bluuebunny/crossref_metadata_2025_split huggingface dataset:
Herstellung von primären und sekundären Dialkylmagnesiumverbindungen durch eine radikalische I/Mg‐Austauschreaktion mit sBu2Mg in Toluol
Authors: Sunagatullina Alisa S. , Lutter Ferdinand H. , Knochel Paul 
Published: January 2022

AbstractDie Behandlung von primären oder sekundären Alkyliodiden mit sBu2Mg in Toluol (25–40 °C, 2–4 h) lieferte Dialkylmagnesiumverbindungen, die verschiedene Reaktionen mit Aldehyden, Ketonen, Säurechloriden oder Allylbromiden eingingen. 3‐Substituierte sekundäre Cyclohexyliodide führten zu cis‐3‐Cyclohexylmagnesiumreagenzien in hochgradig stereokonvergenter Weise unter diesen Austauschbedingungen. Enantiomerenangereicherte 3‐Silyloxy‐substituierte sekundäre Alkyliodide ergaben nach einer Austauschreaktion mit sBu2Mg stereodefinierte Dialkylmagnesiumreagenzien, die nach Abfangen mit verschiedenen Elektrophilen verschiedene 1,3‐stereodefinierte Produkte einschließlich Homo‐Aldolprodukte (99 % dr und 98 % ee) lieferten. Mechanistische Untersuchungen bestätigten einen radikalischen Reaktionsweg für diese neuen Iod/Magnesium‐Austauschreaktionen.
Engineering the Local Atomic Environments of Indium Single‐Atom Catalysts for Efficient Electrochemical Production of Hydrogen Peroxide
Authors: Zhang Erhuan , Tao Lei , An Jingkun , Zhang Jiangwei , Meng Lingzhe , Zheng Xiaobo , Wang Yu , Li Nan , Du Shixuan , Zhang Jiatao , Wang Dingsheng , Li Yadong 
Published: January 2022

AbstractThe in‐depth understanding of local atomic environment–property relationships of p‐block metal single‐atom catalysts toward the 2 e− oxygen reduction reaction (ORR) has rarely been reported. Here, guided by first‐principles calculations, we develop a heteroatom‐modified In‐based metal–organic framework‐assisted approach to accurately synthesize an optimal catalyst, in which single In atoms are anchored by combined N,S‐dual first coordination and B second coordination supported by the hollow carbon rods (In SAs/NSBC). The In SAs/NSBC catalyst exhibits a high H2O2 selectivity of above 95 % in a wide range of pH. Furthermore, the In SAs/NSBC‐modified natural air diffusion electrode exhibits an unprecedented production rate of 6.49 mol peroxide gcatalyst−1 h−1 in 0.1 M KOH electrolyte and 6.71 mol peroxide gcatalyst−1 h−1 in 0.1 M PBS electrolyte. This strategy enables the design of next‐generation high‐performance single‐atom materials, and provides practical guidance for H2O2 electrosynthesis.
Effects of temperature and humidity on properties of ethylene/vinyl acetate‐modified ternary complex mortar
Authors: Shi Chen , Ma Chenyuan , Yang Ying , Zou Xiwen 
Published: January 2022

AbstractThe ternary complex system of Portland cement, aluminate cement, gypsum is suitable for the repair and strengthening of concrete structures due to its excellent characteristics, such as fast hardening, early strength, micro‐expansion, and so on. However, the application of this ternary complex was limited by the problems of low toughness and strength degradation in the late curing period. Therefore, it is meaningful to study the effects of different curing conditions on repairing materials in concrete engineering. In this paper, the actual repair environment was simulated, and the effects of different curing temperature and humidity on performances of ethylene/vinyl acetate (EVA) modified ternary complex were researched. The initial and final setting time of ternary complex increases with the increase of EVA content. And under different curing temperature and humidity, the addition of EVA improved the toughness of the ternary complex and reduced the water absorption, EVA can effectively prevent the late strength decrease of ternary complex caused by high curing temperature. Under the curing conditions of 40 and 60°C, the addition of EVA greatly improved the flexural strength and toughness of the ternary complex, low temperature environment is not suitable for EVA‐modified ternary complex.
Effect of plasma treatment parameters on the interfacial joining strength of overmolded hybrid fiber reinforced thermoplastic composites
Authors: Zhai Zhanyu , He Qingzhu , Fu Liang , Liu Ningfeng , Liu Xianhu , Jiang Bingyan , Zhou Mingyong 
Published: January 2022

