bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multidentate Chelation Enables High‐Efficiency Mn2+ Storage in Polyimide Covalent Organic Framework for Aqueous All Mn‐Ion Battery
Authors: Cai Lejuan , Lu Lisha , Lan Yingying , Zhang Youming , Wang Jianlin , Lin Zijia , Li Renjie , Zhang Fan , Yu Jie , Lu Wengang , Bai Xuedong , Wang Wenlong 
Published: August 2023

AbstractAqueous divalent manganese ions (Mn2+) have recently emerged as a promising candidate for the development of multivalent ion rechargeable batteries. Here, a multidentate chelation strategy is demonstrated for high‐efficiency Mn2+ storage in a polyimide covalent organic framework (PI‐COF) anode based on the understanding of Mn2+ coordination chemistry. In contrast to other multivalent cations, Mn2+ can bond with two adjacent enolized carbonyl groups and the triazine ring to form a novel multidentate chelation configuration in charged PI‐COF lattice. As such, a large Mn2+ storage capacity of 120 mAh g−1 at 0.2 A g−1 along with great cycling stability can be achieved in PI‐COF. Ex situ characterization and first‐principles calculations further identify the occurrence of polydentate Mn2+ coordination and its critical role in stabilizing the enolized PI‐COF intermediates. Notably, an all Mn‐ion prototype cell assembly is demonstrated by coupling a PI‐COF/Mn2+ anode with a high‐voltage cathode based on MnO2/Mn2+ conversion reaction. The well‐designed cell exhibits a stable discharge plateau of 1.28 V and an impressive capacity of 115 mAh g−1 at the current density of 0.2 A g−1. This work highlights the utility of coordination chemistry for achieving highly efficient energy storage by optimizing the matching between energy‐carrying ions and organic host materials.
A High‐Capacity Gradient Zn Powder Anode for Flexible Zn‐Ion Batteries
Authors: Zhao Xin , Gao Yong , Cao Qinghe , Bu Fan , Pu Jie , Wang Yuxuan , Guan Cao 
Published: August 2023

AbstractZn powder‐based anodes are promising for flexible Zn‐ion batteries with large‐scale production, but the drawbacks such as dendrite growth and side reactions strictly hinder their wide application. Herein, a free‐standing Zn powder‐based anode with gradient particle size and porosity is facilely constructed for flexible Zn‐ion batteries. The gradient design not only optimizes the electric field distribution and the Zn‐ion flux but also induces ideal bottom‐up deposition and top‐down stripping behaviors of Zn, thus suppressing dendrite growth. As a result, the flexible gradient Zn powder anode can be stably cycled for 1250 h at 1 mA cm−2/1 mAh cm−2, and even at high current/capacity of 5 mA cm−2/5 mAh cm−2, it still achieves a long lifespan of 130 h, which outperforms its non‐gradient counterparts and most previous results from Zn powder‐based anodes. The gradient strategy is expected to inspire the extensive utilization of Zn powder‐based anodes for flexible energy storage devices.
Rational Design of Benzo‐Crown Ether Electrolyte Additives for High‐Performance Li‐O2 Batteries
Authors: Zhang Qi , Li Yuke , Poh Eng Tuan , Xing Zhenxiang , Zhang Mingsheng , Wang Meng , Sun Zejun , Pan Jisheng , Vummaleti Sai Vikrama Chaitanya , Zhang Jia , Chen Wei 
Published: August 2023

AbstractDespite theoretical predictions of exceptional gravimetric energy densities in Li‐O2 batteries (LOBs), the current research forefront faces challenges, including high charge overpotential, cathode clogging, parasitic reactions, and Li anode corrosion. Herein, benzo‐crown ethers (BCEs) with varying cavity sizes are used as electrolyte additives to exploit their strong binding toward Li+ and promote the solution growth of Li2O2 with reduced particle size. Notably, the cell with benzo‐18‐crown‐6 ether (B18C6) enables the largest discharge capacity of 14948 mAh g−1. Upon charging, these additives accelerate Li2O2 oxidation through the strong binding with Li+ and the extended electrolyte/Li2O2 interface, resulting in improved reversibility, reduced charge overpotential, and prolonged cycle life. Besides, these additives also stabilize the Li anode by regulating Li+ migration and electron exchange, reducing dendritic growth and anode corrosion. This work presents insights into the rational design of BCEs as additives for high‐performance LOBs.
Effects of racism and discrimination on mental health among young people in Victoria, Australia, during COVID‐19 lockdown
Authors: Doery Kate , Guo Shuaijun , Jones Roxanne , O'Connor Meredith , Olsson Craig A. , Harriott Linette , Guerra Carmel , Priest Naomi 
Published: August 2023

