bluuebunny/crossref_metadata_2025 huggingface dataset:
Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations
Authors: Tan Xi , Chen Ming , Zhang Jinkai , Li Shiqi , Zhang Huajie , Yang Long , Sun Tian , Qian Xin , Feng Guang
Published: March 2024

Lithium‐ion batteries (LIBs) have played an essential role in the energy storage industry and dominated the power sources for consumer electronics and electric vehicles. Understanding the electrochemistry of LIBs at the molecular scale is significant for improving their performance, stability, lifetime, and safety. Classical molecular dynamics (MD) simulations could directly capture the atomic and molecular motions and thus provide dynamic insights into the electrochemical processes and ion transport in LIBs during charging and discharging that are usually challenging to observe experimentally, which is momentous in developing LIBs with superb performance. This review discusses developments in MD approaches using non‐reactive force fields, reactive force fields, and machine learning potential for modeling chemical reactions and transport of reactants in the electrodes, electrolytes, and electrode‐electrolyte interfaces. It also comprehensively discusses how molecular interactions, structures, transport, and reaction processes affect electrode stability, energy capacity, and interfacial properties. Finally, the remaining challenges and envisioned future routes are commented on for high‐fidelity, effective simulation methods to decode the invisible interactions and chemical reactions in LIBs.
Palladium Catalyzed Selective 1,4‐Dihydrosilylation of Alkynones
Authors: Mai Jiexiong , Zheng Juanjuan , Li Jiefang , Xu Shanshan , Ye Jiawang , Li Ping , Wang Xianwen , Li Bin
Published: March 2024

An efficient and selective Pd‐catalyzed 1,4‐dihydrosilylation of alkynones has been firstly described to provide a convenient access to β‐aryl carbonyl compounds under mild conditions. Various β‐aryl carbonyl compounds have been synthesized with good yields and functional group tolerance. β‐aryl carbonyl products have been shown to be further application in the synthesis of secondary alcohol, silyl‐ether, trifluoromethylsilyl‐ether and vinyl acetate derivative.
The Use of Xenonucleic Acids Significantly Reduces the In Vivo Drift of Electrochemical Aptamer‐Based Sensors
Authors: Leung Kaylyn K. , Gerson Julian , Emmons Nicole , Heemstra Jennifer M. , Kippin Tod E. , Plaxco Kevin W.
Published: March 2024

Electrochemical aptamer‐based sensors support the high‐frequency, real‐time monitoring of molecules‐of‐interest in vivo. Achieving this requires methods for correcting the sensor drift seen during in vivo placements. While this correction ensures EAB sensor measurements remain accurate, as drift progresses it reduces the signal‐to‐noise ratio and precision. Here, we show that enzymatic cleavage of the sensor's target‐recognizing DNA aptamer is a major source of this signal loss. To demonstrate this, we deployed a tobramycin‐detecting EAB sensor analog fabricated with the DNase‐resistant “xenonucleic acid” 2’O‐methyl‐RNA in a live rat. In contrast to the sensor employing the equivalent DNA aptamer, the 2’O‐methyl‐RNA aptamer sensor lost very little signal and had improved signal‐to‐noise. We further characterized the EAB sensor drift using unstructured DNA or 2’O‐methyl‐RNA oligonucleotides. While the two devices drift similarly in vitro in whole blood, the in vivo drift of the 2’O‐methyl‐RNA‐employing device is less compared to the DNA‐employing device. Studies of the electron transfer kinetics suggested that the greater drift of the latter sensor arises due to enzymatic DNA degradation. These findings, coupled with advances in the selection of aptamers employing XNA, suggest a means of improving EAB sensor stability when they are used to perform molecular monitoring in the living body.
A Crown‐Ether‐Based Elastomer Bearing Loop Structures with Dissipating Characteristics and Enhanced Mechanical Performance
Authors: Zhao Dong , Zhang Zhaoming , Wei Zhiyou , Zhao Jun , Li Tao , Yan Xuzhou
Published: March 2024

Loops are prevalent topological structures in cross‐linked polymer networks, resulting from the folding of polymer chains back onto themselves. Traditionally, they have been considered as defects that compromise the mechanical properties of the network, leading to extensive efforts in synthesis to prevent their formation. In this study, we introduce the inclusion of cyclic dibenzo‐24‐crown‐8 (DB24C8) moieties within the polymer network strands to form CCNs, and surprisingly, these loops enhance the mechanical performances of the network, leading to tough elastomers. The toughening effect can be attributed to the unique cyclic structure of DB24C8. The relatively small size and the presence of rigid phenyl rings provide the loops with relatively stable conformations, allowing for substantial energy dissipation upon the application of force. Furthermore, the DB24C8 rings possess a broad range of potential conformations, imparting the materials with exceptional elasticity. The synergistic combination of these two features effectively toughens the materials, resulting in a remarkable 66‐fold increase in toughness compared to the control sample of covalent networks. Moreover, the mechanical properties, particularly the recovery performance of the network, can be effectively tuned by introducing guests to bind with DB24C8, such as potassium ions and secondary ammonium salts.
Functionalization of Chlorotonils: Dehalogenil as Promising Lead Compound for In Vivo Application
Authors: Hofer Walter , Deschner Felix , Jézéquel Gwenaëlle , Pessanha de Carvalho Laìs , Abdel‐Wadood Noran , Pätzold Linda , Bernecker Steffen , Morgenstern Bernd , Kany Andreas M. , Große Miriam , Stadler Marc , Bischoff Markus , Hirsch Anna K. H. , Held Jana , Herrmann Jennifer , Müller Rolf
Published: March 2024

