bluuebunny/crossref_metadata_2025 huggingface dataset:
Anion‐modulated Ion Conductor with Chain Conformational Transformation for stabilizing Interfacial Phase of High‐Voltage Lithium Metal Batteries
Authors: Wang Chao , Zhao Xiaoxue , Li Dabing , Yan Chong , Zhang Qiang , Fan Li‐Zhen
Published: February 2024

In solid‐state lithium metal batteries (SSLMBs), the inhomogeneous electrolyte‐electrode interphase layer aggravates the interfacial stability, leading to discontinuous interfacial ion/charge transport and continuous degradation of the electrolyte. Herein, we constructed an anion‐modulated ionic conductor (AMIC) that enables in situ construction of electrolyte/electrode interphases for high‐voltage SSLMBs by exploiting conformational transitions under multiple interactions between polymer and lithium salt anions. Anions modulate the decomposition behavior of supramolecular poly (vinylene carbonate) (PVC) at the electrode interface by changing the spatial conformation of the polymer chains, which further enhances ion transport and stabilizes the interfacial morphology. In addition, the AMIC weakens the “Li+‐solvation” and increases Li+ vehicle sites, thereby enhancing the lithium‐ion transport number (tLi+=~0.67). Consequently, Li || LiNi0.8Co0.1Mn0.1O2 cell maintains about 85 % capacity retention and Coulombic efficiency >99.8 % in 200 cycles at a charge cut‐off voltage of 4.5 V. This study provides a new understanding of lithium salt anions regulating polymer chain segment behavior in the solid‐state polymer electrolyte (SPE) and highlights the importance of the ion environment in the construction of interfacial phases and ionic conduction.
Darstellung der chemischen Diversität bioaktiver Meroterpenoide, die vom größten Organismus der Erde produziert werden
Authors: Pfütze Sebastian , Charria‐Girón Esteban , Schulzke Esther , Toshe Rita , Khonsanit Artit , Franke Raimo , Surup Frank , Brönstrup Mark , Stadler Marc
Published: February 2024

In dieser Forschungsarbeit untersuchten wir die Diversität von Melleolid‐Meroterpenoiden, die von Armillaria ostoyae, einem der größten und ältesten Organismen der Erde, produziert werden. Dazu verwendeten wir Extrakte aus flüssiger und fester Kulturführung. Die Studie führte zur Isolierung und Identifikation von drei neuartigen dimeren Bismelleoliden (1–3) und drei neuen fettsäuresubstituierten Kongeneren (4–6) sowie 11 neuen (7–17) und 21 bekannten (18–38) Derivaten. Die Strukturaufklärung erfolgte durch 1D‐ und 2D NMR‐Spektroskopie, HRESI‐MS‐Daten und Analyse der ROESY‐Spektren für relative Konfigurationen. Absolute Konfigurationen wurden durch den Vergleich von Kristallstrukturen und ECD‐Spektren bestimmt. Eine Substanzbibliothek von Melleolid‐Meroterpenoiden ermöglichte eine Metabolomik‐Studie und zeigte Produktionsmuster unter verschiedenen Kulturbedingungen auf. Unter Verwendung dieser Substanzbibliothek wurden die antimikrobiellen und zytotoxischen Aktivitäten der hierin beschriebenen Substanzen untersucht und gezeigt, dass eine Δ2,4‐Doppelbindung nicht entscheidend für die antimykotische Aktivität ist. Die Zytotoxizität war hingegen an das Vorhandensein eines Aldehyds an C‐1 gebunden, ging jedoch durch eine Hydroxylierung an C‐13 verloren. Chemoinformatische Untersuchungen zeigten das komplexe Zusammenspiel zwischen chemischen Modifikationen und biologischen Eigenschaften. Diese Studie stellt die erste systematische Untersuchung der Vielfalt von Meroterpenoiden aus Armillaria spp. mittels MS‐basierter, nicht‐gezielter Metabolomik dar und bietet Einblicke in die Struktur‐Aktivitäts‐Beziehungen dieser Substanzklasse durch innovative Chemoinformatische Ansätze.
Ring Expansion toward Disila‐carbocycles via Highly Selective C−Si/C−Si Bond Cross‐Exchange
Authors: Liu Min , Yan Nuo , Tian Haowen , Li Bo , Zhao Dongbing
Published: February 2024

Herein, we successfully inhibited the preferential homodimerization and C−Si/Si−H bond cross‐exchange of benzosilacyclobutenes and monohydro‐silacyclobutanes and achieved the first highly selective C−Si/C−Si bond cross‐exchange reaction by deliberately tuning the Ni‐catalytic system, which constitutes a powerful and atom‐economical ring expansion method for preparing medium‐sized cyclic compounds bearing two silicon atoms at the ring junction, which are otherwise inaccessible. The DFT calculation explicitly elucidated the pivotal role of Si−H bond at silacyclobutanes and the high ring strain of two substrates in realizing the two C−Si bonds cleavage and reformation in the catalytic cycle.
Water‐Tolerant Superbase Polyoxometalate [H2(Nb6O19)]6− for Homogeneous Catalysis
Authors: Kikkawa Soichi , Fujiki Yu , Chudatemiya Vorakit , Nagakari Hiroki , Shibusawa Kazuki , Hirayama Jun , Nakatani Naoki , Yamazoe Seiji
Published: February 2024

