aupetit Christian , Buffeteau Thierry , Coquerel Gérard
Published: March 2023

Deracemization extended to racemic‐compound‐forming systems is demonstrated. We present here the first results of an alternative for the resolution of systems that exhibit a stable racemic compound but also a closely related conglomerate‐forming system. If the couples of enantiomers forming the racemic compound and the enantiomers of the stable conglomerate can syncrystallize in mirror‐related partial solid solutions, it is possible to deracemize the racemic mixture of mixed crystals to access to a single handedness. The evidence for this possibility is given in three examples by using temperature‐cycling‐induced deracemization.
Spin polarization through axially chiral linkers: Length dependence and correlation with the dissymmetry factor
Authors: Amsallem Dana , Kumar Anil , Naaman Ron , Gidron Ori
Published: March 2023

The chiral‐induced spin selectivity (CISS) effect relates to the spin‐selective electron transport through chiral molecules; therefore, the chiral molecules act as spin filters. In past studies, correlation was found between the magnitude of the spin filtering and the intensity of the circular dichroism (CD) spectrum (the first Compton peak) of the molecules. Since the intensity of the CD peak relates to both the magnitude of the electric and magnetic dipole transitions, it was not clear which of these properties correlate with the CISS effect. This work aims at addressing this question. By studying the spin‐dependent conduction and the CD spectra of the thiol‐functionalized enantiopure binaphthalene (BINAP) and ternaphthalene (TERNAP), we found that both BINAP and TERNAP exhibit a similar spin polarization of 50%, despite the first Compton peak in TERNAP being almost twice as intense as the peak in BINAP. These results can be explained by the similar values of their anisotropy (or dissymmetry) factor, gabs, which is proportional to the magnetic transition dipole moment. Hence, we concluded that the CISS effect is proportional to the transition dipole moment in chiral molecules, namely, to the dissymmetry factor.
Elektrolyse von ‘Wasser'. Echt jetzt?
Authors: Emden Markus , Hild Pitt , Kallinna Kirsten , Löffel Thomas , Murer Livia
Published: March 2023

Anliegen der in loser Folge erscheinenden Versuche ist es, Impulse für chemische Versuche zu geben, die gefahrlos zu Hause mit haushaltsüblichen Gegenständen durchgeführt werden können. Sie können damit als Quelle für das gemeinsame Ausprobieren mit Kindern dienen, z. B. in Kindergärten oder an Schulen sowie zur Verwendung bei Tagen der offenen Tür. Ein Stückweit sind sie zu verstehen als Antwort auf den oft gehörten Satz: „Ach, Du bist Chemiker/in? Dann mach doch mal eben ein Experiment.“
Guiding atrial fibrillation ablation combined with left atrial appendage occlusion procedure by fluoroscopy with or without transesophageal echocardiography achieved comparable outcomes
Authors: Meng Weilun , Li Xiang , Ren Zhongyuan , Zheng Yixing , Zhang Jingying , Yang Haotian , Guo Rong , Li Hailing , Zhang Jun , Wang Yiqian , Jia Peng , Zhao Dongdong , Xu Yawei
Published: March 2023

Background

Atrial fibrillation (AF) is the most common arrhythmia and can be treated with catheter ablation (CA) combined with left atrial appendage occlusion (LAAO). The study is designed to compare the safety and efficacy of guiding the combined procedure by digital subtraction angiography (DSA) with or without transesophageal echocardiography (TEE).

Methods

From February 2019 to December 2020, 138 patients with nonvalvular AF who underwent CA combined with LAAO procedure were consecutively included, and two cohorts were built according to intraprocedural guidance (DSA or DSA with TEE). Periprocedural and follow‐up outcomes were compared with investigate the feasibility and safety between the two cohorts.

Results

71 patients and 67 patients were included in the DSA cohort and TEE cohort, respectively. Age and gender were comparable, despite the TEE cohort having a higher proportion of persistent AF (37 [55.2%] vs. 26 [36.6%]) and hemorrhage history (9 [13.4%] vs. 0). The procedure time of the DSA cohort was significantly reduced (95.7 ± 27.6 vs. 108.9 ± 30.3 min, p = .018), with a nonsignificant longer fluoroscopic time (15.2 ± 5.4 vs. 14.4 ± 7.1 min, p = .074). And the overall incidence of peri‐procedural complications was similar between cohorts. After an average of 24 months of clinical follow‐up, only three patients in the TEE cohort had ≤3 mm residual flow (p = .62). Kaplan–Meier estimates showed nonsignificant differences between the cohorts for freedom from atrial arrhythmia (log‐rank p = .964) and major adverse cardiovascular events (log‐rank p = .502).