The natural product chlorotonil displays high potency against multidrug‐resistant Gram‐positive bacteria and Plasmodium falciparum. Yet, its scaffold is characterized by low solubility and oral bioavailability, but progress was recently made to enhance these properties. Applying late‐stage functionalization, we aimed to further optimize the molecule. Previously unknown reactions including a sulfur‐mediated dehalogenation were revealed. Dehalogenil, the product of this reaction, was identified as the most promising compound so far, as this new derivative displayed improved solubility and in vivo efficacy while retaining excellent antimicrobial activity. We confirmed superb activity against multidrug‐resistant clinical isolates of Staphylococcus aureus and Enterococcus spp. and mature transmission stages of Plasmodium falciparum. We also demonstrated favorable in vivo toxicity, pharmacokinetics and efficacy in infection models with S. aureus. Taken together, these results identify dehalogenil as an advanced lead molecule.
Bypassing Ammonia: From N2 to Nitrogen Heterocycles without N1 Intermediates or Transition Metals
Authors: Weber Marco , Kupfer Thomas , Arrowsmith Merle , Dewhurst Rian D. , Rang Maximilian , Ritschel Benedikt , Titlbach Sven , Ernst Martin , Rodrigues Marieli O. , da Silva Júnior Eufrânio N. , Braunschweig Holger
Published: March 2024

Diboradiazene compounds, derived in one step from the boron‐mediated reduction of dinitrogen (N2), were treated separately with sulfur and acetic anhydride, providing heterocyclic compounds that are BN isosteres of thiophene and 1,3‐oxazole, respectively. These simple reactions represent the final steps in two‐step routes to complex heterocycles from N2 that both circumvent the need for transition metal reagents and completely bypass the traditional intermediate ammonia.
Optimizing Molecular Crystallinity and Suppressing Electron‐Phonon Coupling in Completely Non‐Fused Ring Electron Acceptors for Organic Solar Cells
Authors: Dai Tingting , Tang Ailing , Meng Yuhan , Dong Chuanqi , Cong Peiqing , Lu Jiahao , Du Jimin , Zhong Yufei , Zhou Erjun
Published: March 2024

High open‐circuit voltage (Voc) organic solar cells (OSCs) have received increasing attention because of their promising application in tandem devices and indoor photovoltaics. However, the lack of a precise correlation between molecular structure and stacking behaviors of wide band gap electron acceptors has greatly limited its development. Here, we adopted an asymmetric halogenation strategy (AHS) and synthesized two completely non‐fused ring electron acceptors (NFREAs), HF‐BTA33 and HCl‐BTA33. The results show that AHS significantly enhances the molecular dipoles and suppresses electron‐phonon coupling, resulting in enhanced intramolecular/intermolecular interactions and decreased nonradiative decay. As a result, PTQ10 : HF‐BTA33 realizes a power conversion efficiency (PCE) of 11.42 % with a Voc of 1.232 V, higher than that of symmetric analogue F‐BTA33 (PCE=10.02 %, Voc=1.197 V). Notably, PTQ10 : HCl‐BTA33 achieves the highest PCE of 12.54 % with a Voc of 1.201 V due to the long‐range ordered π–π packing and enhanced surface electrostatic interactions thereby facilitating exciton dissociation and charge transport. This work not only proves that asymmetric halogenation of completely NFREAs is a simple and effective strategy for achieving both high PCE and Voc, but also provides deeper insights for the precise molecular design of low cost completely NFREAs.
Activating and Stabilizing a Reversible four Electron Redox Reaction of I−/I+ for Aqueous Zn‐Iodine Battery
Authors: Wang Chenggang , Ji Xiaoxing , Liang Jianing , Zhao Shunshun , Zhang Xixi , Qu Guangmeng , Shao Wenfeng , Li Chuanlin , Zhao Gang , Xu Xijin , Li Huiqiao
Published: March 2024

Low capacity and poor cycle stability greatly inhibit the development of zinc‐iodine batteries. Herein, a high‐performance Zn‐iodine battery has been reached by designing and optimizing both electrode and electrolyte. The Br− is introduced as the activator to trigger I+, and coupled with I+ forming interhalogen to stabilize I+ to achieve a four‐electron reaction, which greatly promotes the capacity. And the Ni−Fe−I LDH nanoflowers serve as the confinement host to enable the reactions of I−/I+ occurring in the layer due to the spacious and stable interlayer spacing of Ni−Fe−I LDH, which effectively suppresses the iodine‐species shuttle ensuring high cycling stability. As a result, the electrochemical performance is greatly enhanced, especially in specific capacity (as high as 350 mAh g−1 at 1 A g−1 far higher than two‐electron transfer Zn‐iodine batteries) and cycling performance (94.6 % capacity retention after 10000 cycles). This strategy provides a new way to realize high capacity and long‐term stability of Zn‐iodine batteries.
Adsorptive removal of methylene blue dye using durian peel waste reinforced polyvinyl alcohol‐based composite membrane
Authors: Pham Bao‐Tran Tran , Nguyen Dai Van , Phung Thanh Khoa , Nguyen Thuong Thi
Published: March 2024