Here, doubly protonated Lindqvist‐type niobium oxide cluster [H2(Nb6O19)]6–, fabricated by microwave‐assisted hydrothermal synthesis, exhibited superbase catalysis for Knoevenagel and crossed aldol condensation reactions accompanied by activating C−H bond with pKa >26 and proton abstraction from a base indicator with pKa=26.5. Surprisingly, [H2(Nb6O19)]6− exhibited water‐tolerant superbase properties for Knoevenagel and crossed aldol condensation reactions in the presence of water, although it is well known that the strong basicity of metal oxides and organic superbase is typically lost by the adsorption of water. Density functional theory calculation revealed that the basic surface oxygens that share the corner of NbO6 units in [H2(Nb6O19)]8− maintained the negative charges even after proton adsorption. This proton capacity and the presence of un‐protonated basic sites led to the water tolerance of the superbase catalysis.
Innovation and Team Spirit: The Magic of Science Competitions Seen through the Lens of the Compound Challenge
Authors: Seipp Charles A. , Monks Brendan Michael , Karnysh Iuliia , Betz Ulrich A. K.
Published: February 2024

For five years now, Merck KGaA, Darmstadt, Germany has hosted The Compound Challenge—a global retrosynthesis competition. When the event kicked off in 2018 on the occasion of the 350th anniversary of the company, no one could have predicted the path it would take—from a novel competition to a pivotal event within the synthetic chemistry community. But what makes the Compound Challenge tick and what drives its popularity? And, more importantly, what lessons can be taken from the Compound Challenge and applied to other challenges in scientific education and outreach? In this Viewpoint Article we will tell the story of the Compound Challenge, from its inception to its current status. Through examining feedback following each of its iterations, we begin to define what makes an open innovation challenge so compelling. It is our hope that educators, leaders, and innovators will be able to learn from our successes as well as our mistakes and apply these lessons to their future outreach activities.
Depicting the Chemical Diversity of Bioactive Meroterpenoids Produced by the Largest Organism on Earth
Authors: Pfütze Sebastian , Charria‐Girón Esteban , Schulzke Esther , Toshe Rita , Khonsanit Artit , Franke Raimo , Surup Frank , Brönstrup Mark , Stadler Marc
Published: February 2024

In this investigation, we explored the diversity of melleolide‐type meroterpenoids produced by Armillaria ostoyae, one of the largest and oldest organisms on Earth, using extracts from liquid and solid fermentation media. The study unveiled three unprecedented dimeric bismelleolides and three novel fatty‐acid‐substituted congeners, along with 11 new and 21 known derivatives. The structures were elucidated by 1D and 2D NMR spectroscopy and HRESI‐MS, and ROESY spectral analysis for relative configurations. Absolute configurations were determined from crystal structures and through ECD spectra comparison. A compound library of melleolide‐type meroterpenoids facilitated metabolomics‐wide associations, revealing production patterns under different culture conditions. The library enabled assessments of antimicrobial and cytotoxic activities, revealing that the Δ2,4 double bond is not crucial for antifungal activity. Cytotoxicity was linked to the presence of an aldehyde at C1, but lost with hydroxylation at C13. Chemoinformatic analyses demonstrated the intricate interplay of chemical modifications on biological properties. This study marks the first systematic exploration of Armillaria spp. meroterpenoid diversity by MS‐based untargeted metabolomics, offering insight into structure–activity relationships through innovative chemoinformatics.
Total Synthesis of Principinol B
Authors: Du Qiang , Fan Zhibo , Yang Ming
Published: February 2024

We have accomplished the first and asymmetric total synthesis of principinol B, a grayanoid possessing an oxabicyclo[3.2.1] architecture. A functionalized 5/7/6/5 tetracyclic intermediate was assembled in a convergent manner by a diastereoselective intermolecular aldol reaction and subsequent carbonyl–olefin metathesis of two enantiomerically enriched fragments. The oxabicyclo[3.2.1] architecture containing a 6,10‐ether bridge was constructed by the Williamson ether synthesis.
Topology Controlled All‐(Meth)acrylic Thermoplastic Elastomers by Multi‐Functional Lewis Pairs‐Mediated Polymerization
Authors: Li Chengkai , Zhao Wuchao , He Jianghua , Zhang Yuetao
Published: February 2024

It remains challenging to synthesize all‐(meth)acrylic triblock thermoplastic elastomers (TPEs), due to the drastically different reactivities between the acrylates and methacrylates and inevitable occurrence of side reactions during polymerization of acrylates. By taking advantage of the easy structural modulation features of N‐heterocyclic olefins (NHOs), we design and synthesize strong nucleophilic tetraphenylethylene‐based NHOs varying in the number (i.e. mono‐, dual‐ and tetra−) of initiating functional groups. Its combination with bulky organoaluminum [iBuAl(BHT)2] (BHT=bis(2,6‐di‐tBu‐4‐methylphenoxy)) constructs Lewis pair (LP) to realize the living polymerization of both acrylates and methacrylates, furnishing polyacrylates with ultrahigh molecular weight (Mn up to 2174 kg ⋅ mol−1) within 4 min. Moreover, these NHO‐based LPs enable us to not only realize the control over the polymers’ topology (i.e. linear and star), but also achieve triblock star copolymers in one‐step manner. Mechanical studies reveal that the star triblock TPEs exhibit better mechanical properties (elongation at break up to 1863 % and tensile strength up to 19.1 MPa) in comparison with the linear analogs. Moreover, the presence of tetraphenylethylene group in the NHOs entitled the triblock TPEs with excellent AIE properties in both solution and solid state.
Topologically Tunable Conjugated Metal–Organic Frameworks for Modulating Conductivity and Chemiresistive Properties for NH3 Sensing
Authors: Shan Zhen , Xiao Jian‐Ze , Wu Miaomiao , Wang Jinjian , Su Jian , Yao Ming‐Shui , Lu Ming , Wang Rui , Zhang Gen
Published: February 2024