AbstractRacism and discrimination are fundamental determinants of health inequities, with young people particularly vulnerable. Since the onset of the global COVID‐19 pandemic in 2020, reports of racism and discrimination rose sharply. This study examined direct discrimination, vicarious racial discrimination, heightened vigilance, worries about experiencing racial discrimination, COVID‐19‐related stressors and their associations with young people's mental health during COVID‐19 lockdown in 2020. A community‐based, cross‐sectional online survey collected data from 363 young people aged 16–24 years living in Victoria, Australia, of whom 45.3% self‐identified as being from a multicultural background and 3.7% as Aboriginal and/or Torres Strait Islander. 73.7% reported direct discrimination, 88.9% reported vicarious racial discrimination, 84.3% reported heightened vigilance, and 62.8% reported worries about experiencing racial discrimination. Half (51.3%) of the participants experienced one or two COVID‐19‐related stressors. 53.1% of participants reported moderate‐to‐high levels of distress or negative mood state. Experiences of direct discrimination, vicarious racial discrimination, heightened vigilance, worries about experiencing racial discrimination and multiple COVID‐19‐related stressors (3+) were associated with negative mood state, after adjusting for ethnicity, age, gender and socioeconomic position. Addressing racism and discrimination is critical to addressing health inequities for young people.
Plethysmograph training: A refinement for collection of respiration data in mice
Authors: Sørli Jorid B. , Hougaard Karin S. , Hadrup Niels 
Published: August 2023

AbstractInhaled chemicals can harm the airways. Different effects can result in distinct changes in respiratory patterns; the type of change indicates where and how the respiratory system is affected. Furthermore, changes in respiratory patterns may be detected at much lower substance concentrations than those that cause more serious effects, such as histopathological changes. Changes in respiratory patterns can be studied experimentally by monitoring the breathing of mice placed in plethysmographs and exposing head‐out to the test substance. The method is well established; however, it is not known if training mice in being restrained in the plethysmograph could increase the quality of data collection. Here we report the results of training mice to be restrained in plethysmographs for 5 consecutive days, with respect to body weight, respiratory parameters, and time spent in the plethysmograph, before they are removed because of unstable breathing patterns. The mice tolerated the procedure better (measured by time in the plethysmograph) on the second day of training than the first day. Training did not change the breathing parameters between days. Breathing parameters stabilized within 5 min after the mice were placed in the plethysmographs on all days. There was an average of 3% weight loss between the first and last days of the training, indicating that the training procedure placed some strain on the animals. Training reduces the number of mice attempting to escape from the plethysmograph.
Copper(I)‐Catalyzed Asymmetric Hydrophosphination of 3,3‐Disubstituted Cyclopropenes
Authors: Zhang Shuai , Jiang Nan , Xiao Jun‐Zhao , Lin Guo‐Qiang , Yin Liang 
Published: August 2023

AbstractHerein, a copper(I)‐catalyzed asymmetric hydrophosphination of 3,3‐disubstituted cyclopropenes is reported. It provides a series of phosphine derivatives in high to excellent diastereo‐ and enantioselectivities. The methodology enjoys broad substrate scope on both 3,3‐disubstituted cyclopropenes and diarylphosphines. The high stereoselectivity is attributed to both the high stability of the Cu(I)‐(R,R)‐QUINOXP* complex in the presence of stoichiometric HPPh2 and the produced phosphines, and the high‐performance asymmetric induction of the Cu(I)‐(R,R)‐QUINOXP* complex. Finally, the method is used for the synthesis of new chiral phosphine‐olefin compounds built on a cyclopropane skeleton, one of which serves as a wonderful ligand in Rh‐catalyzed asymmetric conjugate addition of phenylboronic acid to various α,β‐unsaturated compounds.
Die Strukturaufklärung des ersten sex‐induzierenden Pheromons einer Kieselalge
Authors: A. Klapper Franziska , Kiel Christine , Bellstedt Peter , Vyverman Wim , Pohnert Georg 
Published: August 2023