A large amount of dye effluents with biodegradable and highly toxic nature from the dyeing and finishing processes has discharged into natural water bodies without adequate treatment, which adversely impacted on aquatic life and human health. Herein, polyvinyl alcohol/agarose/maltodextrin composite membrane (PAM)‐reinforced durian skin fiber is fabricated for methylene blue (MB) uptake from aqueous medium. Structural analyses of the as‐prepared composite membrane are conducted using scanning electron microscopy, Fourier‐transform infrared spectroscopy, water contact angle, and nitrogen adsorption/desorption isotherm measurement. The important influence of experimental conditions including exposure time between adsorbates and adsorbents, initial MB concentration, solution temperature, and pH are also explored. Furthermore, thermodynamic behavior, nonlinear isotherms, and kinetics along with possible adsorption mechanism are provided to attain the insight into the adsorption nature. The results show that PAM‐reinforced durian peel waste possesses high MB adsorption capacity (105.54 mg g−1), which was controlled by diffusion and chemisorption mechanism. The thermodynamics of methyl blue removal on the composite membrane suggest that the adsorption is spontaneous, favorable, and endothermic in nature. This contribution is expected to inspire the efficient utilization of agriculture by‐products into eco‐friendly and biodegradable adsorbents to purify the dye‐contaminated water.
Effects of epoxy resin on the high‐temperature performance of desulfurized rubber modified asphalt
Authors: Li Junwei , Su Haobo , Yang Dan , Jia Yanzhen , Jiao Xiaolei , Zheng Liansheng , Lu Wenxue , Zhao Yongke
Published: March 2024

In order to improve the performance of desulphurized rubber modified asphalt, especially the high‐temperature performance, epoxy resin was selected to modify the modified asphalt with three curing agent and accelerator components. The conventional properties, rheological properties, curing effect, process energy, and modification mechanism of epoxy resin—desulfurized rubber modified asphalt were analyzed. The experimental results show that the addition of epoxy resin to asphalt can all improve the high‐temperature performance of modified asphalt. The promoter component (PC) further improves the high‐temperature performance and reduces the viscosity. Among them, diaminodiphenyl sulfone and methylhexahydrophthalic anhydride in a 1:1 mass combination with epoxy resin modified asphalt not only had better high‐temperature performance, but also had excellent low‐temperature performance and ideal curing process. From the results, it can be seen that 5% epoxy resin with mixed curing agent with 3% PC had the best overall performance.
Design modification and comparative analysis of glycol‐based natural gas dehydration plant
Authors: Wosu Chimene Omeke , Akpa Jackson Gunorubon , Wordu Animia Ajor , Ehirim Emmanuel , Ezeh Ernest Mbamalu
Published: March 2024

Natural gas production from reservoirs is often associated with water, which poses numerous challenges, such as methane hydrate formation, sludge, corrosion and flow assurance issues in gas processing plants and sales gas transmission pipelines. To effectively remove water from natural gas, there is a need to design, compare and modify dehydration plants. This study investigated the performance difference between a conventional triethylene glycol (TEG)‐based dehydration system with a cooler at the TEG inlet to the contactor, and a newly proposed TEG‐based dehydration system with a heat exchanger replacing the cooler at the TEG inlet with the contactor. The advanced process simulation software Aspen HYSYS was used to design and compare two dehydration system configurations. The modified design configuration exhibited better performance in terms of energy conservation and water‐removal capability. The material balance of molar flow, mass flow and volume flow of dry gas produced in the absorber/contactor column showed a higher volume of dry gas produced in the modified system configuration, indicating that it is a better design. The modified design configuration also produced dry gas within the recommended temperature range for underground storage and transmission. There was a significant difference in the percentage difference of 64% between the conventional and modified designs in terms of energy consumption, whereas the percentage differences of 0% and 0.6% showed nonsignificant and significant differences between the two plant design configurations. Both plant design configurations showed a significant reduction (from 0.005 to 0.0002 mol%) in the water composition of natural gas after the simulation.
Callistemon citrinus: A plant‐mediated synthesis of sustainable Rhodium nanoparticles and their antimicrobial activity
Authors: Ismail Enas , Mohamed Abubaker , Maboza Ernest , Dhlamini Mokhotjwa Simon , Adam Razia Z.
Published: March 2024

This work investigates the potential of using Callistemon citrinu flower extract, commonly known as bottlebrush, in the environmentally friendly synthesis of Rhodium nanoparticles (Rh NPs). Callistemon citrinu flower extract contains a high concentration of flavonoids and other phytochemicals. Hence, the extract was used to provide the essential components for an environmentally, sustainable synthesis method of Rh NPs. Different characterization analyses were used to evaluate the different properties of the synthesized particles. UV spectroscopy analysis demonstrated a continuous UV absorption spectrum attributed to the formation of Rh NPs. The XRD data and SAED analysis showed an amorphous nature of the synthesized Rh NPs. The HRTEM imaging provided morphological information about the Rh NPs tested sample, where the efficiency of Callistemon citrinu flower extract as a capping agent was reported. Furthermore, Raman spectra displayed the characteristic vibrational bands of the synthesized Rh NPs. The antimicrobial activity of the synthesized samples was tested against several dental pathogens, that play a role in dental caries, Staphylococcus aureus (SA), Bacillus subtilis (BS), Candida albicans (CA), Escherichia coli (Eco), and Staphylococcus epidermidis (S. Epi). In comparison with the control, Chlorhexidine (CHX), Rh NPs showed a greater impact on C. albicans (20 ≤ Zone of inhibition (ZOI) (mm) ≤ 26). The statistical analysis demonstrated that Rh NPs had a greater mean ZOI than the Callistemon citrinu flower extract. These results reveal the considerable potential and biological capacity Rh NPs have as an antifungal agent for dental applications.
Exploring the factors and outcomes of collaborative information monitoring: Findings of a cross‐case analysis
Authors: Granikov Vera , Bouthillier France , Pluye Pierre
Published: March 2024