Electrically conductive metal–organic frameworks (cMOFs) have garnered significant attention in materials science due to their potential applications in modern electrical devices. However, achieving effective modulation of their conductivity has proven to be a major challenge. In this study, we have successfully prepared cMOFs with high conductivity by incorporating electron‐donating fused thiophen rings in the frameworks and extending their π‐conjugated systems through ring‐closing reactions. The conductivity of cMOFs can be precisely modulated ranging from 10−3 to 102 S m−1 by regulating their dimensions and topologies. Furthermore, leveraging the inherent tunable electrical properties based on topology, we successfully demonstrated the potential of these materials as chemiresistive gas sensors with an outstanding response toward 100 ppm NH3 at room temperature. This work not only provides valuable insights into the design of functional cMOFs with different topologies but also enriches the cMOF family with exceptional conductivity properties.
A Fluorous Peptide Amphiphile with Potent Antimicrobial Activity for the Treatment of MRSA‐induced Sepsis and Chronic Wound Infection
Authors: Hu Jingjing , Liu Nan , Fan Qianqian , Gu Yunqing , Chen Sijia , Zhu Fang , Cheng Yiyun
Published: February 2024

The rising prevalence of global antibiotic resistance evokes the urgent need for novel antimicrobial candidates. Cationic lipopeptides have attracted much attention due to their strong antimicrobial activity, broad‐spectrum and low resistance tendency. Herein, a library of fluoro‐lipopeptide amphiphiles was synthesized by tagging a series of cationic oligopeptides with a fluoroalkyl tail via a disulfide spacer. Among the lipopeptide candidates, R6F bearing six arginine moieties and a fluorous tag shows the highest antibacterial activity, and it exhibits an interesting fluorine effect as compared to the non‐fluorinated lipopeptides. The high antibacterial activity of R6F is attributed to its excellent bacterial membrane permeability, which further disrupts the respiratory chain redox stress and cell wall biosynthesis of the bacteria. By co‐assembling with lipid nanoparticles, R6F showed high therapeutic efficacy and minimal adverse effects in the treatment of MRSA‐induced sepsis and chronic wound infection. This work provides a novel strategy to design highly potent antibacterial peptide amphiphiles for the treatment of drug‐resistant bacterial infections.
Gold(I) N‐heterocyclic carbene (NHC) complexes containing 6‐mercaptopurine derivatives and their in vitro anticancer and anti‐inflammatory effects
Authors: Trávníček Zdeněk , Vančo Ján , Čajan Michal , Belza Jan , Popa Igor , Hošek Jan , Lenobel René , Dvořák Zdeněk
Published: February 2024

A series of eight N‐heterocyclic carbenes (NHC) gold(I) complexes, involving 1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene (iPr) ligand in combination with 6‐mercaptopurine derivatives (HL1–8), has been prepared and thoroughly characterized, including elemental analysis, mass spectrometry, infrared and multinuclear NMR spectroscopy, and single crystal X‐ray analysis. The complexes, showing general composition of [Au (iPr)(Ln)] 1–8, were evaluated for their in vitro cytotoxicity against four human cancer cell lines including A2780 (ovarian) and A2780R (ovarian Cisplatin resistant), PC3 (prostate) and MCF‐7 (breast), and normal human MRC‐5 cells (lung fibroblasts). The complexes revealed significant cytotoxicity, with the best IC50 values ≈ 3.4–6.4 μM against A2780 and reasonable selectivity. Cellular effects of the selected complexes on the A2780 cells were evaluated using various flow cytometry assays. Complexes 1, 3, and 4 showed a strong pro‐apoptotic effect and a strong effect on the loss of mitochondrial membrane potential. These findings indicate that their major mechanism of action is based on the collapse of the mitochondrial metabolism and activation of the intrinsic signaling pathway of apoptosis, consequently resulting in cell death. The complexes 1–8 revealed only negligible effect on the production of inflammatory‐related cytokine (TNF‐α), as well as the activation of nuclear factor kappa‐light‐chain‐enhancer of activated B cells (NF‐κB) or peroxisome proliferator‐activated receptor gamma (PPARγ). Moreover, the shotgun proteomic analysis was performed, and the obtained results suggest that the mechanism of action of complexes 1, 3, and 4 differs somewhat from that of Auranofin.
Enhanced hydrolytic stability and photocatalytic performance of a uranium‐based organic framework by hybrid carbon nanotubes
Authors: Gu Dongxu , Qin Xudong , Che Guang , Chen Lu , Yang Weiting
Published: February 2024