Conclusions

Compared with DSA and TEE guidance, DSA‐guided combined procedure could shorten the procedural time, while achieving similar periprocedural and long‐term feasibility and safety.
Not Every Hit‐Identification Technique Works on 1‐Deoxy‐d‐Xylulose 5‐Phosphate Synthase (DXPS): Making the Most of a Virtual Screening Campaign
Authors: Johannsen Sandra , Gierse Robin M. , Olshanova Aleksandra , Smerznak Ellie , Laggner Christian , Eschweiler Lea , Adeli Zahra , Hamid Rawia , Alhayek Alaa , Reiling Norbert , Haupenthal Jörg , Hirsch Anna K. H.
Published: March 2023

In this work, we demonstrate how important it is to investigate not only on‐target activity but to keep antibiotic activity against critical pathogens in mind. Since antimicrobial resistance is spreading in bacteria such as Mycobacterium tuberculosis, investigations into new targets are urgently needed. One promising new target is 1‐deoxy‐d‐xylulose 5‐phosphate synthase (DXPS) of the 2‐C‐methyl‐d‐erythritol 4‐phosphate (MEP) pathway. We have recently solved the crystal structure of truncated M. tuberculosis DXPS and used it to perform a virtual screening in collaboration with Atomwise Inc. using their deep convolutional neural network‐based AtomNet® platform. Of 94 virtual hit compounds only one showed interesting results in binding and activity studies. We synthesized 30 close derivatives using a straightforward synthetic route that allowed for easy derivatization. However, no improvement in activity was observed for any of the derivatives. Therefore, we tested them against a variety of pathogens and found them to be good inhibitors against Escherichia coli.
Development of Light‐Activated LXR Agonists
Authors: Mukhopadhyay Tufan K. , Willems Sabine , Arp Christopher J. , Morstein Johannes , Haake Caleb T. , Merk Daniel , Trauner Dirk
Published: March 2023

Activation of the oxysterol‐sensing transcription factor liver X receptor (LXR) has been studied as a therapeutic strategy in metabolic diseases and cancer but is compromised by the side effects of LXR agonists. Local LXR activation in cancer treatment may offer an opportunity to overcome this issue suggesting potential uses of photopharmacology. We report the computer‐aided development of photoswitchable LXR agonists based on the T0901317 scaffold, which is a known LXR agonist. Azologization and structure‐guided structure‐activity relationship evaluation enabled the design of an LXR agonist, which activated LXR with low micromolar potency in its light‐induced (Z)‐state and was inactive as (E)‐isomer. This tool sensitized human lung cancer cells to chemotherapeutic treatment in a light‐dependent manner supporting potential of locally activated LXR agonists as adjuvant cancer treatment.
Impact of Structural Flexibility of Amine Moieties as Bridges for Redox‐Active Sites on Secondary Battery Performance
Authors: Choi Siku , Song Songi , Ko Yeongnam , Kim Ki Chul
Published: March 2023

Although environmentally benign organic cathode materials for secondary batteries are in demand, their high solubility in electrolyte solvents hinders broad applicability. In this study, a bridging fragment to link redox‐active sites is incorporated into organic complexes with the aim of preventing dissolution in electrolyte systems with no significant performance loss. Evaluation of these complexes using an advanced computational approach reveals that the type of redox‐active site (i. e., dicyanide, quinone, or dithione) is a key parameter for determining the intrinsic redox activity of the complexes, with the redox activity decreasing in the order of dithione>quinone>dicyanide. In contrast, the structural integrity is strongly reliant on the bridging style (i. e., amine‐based single linkage or diamine‐based double linkage). In particular, owing to their rigid anchoring effect, diamine‐based double linkages incorporated at dithione sites allow structural integrity to be maintained with no significant decrease in the high thermodynamic performance of dithione sites. These findings provide insights into design directions for insoluble organic cathode materials that can sustain high performance and structural durability during repeated cycling.
Clinical, cytological and ultrasonographic features of incidental thyroid cancer in a hospital‐based study in vietnam
Authors: Nguyen Bay Quang , Tran Hau Thi , Nguyen Huong Thi Thu , Nguyen Thanh Xuan , Nguyen Thu Thi Hoai , Nguyen Tam Ngoc , Vu Huyen Thi Thanh
Published: March 2023

Introduction

Thyroid nodules are common diseases of the endocrine system, with a 5% prevalence rate in the general population. This study aimed to identify prevalence, clinical, cytological and ultrasonographic features of incidental thyroid cancer and its associated factors in Vietnam.