Collaborative information monitoring (CIM) involves intentional information monitoring activities pursued by a group and could help researchers keep up to date. This paper reports findings of a cross‐case analysis aimed to explore the perceived factors and outcomes of CIM. Seven cases were included in the study, representing 11 members of patient‐oriented research communities (i.e., researchers, trainees, clinicians, research professionals, managers), who have implemented projects in a dedicated CIM system called eSRAP. Data were collected with semistructured interviews, verified with system logs and CIM project documents. Data were analyzed using a deductive/inductive thematic analysis. Cross‐case analysis revealed four types of cases, those that engaged in CIM with eSRAP, without eSRAP, used eSRAP individually (i.e., did not collaborate), or did not collaborate and did not use eSRAP. Analysis confirmed theory‐based types of factors (personal, group, organizational, environmental, information sources, system, task) and outcomes (performance, behavioral, cognitive, affective, relational) and generated new subtypes. The factor specific to cases that engaged in CIM (with or without eSRAP) was group leadership. Specific outcomes were motivation and discussion. Our findings contribute to conceptualizing CIM and can inform practice by providing actionable recommendations for supporting and sustaining CIM projects.
Optical properties of blue‐light‐emitting Y2O3:Ce nanophosphor for solid‐state lighting application
Authors: Dutta M. , Kalita J.M. , Wary G.
Published: March 2024

The structural, surface morphological, optical absorption and emission features of Y2O3:Ce (0%–5%) were studied. The samples had a body‐centred cubic crystal structure. The undoped sample had a crystallite size of 29.03 nm, and it varied after doping with Ce. The grain size of the samples varied from 23.00 to 50.78 nm. All the samples exhibited a strong absorption band at 206 nm due to F‐centre absorption and absorption involving the delocalised bands. In addition, the doped samples exhibited a secondary band at ~250 nm due to 4f → 5d transitions of Ce3+ ions. The optical bandgap of the undoped sample was found to be ~5.37 eV, and it decreased to 5.20 eV with an increase in Ce concentration to 5%. The undoped sample under 350‐nm excitation exhibited a broad photoluminescence (PL) emission band with the maxima at 406 nm and a secondary band at 463 nm. In contrast, multiple PL peaks were centred at ~397, 436, 466, 488 and 563 nm in all the doped samples. The average lifetime of the emission band at 406 nm was 1.05 ns and that of the emission band at ~466 nm was 1.63 ns. The material has potential for solid‐state lighting applications.
Revolutionizing green business: The power of academic directors in accelerating eco‐innovation and sustainable transformation in China
Authors: Ullah Farid , Jiang Ping , Elamer Ahmed A.
Published: March 2024

This study investigates the relationship between academic directors and corporate eco‐innovation in Chinese A‐listed firms in the context of the growing urgency of climate change. Based on the argument that academic directors bring advanced knowledge, skills, experience, and expertise to a corporate board and are more socially responsible and ethical, we hypothesized that academic directors would have a positive influence on corporate eco‐innovation. We also examine how this nexus is moderated by pollutant firms and firms having qualified foreign institutional investors (QFIIs). Our results suggest that academic directors have a positive and significant impact on corporate eco‐innovation. The findings remain robust even after employing alternate proxies for both independent and dependent variables, minimizing reverse causality and endogeneity concerns, and addressing self‐selection bias through the entropy balancing method. Additionally, our study reveals that the positive nexus between academic directors and eco‐innovation is more pronounced in pollutant firms and firms having QFIIs. This study contributes to the literature on corporate governance, eco‐innovation, and emerging markets by providing evidence of the positive influence of academic directors on eco‐innovation, highlighting the importance of their contribution to enhancing corporate governance mechanisms to promote environmentally friendly activities and sustainability practices. Furthermore, our findings offer insight into the role of QFIIs in strengthening the positive association between academic directors and eco‐innovation, suggesting that foreign investors can support and encourage firms to adopt environmentally friendly practices for long‐term benefits.
Business strategies towards climate‐smart agriculture in Europe: A literature review
Authors: Isakhanyan Gohar , Galgo Christopher Jr. , Gemtou Marilena , Pedersen Søren Marcus
Published: March 2024