Owing to their highly predictable porous structures, facile synthesis, and the presence of functional open metal sites, metal–organic frameworks (MOFs) are extensively employed in various fields, including energy storage, catalysis, adsorption, and separation. Nevertheless, the limited hydrolytic stability exhibited by numerous MOFs poses a significant challenge to their practical application. In the present study, we present the synthesis and characterization of a uranyl organic framework (TCPP‐U1) with a highly porous structure, which is constructed by assembling cobalt, uranyl, and the porphyrin ligand 5,10,15,20‐tetra(4‐carboxyphenyl)porphyrin (TCPP). However, TCPP‐U1 demonstrates poor hydrolytic stability when exposed to water (the structure can be destroyed even after 2 min of exposure to water), greatly impeding its potential applications that would benefit from its high surface area. To address this limitation, we developed a hybrid composite by incorporating acid‐treated multi‐walled carbon nanotubes (CNTs) into the TCPP‐U1 framework via a solvothermal method designated as CNTs@TCPP‐U1. Remarkably, the obtained CNTs@TCPP‐U1 composite possesses an identical crystal structure and morphology to the original TCPP‐U1 yet exhibits significant enhancements in hydrolytic stability (the structure remains stable even after 3 days of immersion in water). Furthermore, CNTs@TCPP‐U1 demonstrates a significant photocatalytic effect on the degradation of tetracycline hydrochloride in aqueous solutions. The reaction rate constant (k) for the pseudo‐first‐order kinetic model is 0.0059 min−1. Our findings present a novel perspective for enhancing the stability and expanding the performance of MOFs materials.
Monitoring the movement, habitat use and mortality of captive‐bred reintroduced gharials in the Mahanadi River, India
Authors: Rath Laxmi Prasad , Dash Suraj Kumar , Khan Ashaharraza , Mohapatra Rajesh Kumar , Kumar Sanjeet , Nair Manoj V. , Paul Shashi , Maharana Sudarsan
Published: February 2024

Gharials (Gavialis gangeticus) are endemic to the Indian subcontinent and meet IUCN Red List criteria for critically endangered.

The Mahanadi River, located in the southernmost part of the gharial range, currently has a few individuals survived although historically had many more.

Between 2019 and 2021, the movement, habitat use and survival rate of 13 captive‐bred (juvenile = 6, subadult = 5, adult = 2) reintroduced gharials were monitored using very high frequency (VHF) radio transmitters tracked manually from the river banks. Kernel density estimates and generalized linear model (GLM) were used to investigate the home range and habitat use of individuals.

Tagged gharials travelled throughout the river system, with the highest movement during summer and the least in winter. Females moved further and established larger linear home ranges than males. Kernel home ranges were established in and around the Satkosia Gorge wildlife sanctuary, which has favourable ecological conditions for gharials, namely, deep water, sandbars, abundant fish and low human disturbance.

Gharial mortality was detected during the study, and post‐mortem examination indicated anthropogenic causes. The use of explosives for fishing, entanglement in fishing nets and a lack of ecological awareness within local communities were identified as key factors that need to be addressed if gharials are to survive the Mahanadi River.
Intact shallow and mesophotic assemblages of large carnivorous reef fishes underscore the importance of large and remote protected areas in the Coral Triangle
Authors: Salvador Mikaela L. , Utzurrum Jean Asuncion T. , Murray Ryan , Delijero Kymry , Conales Segundo F. , Bird Christopher E. , Gauthier David T. , Abesamis Rene A.
Published: February 2024

Overfishing remains a threat to coral reef fishes worldwide, with large carnivores often disproportionately vulnerable. Marine protected areas (MPAs) can restore fish populations and biodiversity, but their effect has been understudied in mesophotic coral ecosystems (MCEs), particularly in the Coral Triangle.

Videos were analysed from baited remote underwater video systems deployed in 2016 to investigate the assemblage structure of large carnivorous fishes at shallow (4–12 m) and mesophotic (45–96 m) depths in two of the largest and most isolated MPAs in the Philippines: an uninhabited, fully no‐take MPA enacted in 1988 (Tubbataha Reefs Natural Park) and an archipelagic municipality surrounded by an extensive but not fully no‐take MPA declared in 2016 (Cagayancillo). Taxa focused on were groupers (Serranidae), snappers (Lutjanidae), emperors (Lethrinidae), jacks (Carangidae) and the endangered Cheilinus undulatus (Labridae).

Mean abundance and species richness were not greater in TRNP than in Cagayancillo regardless of depth despite long‐term protection in the former. Limited impacts of fishing in Cagayancillo may explain this result. Differentiation of fish assemblages was evident between TRNP and Cagayancillo but more obvious between depths at each location, probably due more to habitat than MPA effects. In Cagayancillo, overall carnivorous reef fish, grouper and jack mean abundance were 2, 2 and 10 times higher, respectively, at mesophotic depths, suggesting that MCEs can serve as deep refugia from fishing.

These findings of differentiation between depths and higher abundance of certain taxa in mesophotic depths emphasize that MCEs are distinct from shallow reefs, serve as important habitat for species susceptible to overfishing and, thus, must be explicitly included in the design of MPAs. This study also highlights the value of maintaining strict protection of MPAs like TRNP for the Coral Triangle and an opportunity to safeguard intact fish assemblages in Cagayancillo by expanding its no‐take zones.
Robust platform for inline Raman monitoring and control of perfusion cell culture
Authors: Wan Boyong , Patel Misaal , Zhou George , Olma Michael , Bieri Marco , Mueller Marvin , Appiah‐Amponsah Emmanuel , Patel Bhumit , Jayapal Karthik
Published: February 2024