Methods

This cross‐sectional descriptive study consisted of 208 patients with incidental thyroid nodules detected by ultrasound at the Endocrinology Department, Bach Mai Hospital, Hanoi, Vietnam between November 2019 and August 2020. Clinical information, sonography characteristics of thyroid nodules, results of fine‐needle aspiration biopsy (FNAB), postoperative pathology and lymph node metastasis were collected. A multiple logistic regression model was used to estimate factors associated with thyroid cancer.

Results

A total of 272 thyroid nodules (from 208 participants) were included in this study. The mean age was 47.2 ± 12.0 (years). The rate of incidental thyroid cancer patients detected was 17.3%. Nodules <1 cm in size were significantly more prevalent for malignant nodules. The size of more than half of thyroid cancer nodules was 0.50–0.99 cm. Postoperative pathology of all nodules with Bethesda V and VI was papillary thyroid cancer which was consistent with cytological results. 33.3% of thyroid cancer patients have lymph node metastasis. The regression model showed that thyroid cancer was more likely to occur at a younger age (≤ 45 years vs. >45 years, OR 2.8; 95% CI: 1.3–6.1), taller‐than‐wide nodules (OR 6.8; 95% CI: 2.3–20.2) and hypo‐echoic nodules (OR 5.2; 95% CI: 1.7–15.9).

Conclusion

The study showed that the prevalence of incidental thyroid cancers was 17.3%, of which 100% was papillary carcinoma. People under the age of 45 and the presence of ultrasound characteristics, such as taller‐than‐wide and hypoechoic nodules increased risk for malignancy.
Virtual reality increases pressure pain threshold and lowers anxiety in children compared with control and non‐immersive control—A randomized, crossover trial
Authors: Kjeldgaard Pedersen L. , Fisker L. Y. V. , Rölfing J. D. , Ahlburg P. , Veien M. , Vase L. , Møller‐Madsen B.
Published: March 2023

Background

Virtual reality (VR) is a promising non‐pharmacological pain intervention because it may not only distract but also modulate pain by immersing the user in a three‐dimensional 360° alternate reality. In children, VR has been reported to reduce clinical pain and anxiety during medical procedures. However, the effect of immersive VR on pain and anxiety remains to be investigated in randomized controlled trials (RCT). The aim of the present crossover RCT was to assess the effect of VR on pressure pain threshold (PPT) and anxiety level measured with the modified Yale Preoperative Anxiety Scale (mYPAS) in children in a controlled experimental setting.

Methods

Seventy‐two children (mean age 10.2 (6–14) years) were randomized to 24 sequences of four interventions (immersive VR Game, immersive VR video, tablet: 2D video and control: small talk). Outcome measures PPT, mYPAS and heart rate were assessed before and after each intervention.

Results

PPT increased significantly during VR game (PPTdiff): 136 kPa (CI 112; 161), p < 0.0001 and VR Video (PPTdiff): 122 kPa (CI 91; 153), p < 0.0001. Also, anxiety levels significantly decreased during both VR game (mYPASdiff: −7 points (−8 to −5), p < 0.0001) and VR video (mYPASdiff: −6 points (CI −7; −4), p < 0.0001).

Conclusions

VR had a marked beneficial effect on PPT and anxiety compared with the control interventions: 2D video and small talk. Thus, immersive VR had a distinct modulatory effect on pain and anxiety in a well‐controlled experimental setting. Immersive VR was effective and feasible in children and can act as a valid tool for non‐pharmacological pain and anxiety management.