In response to increasing demands for sustainability, the entire agri‐food sector is in transition towards climate‐smart agriculture (CSA). The academic discourse on CSA has substantially expanded, including a large number of empirical studies, quite often case studies. There is a strong need to take stock of research, both from an academic and from a managerial point of view. This article integrates the dispersed insights in the literature and maps the implications for business strategies. Analysing 142 peer‐reviewed articles published in Scopus and Web of Science databases (2000–2022), we find that business strategies for CSA rely on formal institutions as well as on informal relationships characterised by trust and social interactions. The importance of a multi‐stakeholder network approach stems from the complexity of the CSA, the market failing to monetise environmental and social values and the substantial investments in new CSA technology that farmers cannot undertake independently. A successful interplay among stakeholders, however, requires alignment of value creation, distribution and capture at every individual actor and at the entire stakeholder group level.
New penta‐Coordinated Cadmium(II) Complexes: Synthesis, Characterization, Thermal, Antimicrobial, Antioxidant and Cytotoxicity Properties
Authors: Nejadmirfathi M. , Montazerozohori M. , Naghiha R. , Panahi Kokhdan E.
Published: March 2024

In this paper, a new tridentate Schiff base ligand (L) with nitrogen donor atoms and its cadmium(II) complexes with the general formula of CdLX2 (X=Cl−, Br−, I−, SCN−, N3−, NO3−) have been synthesized and characterized by physical and spectral (FT/IR, UV‐Vis, Mass, and 1H, 13C NMR spectroscopies) methods. Also nano‐structured cadmium chloride and bromide complexes were synthesized by sonochemical method and then used to prepare nanostructured cadmium oxide confirmed by XRD and SEM techniques. Thermal behavior of the compounds was studied in the temperature range of 25 to 900 °C under N2 atmosphere at a heating rate of 20 °C/ min. Moreover, thermo‐kinetic activation parameters of thermal decomposition steps were calculated according to the Coats‐Redfern relationship. Antimicrobial activities of the synthesized compounds against two gram‐positive and two gram‐negative bacteria such as Bacillus subtilis, Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, and two fungi of Candida albicans and Aspergillus niger were investigated by well diffusion method. SEM technique was used to monitor the morphological changes of the bacteria treated with the compounds. The 2,2‐Diphenyl‐1‐picrylhydrazyl(DPPH) and the ferric reducing antioxidant power (FRAP) methods were used to evaluate the antioxidant ability of the ligand and its cadmium(II) complexes. In final, the cytotoxicity properties of the ligand and some cadmium(II) complexes against PC3 cancer cells were evaluated by MTT (3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl‐2H‐tetrazolium bromide) bioassay and nitric oxide (NO) level measurement. The morphological changes of prostate cancer (PC3) cells due to treatment with the ligand and its complexes confirmed their anticancer effectiveness.
Undescribed Lignanamide and Flavone C‐Glucoside Isolated from the Aerial Parts of Piper Samentosum with NO Production Inhibitory Activity in LPS Activated RAW 264.7 Cells
Authors: Huyen Le Thi , Thao Luu Thu , Hang Nga Nhu Thi , Ly Quach Thi Khanh , Son Nguyen Thi , Tai Bui Huu , Thinh Ngo Sy , Kiem Phan Van
Published: March 2024

In this study, two undescribed compounds (1 and 2), together with eight known compounds (3–10) were isolated from the aerial parts of Piper samentosum by various chromatography methods. Their chemical structures were determined to be 7′′′‐oxolyciumamide N (1), vitexin 2′′‐O‐β‐D‐(6′′′‐feruloyl)‐glucopyranoside (2), 1,2‐dihydro‐6,8‐dimethoxy‐7‐hydroxy‐1‐(3,4‐dihydroxyphenyl)‐N1,N2‐bis‐[2‐(−hydroxyphenyl)ethyl]‐2,3‐napthalene dicarboamide (3), vitexin 6′′‐O‐β‐D‐glucopyranoside (4), vitexin 2′′‐O‐α‐L‐rhamnopyranoside (5), methyl 2‐hydroxybenzoate‐2‐O‐β‐D‐apiofuranosyl‐(1→2)‐O‐β‐D‐glucopyranoside (6), ficuside G (7), methyl 2‐O‐β‐D‐glucopyranosylbenzoate (8), methyl 2,5‐dihydroxybenzoate‐5‐O‐β‐D‐glucopyranoside (9), and 3,7‐dimethyloct‐1‐ene‐3,6,7‐triol 6‐O‐β‐D‐glucopyranoside (10) by spectroscopic data analysis including HR‐ESI‐MS, 1D‐, and 2D‐NMR spectra. Compounds 1–5 inhibited nitric oxide production in LPS‐stimulated RAW264.7 macrophages with the IC50 values of 27.62, 74.03, 38.54, 70.39, and 44.95 μM, respectively. The NMR data of 9 were firstly reported herein.
Drug coated balloons in large de novo vessels; fantasy or a reality?
Authors: Basavarajaiah Sandeep
Published: March 2024

Key points

This study by Cortese et al. has shown low rates of clinical outcomes especially target lesion revascularization (9%) in patients treated with Sirolimus coated balloon in large vessels.

This is a nonrandomized single‐arm registry and hence significant impact on clinical practice is unlikely to be huge.

Head‐to‐head randomized control trials comparing clinical outcomes between drug coated balloon versus drug eluting stents in large vessels is the way forward. Such studies are in the enrollment phase, and we eagerly look forward to the results from these studies.
Salmonella hvittingfoss, a rare case of postoperative endometritis: A case report and review of the literature
Authors: Baïli Sarah , Vereeck Sascha , Jacquemyn Yves
Published: March 2024

Key clinical message

Microbiological diagnosis of endometritis and appropriate antibiotic treatment based on the antibiogram is essential. We should remain critical about the potential etiologic pathogens, especially when traveling abroad and during pregnancy. Therefore, it is essential to obtain cultures prior to the administration of antibiotics.