Perfusion cell culture has been gaining increasing popularity for biologics manufacturing due to benefits such as smaller footprint, increased productivity, consistent product quality and manufacturing flexibility, cost savings, and so forth. Process Analytics Technologies tools are highly desirable for effective monitoring and control of long‐running perfusion processes. Raman has been widely investigated for monitoring and control of traditional fed batch cell culture process. However, implementation of Raman for perfusion cell culture has been very limited mainly due to challenges with high‐cell density and long running times during perfusion which cause extremely high fluorescence interference to Raman spectra and consequently it is exceedingly difficult to develop robust chemometrics models. In this work, a platform based on Raman measurement of permeate has been proposed for effective analysis of perfusion process. It has been demonstrated that this platform can effectively circumvent the fluorescence interference issue while providing rich and timely information about perfusion dynamics to enable efficient process monitoring and robust bioreactor feed control. With the highly consistent spectral data from cell‐free sample matrix, development of chemometrics models can be greatly facilitated. Based on this platform, Raman models have been developed for good measurement of several analytes including glucose, lactate, glutamine, glutamate, and permeate titer. Performance of Raman models developed this way has been systematically evaluated and the models have shown good robustness against changes in perfusion scale and variations in permeate flowrate; thus models developed from small lab scale can be directly transferred for implementation in much larger scale of perfusion. With demonstrated robustness, this platform provides a reliable approach for automated glucose feed control in perfusion bioreactors. Glucose model developed from small lab scale has been successfully implemented for automated continuous glucose feed control of perfusion cell culture at much larger scale.
Synthesis of Competitive and Noncompetitive Inhibitors of Alpha‐Glucosidase and Anticancer Agents
Authors: Ghani Usman , Syed Saeed Ali , Aljunidel Sarah , Khan Anis Ahmad , Nur‐e‐Alam Mohammad , AlNoshan Abdulrahman , Al‐Rehaily Adnan J. , AlObaid Abdulrahman , Bari Ahmed
Published: February 2024

Imidazoles and phenylthiazoles are an important class of heterocycles that demonstrate a wide range of biological activities against various types of cancers, diabetes mellitus and pathogenic microorganisms. The heterocyclic structure having oxothiazolidine moiety is an important scaffold present in various drugs, with potential for enzyme inhibition. In an effort to discover new heterocyclic compounds, we synthesized 26 new 4,5‐diphenyl‐1H‐imidazole, phenylthiazole, and oxothiazolidine heterocyclic analogues that demonstrated potent α‐glucosidase inhibition and anticancer activities. Majority of the compounds noncompetitively inhibited α‐glucosidase except for two that exhibited competitive inhibition of the enzyme. Docking results suggested that the noncompetitive inhibitors bind to an apparent allosteric site on the enzyme located in the vicinity of the active site. Additionally, the analogues also exhibited significant activity against various types of cancers including non‐small lung cancer. Since tubulin protein plays an important role in the pathogenesis of non‐small lung cancer, molecular docking with one of the target compounds provided important clues to its binding mode. The current work on imidazoles and phenylthiazole derivatives bears importance for designing of new antidiabetic and anticancer drugs.
One Pot Synthesis and Biological Activity Studies of New Spirooxindoles
Authors: Omidvar Amir Reza , Asghari Sakineh , Ghasempour Leila , Mohseni Mojtaba
Published: February 2024

This article reports one‐pot synthesis of ten novel spirooxindoles using 5‐methyl‐2‐thiohydantoin, isatin derivatives, and malononitrile in good to high yields (65‐90 %). The structures of the synthesized compounds were deduced by 1H‐NMR, 13C NMR, FT‐IR, and Mass spectral data. The antibacterial activity of the compounds was evaluated against two Gram‐positive bacteria (Staphylococcus aureus and Bacillus subtilis) and two Gram‐negative bacteria (Escherichia coli and Pseudomonas aeruginosa) based on the Kirby‐Bauer method. According to the obtained data, the synthesized compounds show more activity against Gram‐positive bacteria than Gram‐negative bacteria. Also, the antioxidant activity of these compounds was measured using the DPPH radical scavenging test method, which showed good to excellent activity (59.65–94.03 %). Among them, the chlorinated derivatives (4 f–j) exhibited more antioxidant activity (84.85–94.03 %) than the other compounds (4 a–e) (56.65–74.4 %) and even ascorbic acid as a standard antioxidant compound (82.3 %).
Synthesis and Antifungal Properties of 1,2,4‐Triazole Schiff Base Agents Based on a 3D‐QSAR Model
Authors: Hao Yun , Feng Yunrui , Dong Yangming , Ren Yinghui , Huang Jie , Ma Haixia , Wang Cuiling , Jin Kangrui , Shang Dongyuan , Zhang Xiaobin
Published: February 2024

Based on our previous research, a 3D‐QSAR model (q2=0.51, ONC=5, r2=0.982, F=271.887, SEE=0.052) was established to predict the inhibitory effects of triazole Schiff base compounds on Fusarium graminearum, and its predictive ability was also confirmed through the statistical parameters. According to the results of the model design, 30 compounds with superior bioactivity compared to the template molecule 4 were obtained. Seven of these compounds (DES2‐6, DES9‐10) with improved biological activity and readily available raw materials were successfully synthesized. Their structures were confirmed through HRMS, NMR, and single crystal X‐ray diffraction analysis (DES‐5). The bioactivity of the final products was investigated through an in vitro antifungal assay. There was little difference in the EC50 values between the experimental and predicted values of the model, demonstrating the reliability of the model. Especially, DES‐3 (EC50=9.915 mg/L) and DES‐5 (EC50=9.384 mg/L) exhibited better inhibitory effects on Fusarium graminearum compared to the standard drug (SD) triadimenol (EC50=10.820 mg/L). These compounds could serve as potential new fungicides for future research. The interaction between the final products and isocitrate lyase (ICL) was investigated through molecular docking. Compounds with R groups that have a higher electron‐donating capacity were found to be biologically active.
The experiences of men in prison who do not receive visits from family or friends: A qualitative systematic review
Authors: Burns Dean , Murray Conor , Ferguson Jennifer , Moore Linda
Published: February 2024

Background

Visits present an opportunity for prisoners to preserve family ties and reduce isolation, but not all receive visits from family or friends whilst incarcerated.