AbstractIn this study, hybrid fiber reinforced thermoplastic composites (hybrid thermoplastic composites) with high interfacial joining strength were fabricated using a plasma treatment strategy and injection overmolding technique. A series of experimental investigations were carried out to ascertain the effects of various plasma treatments on the interfacial joining strength of the overmolded hybrid composites. Test results reveal that compared with the untreated continuous fiber reinforced thermoplastic (CFRT) substrates, the surface roughness of the CFRT substrates treated by plasma with air for the 10 min–160 W set‐up increases by 28.7%, the contact angle decreases by 50.5%, the silicon and fluorine are effectively removed, and the content of polar functional group increases remarkably, which bring about the increase of 24.76% of the interfacial shear strength of the overmolded hybrid composites. Further increase of plasma treatment time does not contribute to increase the interfacial shear strength of the overmolded hybrid composites. The interfacial shear strength at 60 W is 6.38% higher than that at 160 W, which is ascribed to the increase of the oxygen‐containing functional group content. Compared with the air and nitrogen plasma treatment, the interfacial shear strength of the overmolded hybrid composites after oxygen plasma treatment reaches the maximum value.
Hyper cross‐linked polymers containing amino group functionalized polyimide mixed matrix membranes for gas separation
Authors: Li Weixin , Peng Longfei , Li Yinhui , Chen Zan , Duan Cuijia , Yan Shuo , Yuan Biao 
Published: January 2022

AbstractThe design and synthesis of porous materials with novel structures and functional groups to prepare mixed matrix membranes (MMMs) is an effective way to break through trade‐off effect of membrane technology. Here, hyper cross‐linked polymers containing amino groups (HCPs‐NH2) with philic‐CO2 frame were successfully prepared for the fabrication of polyimide (PI)/HCPs‐NH2 MMMs. The separation performance of pure gas is studied in order to explore NH2 groups facilitating CO2 diffusion and transmission and enhancing CO2 permeability. Consequently, the permeability of the PI/HCPs‐NH2 MMMs toward CO2 and O2 are 77.56 Barrer and 17.91 Barrer versus pure PI film toward CO2 and O2 (62.42 Barrer and 13.85 Barrer). The selectivity for CO2/CH4 and O2/N2 pairs is 24.44 and 4.01, and the selectivity of pure PI film toward CO2/CH4 and O2/N2 pairs is 20.76 and 3.29, respectively. The permeability and selectivity of PI/HCPs‐NH2 MMMs are higher than pure PI film breaking through the trade‐off effect. Moreover, the PI/HCPs‐NH2 MMMs show better separation performance on the CO2/CH4 pair than the O2/N2 pair, indicating HCPs‐NH2 with philic‐CO2 frame plays a very important role in promoting CO2 permeability. Thus, the PI/HCPs‐NH2 MMMs have potential applications in the field of natural gas purification.
Sustainable valorization of apple waste in a biorefinery: a bibliometric analysis
Authors: de Oliveira Tatiane C. G. , Sganzerla William Gustavo , Ampese Larissa Castro , Sforça Beatriz P. , Goldbeck Rosana , Forster‐Carneiro Tânia 
Published: January 2022

AbstractThis bibliometric study explored the scientific publications of apple waste over the period from 2000 to 2020, aiming to contribute to the sustainable development of the apple industry toward waste‐biorefinery implementation, advocating a circular economy. The bibliometric study covered the publications' evolution, research areas, top‐cited papers, international collaborative networks, top countries and journals. The results demonstrate that 628 documents (604 articles and 24 reviews) studied apple waste over the last 20 years, and the number of publications exponentially increased after 2010. The most used keywords revealed that the main studied topics in the field were associated with technologies to manage apple pomace, the main solid waste generated from juice production, demonstrating a research trend toward renewable energy and bio‐based products. The bibliometric study indicated that the most productive countries are China, India and the USA. Apple waste could be an environmentally friendly feedstock for biorefinery design and implementation. The biorefinery could produce value‐added products (polyphenols, pectin, sugars and essential oils) and bioenergy (ethanol, methane, electricity and heat) in different industrial arrangements. The main technological routes described in the literature have been associated with the production of lactic acid, xylitol, ethanol, bioactive compounds, xyloglucan, films, pectin, acetic acid, acetone–butanol–ethanol, emulsifiers and inulinase enzyme. In conclusion, this review contributes to the decision‐making for the industrial implementation of a waste biorefinery, advocating circular economy transition based on the sustainable valorization of apple waste. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd
Metal complexes containing silicon‐based pincer ligands: Reactivity and application in small molecule activation
Authors: Kim Jin 
Published: January 2022