We present a case of postoperative endometritis in a patient with incomplete miscarriage, who underwent dilatation and curettage. Blood, cervical and stool cultures revealed the presence of Salmonella hvittingfoss. Gynecological postoperative infections with Salmonella spp. are rare according to the current literature.
CHARGE syndrome with early fetal ear abnormalities: A case report
Authors: Liang Yu , He Sijie , Yang Liuqiao , Li Tao , Zhao Lijian , Sun Cong‐xin
Published: March 2024

Key Clinical Message

CHARGE syndrome is a rare genetic disorder characterized by several distinct features. The presence of fetal ear abnormalities could be the early indicator of CHARGE syndrome. Subsequent prenatal diagnosis is essential to confirm the disorder. This is significant because the patient may receive genetic counseling and appropriate disposal based on the accurate diagnosis.

CHARGE syndrome is a rare genetic disorder with multiple specific clinical features. The prenatal diagnosis is crucial but rarely achieved. We report a fetus with fetal external ear abnormality detected by ultrasound at 22nd week of gestation. Postnatal examination revealed an external ear abnormality, a mild atrial septal defect, and other clinical signs of CHARGE syndrome. A de novo pathogenic nonsense mutation in the CHD7 gene (c.406C > T, p.Q136X in exon 2) was identified to cause the disorder. Our study demonstrated that prenatal diagnosis and genetic testing were recommended to obtain a solid diagnosis of CHARGE syndrome when fetal external ear abnormality was detected by ultrasound examination.
„Immer über den Tellerrand hinausschauen”
Authors: Ebrahimi Mehrdad , Salzig Denise
Published: March 2024

No abstract.
Electrochemical Multicomponent Cascade Radical Process Enabling Synthesis of Iodomethyl Spiropyrrolidinyl‐Oxindoles
Authors: He Jingrui , Mei Haibo , Escorihuela Jorge , Han Jianlin
Published: March 2024

Comprehensive Summary

A novel electrochemical multicomponent cascade reaction of indole‐tethered alkenes with CF3SO2Na and n‐Bu4NI has been developed, which enables the rapid assembly of spiropyrrolidinyl‐oxindoles in good yields. The experimental results and DFT calculations suggest that this reaction proceeds through the oxidation of CF3SO2Na, radical coupling with alkene, spirocyclization, oxidation of sulfinate, iodide substitution, and water coupling. This strategy features mild reaction conditions, easy‐to‐handle reactants, and good chemical yields. This finding not only enriches the research contents of indole‐tethered alkenes but also provides a green strategy for the construction of spiropyrrolidinyl‐oxindoles compared with the existing methodologies.
Cross‐network service recommendation in smart cities
Authors: Mezni Haithem , Sellami Mokhtar , Al‐Rasheed Amal , Elmannai Hela
Published: March 2024

Nowadays, Internet of Things, artificial intelligence, cloud computing, and other revolutionary technologies (e.g., edge and fog computing) have become the pillar of smart cities. These latter make users' lives easier, thanks to a wide variety of smart services offered in different dimensions (e.g., smart living, smart mobility, smart economy, smart governance). However, the rapid adoption of smart services by users and the full servicelization of several cities around the world is faced with two major issues: the lack of knowledge regarding smart services' capacities (e.g., features, contextual requirements, pricing models, privacy policies, provisioning terms, etc.), and the lack of unified rating and quantification of smart services' QoS behavior. Indeed, interested users often exploit traditional search tools (e.g., Web search engines, social networks) to find and rate the needed services. This behavior has scattered the smart services' usage data (e.g., users contexts, ratings) across multiple providers platforms, which makes the search task beyond the capacity of users and, even, other service providers. Although recommender systems are a natural solution to exempt users from exploring the huge space of the offered smart services, current recommendation approaches for smart city environments are unable to deliver correct recommendations. In fact, they have been initially designed to single‐network settings (a single service repository), while smart services' consumers often are involved in multiple provider platforms. To the best of our knowledge, there exists no approach that treated smart service recommendation across multiple information networks. Therefore, the goal of this paper is to propose a cross‐network recommender system for smart cities. We first model the multiplex network of smart services' providers as a multirelational fuzzy lattice family thanks to fuzzy relational concept analysis (fuzzy RCA), which is a powerful mathematical method for data analysis and clustering. We also use the concept of anchor users to connect providers networks via the users involved in more than one provider platform. Guided by anchors' cross‐network relations, we compute the similarity between users and we define algorithms for exploring the smart services' information network, i.e. lattice family. Extensive experiments have proved the effectiveness of cross‐network recommendation and the quality of produced recommendations, compared to state‐of‐the‐art single‐network recommendation.
An autonomous blockchain‐based computational broker for e‐science
Authors: Alimoğlu Alper , Özturan Can
Published: March 2024