Significance

Paediatric immersive VR seems to be beneficial although well‐controlled studies are pending. We investigated whether immersive VR can modulate children's threshold for pain and anxiety level in an experimental well‐controlled setting. We document a modulatory pain threshold increase and anxiety level decrease compared with extensive control conditions. Paediatric immersive VR is effective, feasible and valid for non‐pharmacological pain and anxiety management. All efforts to reach the goal that no child should experience pain or anxiety when exposed to medical procedures.
Material circularity indicator for accelerating low‐carbon circular economy in Thailand's building and construction sector
Authors: Poolsawad Nongnuch , Chom‐in Tassaneewan , Samneangngam Jantima , Suksatit Prakaytham , Songma Khaowpradabdin , Thamnawat Saowalak , Kanoksirirath Somrath , Mungcharoen Thumrongrut
Published: March 2023

Thailand's steady growth of urban areas and industrial estates, the construction sector needs to adopt a low‐carbon circular economy (CE) model that emphasizes material circularity and resource efficiency. This research aims to measure the low‐carbon CE of the construction industry through significant representative products, life cycle assessment and material circularity indicator (MCI) were measured on significant representative products materials were evaluated. In the results of the study, it was found that the MCI and GHGs revealed the following results: 1 ton of construction steel products = 0.73 and 2.32 kgCO2/ton, 1 bag (50 kg) of mortar and cement products = 0.17 and 16.92 kgCO2/bag, 1 m3 of ready‐mixed concrete at compressive strength 240 kilograms per square centimeter = 0.11 and 253.63 kgCO2/m3, 1 m3 of wood and composite wood products = 0.17 and 745.84 kgCO2/bag, also 1 m2K/W (meters squared Kelvin per Watt) of glass wool insulation = 0.50 and 1.63 kgCO2/m2K/W, respectively. These values are indicated as national baselines for monitoring CE performance that contribute to the industry's long‐term viability and turn to sustainability in Thailand through the key strategic issues in Thailand's CE and low‐carbon society. The GHGs reduction of 11 million tons is expected, which can also increase the 10% of material circularity, also the estimation of the economic value, by considering the value added from material reduction and the price of carbon credit from construction and demolition waste reduction affect the Thai construction industry by approximately 67 million dollars.
Changes in fatty acids during storage of artisanal‐processed freshwater sardines (Rastrineobola argentea)
Authors: Chaula Davis , Jacobsen Charlotte , Laswai Henry S. , Chove Bernard Elias , Dalsgaard Anders , Mdegela Robinson , Hyldig Grethe
Published: March 2023

For ages, indigenous small fish species have been important in food and nutritional security of poor communities in low income countries. Freshwater fish, in particular fatty fish species are attracting a great attention because they are good sources of health promoting long chain omega‐3 fatty acids. Docosahexaenoic acid (DHA, C22:6n‐3), Docosapentaenoic acid (DPA, C22:5n‐3) and eicosapentaenoic acid (EPA, C20:5n‐3) are the main omega‐3 PUFAs known to confer health benefits in humans if consumed in required amounts. While nutritionally valued, omega‐3 PUFAs in fish are susceptible to oxidative damage during processing, transportation and subsequent storage. Lake Victoria sardines (Rastrineobola argentea), are rich source of chemically unstable omega‐3 fatty acids DHA, DPA and EPA. Traditionally, sardines are preserved by sun drying, deep frying and smoking. Sardine products are transported, stored and marketed at ambient temperatures. Generally, uncontrolled and higher temperatures are known to increase vulnerability of polyunsaturated fatty acids to oxidation which in turn results into loss of nutritional and sensory qualities. This study investigated changes of fat acids in sun dried, deep fried and smoked sardines during storage. Lipolysis and the progressive hydroperoxides formation were monitored by free fatty acids (FFAs) and peroxide value (PV) respectively. None volatile secondary products of lipid oxidation were measured by thiobabituric acid reactive substances (TBARS). Fatty acids were analyzed by gas chromatography with a flameionization detector (GC‐FID). Deep fried sardines maintained the lowest and apparently stable PV, TBARS and FFAs. Proportions of saturated fatty acids and polyunsaturated fatty acids decreased with time while that of monounsaturated fatty acids increased. Omega‐3 fatty acids EPA, DPA and DHA decreased with increase in storage time. In 21 days of storage, DHA was oxidized beyond detectable levels in all sardine products. Gradual increase in FFAs in sun dried sardines was suggestive of lipid hydrolysis induced by enzymes.