AbstractKieselalgen sind weit verbreitete einzellige Mikroalgen, die für ≈20 % der globalen photosynthetischen CO2 Fixierung verantwortlich sind. Unser Wissen über die fundamentalen Aspekte ihrer Biologie, zu denen auch die sexuelle Fortpflanzung gehört, ist jedoch begrenzt. Für eine erfolgreiche Paarung der Einzeller ist die chemische, Pheromonvermittelte Kommunikation von höchster Wichtigkeit. Mit Hilfe von Pheromonen kann die sexuelle Aktivität synchronisiert und der Prozess der Partnerfindung mediiert werden. In der Diatomee Seminavis robusta wurde bereits der Lockstoff, der die Suchbewegung zum Partner vermittelt, identifiziert. Die Strukturen weiterer Metaboliten, welche die Zellen sexuell synchronisieren blieben allerdings unbekannt. Diese sex‐induzierenden Pheromone (SIP) lösen eine Zellzyklusarretierung aus und induzieren zusätzlich die Freisetzung des richtungsweisenden Lockstoffs. Im Folgenden beschreiben wir die anspruchsvolle Strukturaufklärung eines SIPs von S. robusta. Dafür wurde ein potentieller aktiver Metabolit in einer Metabolomstudie identifiziert und durch Isotopenmarkierungsexperimente, NMR, Elektrospray MSn Analysen und chemische Umsetzungen aufgeklärt. Die Verwendung der Massenspektrometrie im negativen Ionenmodus war von essentieller Bedeutung bei der Entschlüsselung des zyklischen Heptapeptids, welches Hydroxyprolin‐ und ein neuartiges β‐sulfatiertes Aspartat enthält. Das SIP ist bereits in femtomolaren Konzentrationen wirksam.
Electrochemical Nanoreactor Provides a Comprehensive View of Isocitrate Dehydrogenase Cancer‐drug Kinetics
Authors: Herold Ryan A. , Schofield Christopher J. , Armstrong Fraser A. 
Published: August 2023

AbstractThe ability to control enzyme cascades entrapped in a nanoporous electrode material (the “Electrochemical Leaf”, e‐Leaf) has been exploited to gain detailed kinetic insight into the mechanism of an anti‐cancer drug. Ivosidenib, used to treat acute myeloid leukemia, acts on a common cancer‐linked variant of isocitrate dehydrogenase 1 (IDH1 R132H) inhibiting its “gain‐of‐function” activity—the undesired reduction of 2‐oxoglutarate (2OG) to the oncometabolite 2‐hydroxyglutarate (2HG). The e‐Leaf quantifies the kinetics of IDH1 R132H inhibition across a wide and continuous range of conditions, efficiently revealing factors underlying the inhibitor residence time. Selective inhibition of IDH1 R132H by Ivosidenib and another inhibitor, Novartis 224, is readily resolved as a two‐stage process whereby initial rapid non‐inhibitory binding is followed by a slower step to give the inhibitory complex. These kinetic features are likely present in other allosteric inhibitors of IDH1/2. Such details, essential for understanding inhibition mechanisms, are not readily resolved in conventional steady‐state kinetics or by techniques that rely only on measuring binding. Extending the new method and analytical framework presented here to other enzyme systems will be straightforward and should rapidly reveal insight that is difficult or often impossible to obtain using other methods.
Central composite design‐based response surface methodology for optimization of tetrodotoxin extraction from the horseshoe crab Carcinoscorpius rotundicauda
Authors: Tran Dang Thuan , Dinh Cuc T. , Dang Mai T. , Do Cam Van T. , Le Ho Khanh Hy , Le Truong Giang , Dao Viet Ha 
Published: August 2023

AbstractTetrodotoxin analogues (TTXs) used in research and development were originated from biological sources for the last decades. Among TTXs‐bearing aquatic animals, horseshoe crab Carcinoscorpius rotundicauda from Vietnam's Coast was reported to contain a high level of TTXs, indicating a promising source for extraction and purification of TTXs. In this work, horseshoe crab C. rotundicauda collected from Can Gio Coast, Vietnam was used for TTX extraction using homogenization‐assisted method with acetic acid solvent. The extraction process was analysed and optimized by single‐factor investigation and response surface methodology (RSM). Single‐factor investigation pointed out that the optimal conditions for TTX recovery yield from C. rotundicauda's soft tissues were homogenization time of 20 min, acetic acid concentration of 1.0%, solvent/matrix ratio of 4 mL/g, extraction temperature of 70°C, extraction time of 30 min and number of extraction of two times. The most significant factors including acetic acid concentration, solvent/matrix ratio and extraction temperature were utilized for constructing the RSM model to predict TTX recovery yield. The maximal TTX recovery yield predicted from RSM model was 97.3% under solvent/matrix ratio of 4 mL/g, extraction temperature of 70°C and acetic acid concentration of 1% (v/v). The RSM model displayed a high stability and precision for prediction of TTX recovery yield from experiments of 1–10 kg C. rotundicauda's soft tissues/batch extractions producing low errors (−1.95% to 1.85%). TTXs in C. rotundicauda's soft tissues were elucidated by HPLC‐MS/MS, revealing the presence of three analogues TTX, 4epi‐TTX and Anh‐TTX with their contents of 43.02, 22.54 and 45.07 μg/g, respectively.
Antibacterial and mildew‐proof aramid fiber III: The chlorination mechanism through experimental and computational investigation
Authors: Wang Ziang , Zhou Bo , Fan Wuhou , Jiang Yuanzhang , Tan Lin 
Published: August 2023