Blockchain infrastructures have emerged as a disruptive technology and have led to the realization of cryptocurrencies (peer‐to‐peer payment systems) and smart contracts. They can have a wide range of application areas in e‐Science due to their open, public nature and global accessability in a trustless manner. We propose and implement a smart contract called eBlocBroker, which is an autonomous blockchain‐based middleware system for volunteer computing and providing data resources for e‐Science. The eBlocBroker infrastructure connects requesters who need to combine applications (jobs) with datasets and run them via an Ethereum‐based private blockchain network (Bloxberg) on providers that utilize computational and data resources on clouds or home servers. It uses cloud storage, such as B2DROP, IPFS, or Google Drive, to store and transfer data between requesters and providers. Each provider utilizes the Slurm workload manager to execute jobs submitted through eBlocBroker. In this paper, we demonstrate how an autonomous organization programmed as a smart contract can be used to deploy a marketplace that supports data and computation‐intensive research projects. We propose a cost model implemented as a function in the smart contract which calculates and records computation and dataset usage costs. We develop a Python‐based system to communicate with eBlocBroker and orchestrate jobs' execution on the provider's end. We present eBlocBroker's features, infrastructure, implementation, algorithms and experimental results.
Particle Size of Calcium Hydroxide Prepared by Wet Digestion: Influencing Factors and Mechanism
Authors: Wang Xin , Wei Ming , Liu Kun , Cui Kuixin , Yang Yahui , Tian Zhongliang
Published: March 2024

The wet dissolution process of lime is an effective approach for synthesizing calcium hydroxide. Process parameters and additives exert influence on the product particle. Among the process parameters, lime particle size, reaction temperature, and time have a significant impact on product particle size, followed by liquid‐solid ratio and stirring speed. The experiment proved that reaction time affects product particle size by affecting the crystal growth, while other process parameters affect the particle size by affecting the ion diffusion behavior. In terms of inorganic additives, Ca(OH)2 has minimal effect on product particle size; however, NaOH and CaCl2 can significantly enhance it with a greater dose leading to a larger increase. The experiment proved that Ca(OH)2, NaOH, and CaCl2 influence particle size through their impact on ion diffusion behavior. Regarding organic additives, soluble starch exhibits the greatest effect on product size followed by triethanolamine and polyvinylpyrrolidone K30. The experiment proved that soluble starch, triethanolamine, and polyvinylpyrrolidone K30 affect product particle size by influencing its crystallization position. Finally, an ultrafine slurry of calcium hydroxide was prepared using the lime wet digestion method based on the aforementioned research, with particle size distribution characterized by D10, D50, and D90 values of 0.303, 1.750, and 4.534 µm respectively.
Digital technology innovation and corporate environmental, social, and governance performance: Evidence from a sample of listed firms in China
Authors: Feng Yuan , Nie Changfei
Published: March 2024

Corporate environmental, social, and governance (ESG) performance is gaining significance in global sustainable development. Corporations can improve ESG performance through digital technology innovation (DTI). However, few studies systematically examined the relationship between DTI and ESG performance. This study uses digital technology patent application data as a proxy for DTI to provide empirical evidence. Analysis of Chinese A‐share firms from 2009 to 2021 shows that DTI significantly improves ESG performance, particularly for small‐sized and non‐state‐owned firms. Mediation analysis indicates that DTI promotes ESG performance by increasing internal control quality and human capital. Institutional environment and government digital attention optimization enhances DTI's promotion effect on ESG performance. Firms with advanced digital transformation can better improve ESG performance through DTI. The findings expand the theoretical understanding of DTI's role in corporate sustainability and provide practical insights into how managers can leverage DTI opportunities to strengthen ESG performance.
Dual‐Tuning Azole‐Based Ionic Liquids for Reversible CO2 Capture from Ambient Air
Authors: Wang Kaili , Zhang Zhaowei , Wang Shenyao , Jiang Lili , Li Haoran , Wang Congmin
Published: March 2024

A strategy of tuning azole‐based ionic liquids for reversible CO2 capture from ambient air was reported. Through tuning the basicity of anion as well as the type of cation, an ideal azole‐based ionic liquid with both high CO2 capacity and excellent stability was synthesized, which exhibited a highest single‐component isotherm uptake of 2.17 mmol/g at the atmospheric CO2 concentration of 0.4 mbar at 30 °C, even in the presence of water. The bound CO2 can be released by relatively mild heating of the IL‐CO2 at 80 °C, which makes it promising for energy‐efficient CO2 desorption and sorbent regeneration, leading to excellent reversibility. To the best of our knowledge, these azole‐based ionic liquids are superior to other adsorbent materials for direct air capture due to their dual‐tunable properties and high CO2 capture efficiency, offering a new prospect for efficient and reversible direct air capture technologies.
Enabling collaborative lesson research
Authors: Bamber Sally , Blears‐Chalmers Sarah , Egan‐Simon Daryn , Packer Christine , Guest Sarah , Hall Joanna
Published: March 2024

In this paper, we interrogate and justify the design of a local project that used collaborative design research in a secondary school in England. As authors, we represent teachers and teacher educators engaged in design research, whereby we acknowledge the difficulties implicit to university and school collaborations within a performative culture. Our analysis recognises the struggle for research‐informed professional judgement in the decision‐making and actions of educators that are situated in schools. A professional learning project is analysed to position teachers and teacher educators as practitioner researchers. In this respect, Stenhouse's work provides an analytical framework that is both a lens through which to interpret the nature of collaborations, as well as a methodology that allows us to understand the way in which we navigate the gap between educators' aspirations and the curriculum design and teaching within the project. The collaborative design research project was stimulated by an aspiration to make trigonometry accessible to low prior attaining pupils in a secondary mathematics classroom. This provides a stimulus for understanding the conditions that enable collaborative lesson inquiry and to question whether it can provoke raised aspirations for young people in inclusive classrooms. This allows us to understand the work of teachers as researchers and research users in an increasingly messy teacher education context. We interrogate the potentially problematic connection between research and practice within collaborative inquiry, as we understand how we enable research that is “held accountable for its relevance to practice” because “that relevance can only be validated by practitioners” (Stenhouse, 1988, p. 49).
Disruption of Fuz in mouse embryos generates hypoplastic hindbrain development and reduced cranial nerve ganglia
Authors: Caiaffa Carlo Donato , Ambekar Yogeshwari S. , Singh Manmohan , Lin Ying Linda , Wlodarczyk Bogdan , Aglyamov Salavat R. , Scarcelli Giuliano , Larin Kirill V. , Finnell Richard H.
Published: March 2024