Aims

To locate, appraise and synthesise qualitative data on the experiences of adult male prisoners (aged 18 years+) who do not receive prison visits from family or friends.

Methods

Nine electronic databases were searched from the date of their inception until March 2023. The quality of included studies was assessed using the Critical Appraisal Skills Programme checklist for qualitative studies, and data from the studies were synthesised using the thematic synthesis method.

Results

Eighteen studies from seven countries (the USA, the UK [England, Northern Ireland & Scotland], Canada, Netherlands and the Philippines) were eligible for inclusion. Three main themes emerged: (1) reasons for not receiving visits, (2) harmful effects of not receiving visits and (3) the value of volunteer visitor programmes. Practical problems were cited as interfering with visiting opportunities, but also some prisoners or families chose not to meet in prison. Loneliness and depression were extensively described as effects of not receiving visits. Qualities associated with volunteer visitors included raised self‐esteem, improved mood and personal growth.

Conclusion

Narratives of the experiences of adult men in prison without visits from family or friends suggest that not only the practical difficulties of imprisonment affect visiting; barriers that prisoners themselves impose would merit further exploration, as would family and relationship dynamics during incarceration and the emotional impact of prison visits, for both prisoners and their families. There are suggestions of therapeutic as well as humanitarian benefits from volunteer visiting programmes. There is a gap in the literature about any specific effect on rebuilding family relationships.
Methods for conducting a living evidence profile on mpox: An evidence map of the literature
Authors: Pussegoda Kusala , Corrin Tricia , Baumeister Austyn , Ayache Dima , Waddell Lisa
Published: February 2024

Background

In May of 2022, several cases of mpox were identified in multiple nonendemic countries and on July 23, 2022 the World Health Organization declared mpox a Public Health Emergency of International Concern. During the first six months of the outbreak there was an urgent need to have up‐to‐date synthesized evidence on mpox to inform public health decision‐making. At this point, evidence is changing too quickly for traditional evidence synthesis methods, as systematic reviews were out‐of‐date before publication. This paper describes the framework developed to manage and maintain a living evidence profile (LEP) to systematically identify, classify and synthesize evidence on a broad range of mpox topics at a rapid pace as the outbreak unfolded.

Methods

The LEP framework was based on principles of evidence synthesis, risk assessment, priority epidemiological parameters for infectious disease modeling and consultation with experts. The framework consisted of a systematic search conducted twice weekly; study selection; categorization into pre‐determined foci and data extraction; integration and synthesis of evidence; internal peer‐review and dissemination to stakeholders.

Results

Between April 14 and December 15, 2022, 2287 citations were identified, 687 were primary research studies or surveillance reports on the 2022 mpox outbreak and 496 were included in the final LEP. Each study was mapped to one of 32 foci and evidence was narratively synthesized. From June to December 2022, 23 LEPs were produced (approximately weekly) along with a searchable database of extracted data of the mpox literature. They were disseminated globally to public health researchers and decision‐makers to inform public health response efforts.

Conclusions

The LEP framework is applicable to other public health emergencies when a rapid synthesis cycle is required because the evidence is evolving quickly. This efficient methodology for creating up‐to‐date summaries of the current evidence during the first few months of an outbreak or emergency supports public health decision‐making and response activities.
Strategies to achieve effective nitrogen activation
Authors: Chang Bin , Zhang Huabin , Sun Shuhui , Zhang Gaixia
Published: February 2024

Ammonia serves as a crucial chemical raw material and hydrogen energy carrier. Aqueous electrocatalytic nitrogen reduction reaction (NRR), powered by renewable energy, has attracted tremendous interest during the past few years. Although some achievements have been revealed in aqueous NRR, significant challenges have also been identified. The activity and selectivity are fundamentally limited by nitrogen activation and competitive hydrogen evolution. This review focuses on the hurdles of nitrogen activation and delves into complementary strategies, including materials design and system optimization (reactor, electrolyte, and mediator). Then, it introduces advanced interdisciplinary technologies that have recently emerged for nitrogen activation using high‐energy physics such as plasma and triboelectrification. With a better understanding of the corresponding reaction mechanisms in the coming years, these technologies have the potential to be extended in further applications. This review provides further insight into the reaction mechanisms of selectivity and stability of different reaction systems. We then recommend a rigorous and detailed protocol for investigating NRR performance and also highlight several potential research directions in this exciting field, coupling with advanced interdisciplinary applications, in situ/operando characterizations, and theoretical calculations.
Experimental Heat Transfer Coefficients for Zeotropic Mixture Condensation of Hexamethyldisiloxane/Octamethyltrisiloxane and Ethanol/Hexamethyldisiloxane
Authors: Zimmermann Conrad , Lubos Nico , Kabelac Stephan
Published: February 2024

Legal requirements for refrigerants necessitate a continuous development of these fluids, also focusing on mixtures. This article contributes three aspects to the ongoing research: (1) Experimental mean heat transfer coefficients were determined for the condensation of two novel zeotropic mixtures, hexamethyldisiloxane (MM)/octamethyltrisiloxane and ethanol/MM, gathered for filmwise condensation on a vertical tube. (2) Both mixtures were investigated with several compositions to provide a comprehensive understanding of the mixture effects. (3) The results were taken to develop a novel superposition approach to predict mixture condensation.
Switchable Multicomponent Cyclization Reactions to Access Fluoroalkylated Dihydropyrimidines and Pyrimidines under Solvent‐Free Conditions
Authors: Zuo Wanqing , Zhu Zhizhen , Cheng Yu , Zuo Lingling , Geng Xiao , Li Zhifang , Wang Lei
Published: February 2024