AbstractHeterocyclic aramid fiber (Aramid III) is an important member of the aromatic polyamide family, featured as high strength, modulus, and thermal stability. However, the erosion by microorganisms severely jeopardizes these intrinsic properties. In this study, antibacterial and mildew‐proof Aramid III was facilely prepared via chlorination, which exhibited excellent bactericidal ability (100% bactericidal rate at 104 CFU/mL) against various microorganisms while experiencing only a slight decrease (less than 1%) in mechanical and thermal properties. Furthermore, Density Functional theory (DFT) calculations of the chlorination process and NMR spectra of the model molecule BPB revealed that the preferential chlorination sites were the NH bonds on the benzimidazole ring rather than those on amide group, and a cation reaction mechanism was initially proposed based on the differences in activation energy for various reaction pathways. The antibacterial and mildew‐proof functionalization in the present study may effectively prolong the service time of Aramid III, and the revealed chlorination mechanism may provide a reference for other halamine polymers.
Nanocomposite proton conducting membranes based on sulfonated polystyrene/imidazole‐2‐acetic acid blend for direct methanol fuel cell application
Authors: Arab Kosar , Tohidian Mahdi , Shamsabadi Amirsaeed 
Published: August 2023

AbstractNanocomposite polyelectrolyte membranes based on sulfonated polystyrene (SPS) /imidazole‐2‐acetic acid (Im) blend (SPSIm), incorporated with halloysite nanotubes (HNTs) were studied for direct methanol fuel cell (DMFC) applications. Firstly, PS was sulfonated at various degrees of sulfonation (DS), and the optimum DS was selected based on hydrolytic stability. Then, SPS was blended with Im as new proton conducting sites. In addition to increasing proton conductivity, methanol permeability decreased due to the attractive interaction between Im and SO3H groups in SPS. In the next step, to introduce tortuous diffusion pathways and hence decrease the methanol crossover, halloysite nanotubes were incorporated into the SPSIm matrix. The results show that the methanol permeability of the membrane incorporated with 1 wt% HNT (SPSIm/HNT) was around 0.527 × 10−7 cm2 s−1, which showed a significant decrease compared to SPS, causing an improvement in the membrane selectivity parameter in comparison to pristine SPS membrane. Furthermore, the thermal properties, ion exchange capacity (IEC), water uptake behavior, and performance of the membranes were evaluated. Based on the results, owing to the reduced methanol permeability, acceptable power density, ease of preparation, as well as low cost, SPSIm/HNT could be considered for DMFC applications.
Development of poly(ℇ‐caprolactone)‐based composite packaging films incorporated nanofillers for enhanced strawberry quality
Authors: Eskitoros‐Togay Ş. Melda , Bulbul Y. Emre , Çanga Oymak Nurcihan , Dilsiz Nursel 
Published: August 2023

AbstractThe aim of the present study was to develop a packaging material for strawberry fruit by incorporating nanofiller such as graphene oxide (GO), graphene oxide modified with silane coupling agent (fGO), and titanium dioxide (TiO2) into a polycaprolactone (PCL) matrix using the solution casting method. In the first stage, graphene oxide was synthesized from graphite by the modified Hummers' method. Subsequently, the synthesized GO was modified with the silane coupling agent. PCL film, PCL/GO, PCL/fGO, PCL/GO/TiO2, and PCL/fGO/TiO2 nanocomposite films were eventually developed. The prepared films were characterized by structural, chemical, and thermal analysis by AFM, FTIR, XRD, DSC, TGA, water contact angle analysis and food packaging test. Structural and chemical analyses revealed that the synthesis and modification processes of GO were successfully achieved. The roughness values of the PCL/fGO and PCL/fGO/TiO2 films were found as 34.1 ± 1.2 nm and 43.3 ± 2.7 nm, respectively, which displayed a relatively smooth surface morphology compared to other films. The contact angle value for the PCL/fGO and PCL/fGO/TiO2 films sightly increased from 79.83° to 80.34°, respectively, with the addition of TiO2 to the matrix. The addition of GO into the polymer matrix increased the water absorption value of the PCL film to the maximum value of 19.64%; however, the addition of TiO2 nanoparticles decreased the water absorption value of the films by 14.62%. The results of the packaging test of strawberry fruit for 21 days demonstrated that the PCL/fGO/TiO2 nanocomposite film had the potential to be used as a food packaging film due to its ability to protect the freshness of strawberries.
Mainstream and special schools’ use of well‐being programmes: A regional survey
Authors: Nisar Atiyya , Hastings Richard P. , Watkins Richard C. , Williams Sharon 
Published: August 2023