Background

The brain and spinal cord formation is initiated in the earliest stages of mammalian pregnancy in a highly organized process known as neurulation. Environmental or genetic interferences can impair neurulation, resulting in clinically significant birth defects known collectively as neural tube defects. The Fuz gene encodes a subunit of the CPLANE complex, a macromolecular planar polarity effector required for ciliogenesis. Ablation of Fuz in mouse embryos results in exencephaly and spina bifida, including dysmorphic craniofacial structures due to defective cilia formation and impaired Sonic Hedgehog signaling.

Results

We demonstrate that knocking Fuz out during embryonic mouse development results in a hypoplastic hindbrain phenotype, displaying abnormal rhombomeres with reduced length and width. This phenotype is associated with persistent reduction of ventral neuroepithelial stiffness in a notochord adjacent area at the level of the rhombomere 5. The formation of cranial and paravertebral ganglia is also impaired in these embryos.

Conclusions

This study reveals that hypoplastic hindbrain development, identified by abnormal rhombomere morphology and persistent loss of ventral neuroepithelial stiffness, precedes exencephaly in Fuz ablated murine mutants, indicating that the gene Fuz has a critical function sustaining normal neural tube development and neuronal differentiation.
Gap junctions in polycystic ovary syndrome: Implications for follicular arrest
Authors: Zhu Ying , Zhu Hongqiu , Wu Peijuan
Published: March 2024

Gap junctions are specialized intercellular conduits that provide a direct pathway between neighboring cells, which are involved in numerous physiological processes, such as cellular differentiation, cell growth, and metabolic coordination. The effect of gap junctional hemichannels in folliculogenesis is particularly obvious, and the down‐regulation of connexins is related to abnormal follicle growth. Polycystic ovary syndrome (PCOS) is a ubiquitous endocrine disorder of the reproductive system, affecting the fertility of adult women due to anovulation. Exciting evidence shows that gap junction is involved in the pathological process related to PCOS and affects the development of follicles in women with PCOS. In this review, we examine the expression of connexins in follicular cells of PCOS and figure out whether such communication could have consequences for PCOS women. While along with results from clinical and related animal studies, we summarize the mechanism of connexins involved in the pathogenesis of PCOS.
Cu(III)‐CF3 Compound‐Activated DMSO: An Efficient Oxidizing Reagent to Convert Alcohols to Ketones
Authors: Hou Yi‐Feng , Zhang Song‐Lin
Published: March 2024

In this study high‐valent Cu(III) trifluoromethyl compounds in combination with DMSO is shown to be an efficient and mild oxidizing system for the conversion of alcohols to ketones (aldehydes as well). Trifluoromethoxylated sulfonium species is proposed to be initially formed that engages in crucial steps of alkoxy replacement at sulfonium center and deprotonative collapse of the resulting alkoxysulfonium intermediate in the presence of a base. This reaction is highly selective without over‐oxidation, and can tolerate a broad range of functional groups owing to mild oxidizing ability of the Cu(III)‐CF3/DMSO system and the inert N2 conditions. This method can be applied to the synthesis and functionalization of commercial drug compounds. This study illustrates an unusual reactivity property of high‐valent Cu(III) trifluoromethyl compounds beyond the conventional CF3 group transfer reactivity, and opens up new opportunities for developing novel reactions of Cu(III)‐CF3 compounds. The combined use of high‐valent Cu(III)‐CF3 compound and DMSO is anticipated to find more applications to develop other novel and useful oxidation reactions.
A New Strategy for the Synthesis of (+)‐Crambescin B Decarboxylate
Authors: Yonekura Yuki , Konno Masahide , Ozaki Taku , Nakazaki Atsuo
Published: March 2024

Crambescin B decarboxylate is an inhibitor of voltage‐gated sodium channels and a potential biochemical tool. Herein, we report the asymmetric total synthesis of crambescin B decarboxylate using a new synthetic strategy. The key aspects of this new protocol include: 1) the use of an optically pure epoxide, synthesized by the Jacobsen hydrolytic kinetic resolution, as the starting material for guanidino‐aziridine, and 2) the introduction of the THF ring through nucleophilic substitution using an acyl anion equivalent. The synthetic protocol reported herein is nine steps shorter than the previously reported shortest method. We determined the cytotoxicity and protective effects of crambescin B decarboxylate in mouse‐hippocampus‐derived neuronal HT22 cells with an MTS assay. Cell viability was observed to decrease in a concentration‐dependent manner without cell detachment or shrinkage. In addition, crambescin B decarboxylate protected glutamate‐induced cell death.