Comprehensive Summary

The development of switchable solvent‐free multicomponent reactions to build high‐value‐added products is an important demand for organic synthesis. Herein, we detailed the successful implementation of a switchable strategy for the construction of diverse 4‐fluoroalkyl‐1,4‐dihydropyrimidines and 4‐fluoroalkyl‐pyrimidines via a solvent/additive‐free [3 + 2 + 1] annulation, starting from readily available enamines, trifluoroacetaldehyde hydrate or 1‐ethoxy‐2,2‐difluoroethanol and amidines hydrochloride. This reaction conforms to the concept of green synthesis, and provides a new avenue to access valuable fluorinated heterocycles.
Transition‐Metal‐Free Allylic Defluorination Cross‐Electrophile Coupling Employing Rongalite
Authors: Chen Xiang‐Long , Wu Chun‐Yan , Yang Dong‐Sheng , Tang Bo‐Cheng , Wang Huai‐Yu , Yu Zhi‐Cheng , Li Anling , Wu Yan‐Dong , Wu An‐Xin
Published: February 2024

Comprehensive Summary

The conversion of CF3‐alkenes to gem‐difluoroalkenes using reductive cross‐coupling strategy has received much attention in recent years, however, the use of green and readily available reducing salt to mediate these reactions remains to be explored. In this work, a concise construction of gem‐difluoroalkenes, which requires neither a catalyst nor a metal reducing agent, was established. Rongalite, a safe and inexpensive industrial product, was employed as both a radical initiator and reductant. This procedure was compatible with both linear and cyclic diaryliodonium salts, enabling a wide variety of substrates (>70 examples). The utility of this approach was demonstrated through gram‐scale synthesis and efficient late‐stage functionalizations of anti‐inflammatory drugs.
Temporal dynamics, meteorological effects, secondary organic aerosol estimation, and source identification of size‐segregated carbonaceous aerosols
Authors: Tarhan Burçak , Koçak Ebru
Published: February 2024

During the period 2019–2020, size‐segregated aerosol samples containing elemental and organic carbon (EC and OC) were investigated. These samples were collected weekly using an eight‐stage cascade impactor from an urban site located at Aksaray University, Aksaray. The quantification of EC and OC was carried out through a thermal‐optical transmission device. The results revealed consistent size distribution attributes of EC and OC between winter and summer. Although EC accounted for an insignificant percentage (4.4%) of particulate matter (PM) in the PM9.0–10.0 fraction during winter, a more substantial portion of OC in the same fraction (13.4%) comprised EC. Seasonal variations were distinct for EC but not significant for OC. Strong correlations between OC and EC were observed in coarse particle fractions, indicating a common source, with weaker correlations in fine particles. The highest OC/EC ratio was in the PM0.43–0.65 fraction, followed by PM2.1–3.3. The ratio of OC to EC in fine PM exceeded the threshold of 15 consistently. The observation indicates that as particle size increases, there is a noticeable decline in the OC to EC ratios. Secondary organic aerosols (SOA) accounted for 60.8% (winter) and 89.8% (summer) of OC values, emphasizing the substantial impact of SOA on Aksaray's atmosphere. Both seasons exhibited a multimodal distribution of ambient OC. In winter, the EC distribution was dominated by fine particles, with a bimodal pattern (PM1.1–2.1 and PM0.43–0.65 peaks). Common pollutant sources, including traffic emissions, road dust, biogenic emissions, and coal combustion, were identified for both seasons in coarse and fine particle fractions. These findings underscore the importance of emission control strategies targeting fine PM in Aksaray.
Functionalized typha biochar for antibiotic removal via low‐carbon integrated method: Performance and mechanism analyses
Authors: Liu Jingrong , Wen Jing , Hu Jingtao , Ma Yuxuan , Wang Xiaojing , Li Huiqin
Published: February 2024

Antibiotic residues in water represent an urgent environmental challenge. To efficiently remove these residues, a low‐carbon integrated biochar synthesis method was proposed, and an optimized typha biochar (TBIK) was prepared. Compared with the biochar prepared by a conventional two‐step carbonization and activation method (TBTK), the TBIK preparation process reduced energy consumption by 43849.58 J and cut carbon dioxide emissions by 32.80%. TBIK exhibited a large surface area of 1252.40 m2/g and rapidly achieved an equilibrium removal efficiency of 99.95% within 20 min for simulated antibiotics wastewater. Furthermore, TBIK possessed more number of functional groups than TBTK, especially O‐H and C‐S groups. The adsorption stability and tolerance of TBIK in solutions with different ionic strengths and coexisting anions were examined. Characterization techniques such as scanning electron microscopy (SEM), Fourier transform infrared (FT‐IR), and X‐ray photoelectron spectroscopy (XPS) as well as Brunauer, Emmett and Teller (BET) analyses were employed to elucidate the morphology and adsorption mechanism of the adsorbent. The microporous structure and abundance of functional groups are key to the excellent adsorption capabilities of TBIK. Thus, this integrated method for biochar production, optimized for treating antibiotic wastewater, holds significant potential for future applications.
Metastasis‐associated 1 localizes to the sarcomeric Z‐disc and is implicated in skeletal muscle pathology
Authors: Xue Hongsheng , Han Li , Sun Haidi , Piao Zhe , Cao Wenjun , Qian Haili , Zhao Zhilong , Lang Ming‐Fei , Gu Chundong
Published: February 2024