AbstractThe incorporation of mental well‐being provision into school curricula is increasingly the focus of government policy in the UK and internationally. However, it is not clear what well‐being programmes schools provide to pupils, and how these programmes are delivered. The current study was an online survey to assess the use of whole‐school well‐being programmes in primary schools in North Wales. Normalisation Process Theory was utilised as a framework to assess normalisation of the well‐being programmes. One‐hundred and fifty‐one schools in North Wales responded to the survey. The mean number of whole‐school well‐being programmes utilised by schools was 4.59, and nine of the 10 most frequently used programmes had little or no associated evidence base. The well‐being programmes were generally perceived as normalised (i.e. everyday practice) by respondents. Implications for future practice are discussed, including the need to support schools to identify and implement evidence‐based mental well‐being provision.
Dapagliflozin improves diabetic cognitive impairment via indirectly modulating the mitochondria homeostasis of hippocampus in diabetic mice
Authors: Gui Zichen , Wang Jiawen , Zhang Yue , Wan Binbin , Ke Zhiqiang , Ren Zhanhong , Yang Xiaosong , Lei Min , Guo Xiying , Liu Xiufen , Ouyang Changhan , Wu Ninghua , Chen Qingjie 
Published: August 2023

AbstractCognitive impairment is increasingly recognized as an important comorbidity of diabetes progression; however, the underlying molecular mechanism is unclear. Dapagliflozin, an inhibitor of sodium‐glucose co‐transporter 2 (SGLT2), has shown promising effects against diabetes in rodent experiments and human clinical assays. This study aimed to determine the underlying mechanism and examine the effect of dapagliflozin on diabetic cognitive impairment. To create an in vivo model of diabetic cognitive impairment, streptozotocin (STZ)‐induced diabetic mice were used. Dapagliflozin was administered to mice for 8 weeks. The context fear condition and Morris water maze test was used to evaluate mice's behavioral change. Western blotting was used to evaluate protein expression. Hematoxylin and eosin (HE) and Nissl staining were applied to monitor morphological and structural changes. Congo red staining was performed to identify the formation of senile plaques. Mitochondria morphology was examined using a transmission electron microscope, and blood flow in the mouse cerebral cortex was measured using a laser Doppler imaging assay. Comparison to the diabetes mellitus (DM) group, the dapagliflozin group had lower glucose levels. Behavioral studies have shown that dapagliflozin can restore memory deficits in diabetic mice. The murky cell membrane edges and Nissl bodies more difficult to identify in the DM group were revealed by HE and Nissl staining, which were both improved by dapagliflozin treatment. Dapagliflozin inhibited the progression of Aβ generation and the reduced cerebral blood flow in the DM group was rescued. After dapagliflozin treatment, damaged mitochondria and lack of SGLT2 in the hippocampus and cortex of diabetic mice were repaired. Diabetes‐induced cognitive dysfunction was attenuated by dapagliflozin and the effect was indirect rather than direct.
Performance of cross‐linked enzyme crystals of engineered halohydrin dehalogenase HheG in different chemical reactor systems
Authors: Staar Marcel , Schallmey Anett 
Published: August 2023

AbstractHalohydrin dehalogenase HheG is an industrially interesting biocatalyst for the preparation of different β‐substituted alcohols starting from bulky internal epoxides. We previously demonstrated that the immobilization of different HheG variants in the form of cross‐linked enzyme crystals (CLECs) yielded stable and reusable enzyme immobilizes with increased resistance regarding temperature, pH, and the presence of organic solvents. Now, to further establish their preparative applicability, HheG D114C CLECs cross‐linked with bis‐maleimidoethane have been successfully produced on a larger scale using a stirred crystallization approach, and their application in different chemical reactor types (stirred tank reactor, fluidized bed reactor, and packed bed reactor) was systematically studied and compared for the ring opening of cyclohexene oxide with azide. This revealed the highest obtained space‐time yield of 23.9 kgproduct gCLEC−1 h−1 Lreactor volume−1 along with the highest achieved product enantiomeric excess [64%] for application in a packed‐bed reactor. Additionally, lyophilization of those CLECs yielded a storage‐stable HheG preparation that still retained 67% of initial activity (after lyophilization) after 6 months of storage at room temperature.