Metastasis‐associated 1 (MTA1), a subunit of the nucleosome remodeling and histone deacetylation (NuRD) corepressor complex, was reported to be expressed in the cytoplasm of skeletal muscles. However, the exact subcellular localization and the functional implications of MTA1 in skeletal muscles have not been examined. This study aims to demonstrate the subcellular localization of MTA1 in skeletal muscles and reveal its possible roles in skeletal muscle pathogenesis. Striated muscles (skeletal and cardiac) from C57BL/6 mice of 4–5 weeks were collected to examine the expression of MTA1 by Western blotting and immunohistochemistry. Immunofluorescence and immunoelectron microscopy were performed for MTA1, α‐actinin (a Z‐disc marker protein), and SMN (survival of motor neuron) proteins. Gene Expression Omnibus (GEO) data sets were analyzed using the GEO2R online tool to explore the functional implications of MTA1 in skeletal muscles. MTA1 expression was detected by Western blotting and immunohistochemistry in skeletal and cardiac muscles. Subcellular localization of MTA1 was found in the Z‐disc of sarcomeres, where α‐actinin and SMN were expressed. Data mining of GEO profiles suggested that MTA1 dysregulation is associated with multiple skeletal muscle defects, such as Duchenne muscular dystrophy, Emery‐Dreifuss muscular dystrophy, nemaline myopathy, and dermatomyositis. The GEO analysis also showed that MTA1 expression gradually decreased with age in mouse skeletal muscle precursor cells. The subcellular localization of MTA1 in sarcomeres of skeletal muscles implies its biological roles in sarcomere structures and its possible contribution to skeletal muscle pathology.
Recent Advancements in α‐Ga2O3Thin Film Growth for Power Semiconductor Devices via Mist CVD Method: A Comprehensive Review
Authors: Mondal Abhay Kumar , Ping Loh Kean , Haniff Muhammad Aniq Shazni Mohammad , Bahru Raihana , Mohamed Mohd Ambri
Published: February 2024

This review discusses the impact of alpha‐gallium oxide (α‐Ga2O3) on potential high‐power device applications. To date, there are high requirements for efficient high‐power delivery and low‐power loss device material in power industries. III‐VI oxide semiconductor family, α‐Ga2O3,is recognized as a promising, future power semiconductor material owing to its ultrawide bandgap of 5.3 eV, high breakdown field of 10 MV cm−1, and a large Baliga's figure of merit. A highly expected α‐Ga2O3power semiconductor electronic device (Schottky barrier diode and field effect transistor) can perform better than conventional semiconductor materials Si, SiC, and GaN. However, there is a lack of research into using mist CVD to cultivate high‐quality α‐Ga2O3for high‐power devices like FETs and SBDs. Currently, the mist CVD‐grown α‐Ga2O3thin film power device is still in its early stages, and one of the main reasons for this is defects of the thin film, which impede material electron mobility. The purpose of writing this article is to provide an overview of the development of α‐Ga2O3heteroepitaxial thin film by the mist CVD process for use in high‐power devices such as Schottky barrier diodes (SBD) and field effect transistors (MOSFET). 1. α‐Ga2O3α‐Ga2O3. Furthermore, multiple viewpoints highlight the challenges and future trends toward device performance sustainability in a scientific society.
Impact of mergers on conflicts at universities—Conclusions from courts decisions
Authors: Stachowiak‐Kudła Monika , Westa Sina , Meix‐Cereceda Pablo , Azorín‐Toboso Juan
Published: February 2024

Despite the growing popularity of mergers in higher education, limited research examines their impact on conflicts within the affected universities and their surroundings. The article discusses the issue of university mergers in Belgium, Germany, and Spain, which were so severe that they required resolution by a constitutional court. The methods include an analysis of constitutional courts' judgments, supported by the analysis of literature and legal acts concerning higher education. The results indicate that both forced and voluntary mergers lead to fierce conflicts resolved by constitutional courts. Conflicts may arise not only in universities to be merged or already merged but also within the institutional environment of the university. In addition to the unified universities themselves, participants in such conflicts may also include competing universities, professional associations, student unions, and governmental bodies. In court disputes regarding the merging of universities, a violation of the university's right to autonomy and/or of academic freedom in general are usually alleged. The results also show that the different structures and organizational cultures of universities need not presage the failure of the merger.
EMCDDA framework and practical guidance for naming cathinones
Authors: Pulver Benedikt , Fischmann Svenja , Gallegos Ana , Christie Rachel
Published: February 2024

Cathinones are often sold as “legal” alternatives to controlled stimulants such as amphetamine, MDMA and cocaine. Cathinones are the second largest group of new psychoactive substances (NPS), with close to 170 monitored by the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA). Although all cathinones are related to the parent compound cathinone, one of the psychoactive principles in khat, assigning consistent, informative and user‐friendly common names to these substances is challenging. Over time different naming approaches have been applied, leading to cathinones being known by several names. This work provides a framework and practical examples for the consistent naming of cathinones which is easy to understand and can be applied by the forensic community, researchers, clinical practitioners, and policy makers. The scope of the issue and rationale for earlier naming approaches are also discussed. The new naming framework has been developed based on established naming approaches and centered around the common “cathinone,” and “phenone” motifs/scaffolds. The proposed framework establishes clear rules to derive the EMCDDA framework names for cathinones. Each name is, in turn, composed by a principal name containing a parent letter, derived after the “cathinone” or the “phenone” scaffold. Additional substitutions are prepended to the principal name. The framework also provides for exceptions for several cathinones and structural analogs scheduled under UN and EU legislation.