AbstractThis review highlights the chemical properties of metal complexes supported by silicon‐based tridentate ligands. Silicon donors coordinated to a metal exhibit unique characteristics such as a strong trans influence, σ‐SiH interaction, and metal–ligand cooperativity. Thus, this type of donors ensures distinct reactivity toward various substrates. In particular, the σ‐SiH interaction and mechanism of SiH bond cleavage are discussed. Several attempts to exploit silyl metal complexes for the activation of small molecules, including dinitrogen, carbon dioxide, dihydrogen, and dioxygen, have been reported. This review summarizes recently reported reactions of silyl pincer complexes with small molecules and provides new insights into the possibility of adapting silicon‐based ligands to model the chemistry of biological catalytic systems.
The effects of smartphone assistants' anthropomorphism on consumers' psychological ownership and perceived competence of smartphone assistants
Authors: Cheng Li‐Keng 
Published: January 2022

AbstractFew studies on the effects of smartphone assistants' anthropomorphism on consumer behavior have been conducted. This study explored the effects of anthropomorphism on consumers' psychological ownership of smartphone assistants and perceptions of their competence. Moreover, it investigated arousal during smartphone assistant use and examined how relationship norms governing the consumer–smartphone assistant relationship moderate the effects of anthropomorphism on psychological ownership. In study 1, which had a one‐factorial design (high vs. low anthropomorphism), a highly anthropomorphic smartphone assistant was perceived to be more competent. In study 2, which followed the same experimental procedure under a 2 × 2 full factorial design, the anthropomorphism–relationship norms interaction moderated psychological ownership. Psychological ownership fully mediated the effect of anthropomorphism on perceived competence. Study 3 employed a 2 (anthropomorphism: high vs. low) × 2 (arousal: high vs. low) × 2 (relationship norms: exchange vs. communal) full factorial design. In the high arousal condition, anthropomorphism and relationship norms exerted no significant effect on psychological ownership. A conditional indirect effect from anthropomorphism to perceived competence through psychological ownership was only significant under low arousal and adherence to communal relationship norms. In summary, the degree of anthropomorphism influenced perceived competence through psychological ownership. Therefore, companies should incorporate anthropomorphic cues into smartphone assistant design, thereby promoting their personification by consumers and benefiting perceptions of their competence.
Copper(II) Compounds of 4‐Nitrobenzohydrazide with Different Anions (ClO4−, NO3− and Br−): Synthesis, Characterization, DFT Calculations, DNA Interactions and Cytotoxic Properties
Authors: Nonkuntod Prangtip , Senawong Thanaset , Soikum Chaiyaporn , Chaveerach Prapansak , Watwiangkham Athis , Suthirakun Suwit , Chaveerach Unchulee 
Published: January 2022

AbstractCopper complexes containing 4‐nitrobenzohydrazide (4‐NH), [Cu(4‐NH)2(ClO4)2] (1), [Cu(4‐NH)2(NO3)2] (2) and [Cu(4‐NH)2Br2] (3), were synthesized and characterized by various spectroscopy. DFT calculations have revealed a distorted octahedral for 1, 2 and 3. DNA interactions of 1–3 toward calf‐thymus DNA were investigated by absorption titration, viscosity, fluorescence spectroscopy and gel electrophoresis. All complexes bind to DNA via intercalation mode. The Kb values have shown the binding ability in the order of 3>2>1. The in vitro cytotoxicity of 1–3 was tested against two human cancer cells (HeLa and MCF‐7) and normal Vero cells by MTT assay. All complexes show anticancer ability upon increasing time, but the ligand is inactive. Complex 3 with the Br− anion gives the lowest IC50 values of 19.26±2.43 μg/mL toward MCF‐7. Moreover, all complexes were not arrested at any cell cycle phases. However, the sub‐G1 populations were enhanced upon increasing the complex concentration. Therefore, they may induce apoptotic cell death for both cancer cells. The antibacterial activity of 1–3 was tested against E. coli, Salmonella and Campylobacter. Complex 3 gives the best activity toward Campylobacter (0.156×103 μg/mL).
A phototoxic drug reaction due to topical NSAIDs
Authors: Drivenes Jakob Lillemoen , Berg‐Jensen Martin , Bygum Anette 
Published: January 2022

AbstractWe present a case with a phototoxic reaction following topical use of NSAID. The phototoxic reaction was initially mistaken for cellulitis which led to treatment with dicloxacillin, which led to an exanthematous drug eruption. The patient was treated with topical clobetasol propionate and oral non‐sedating antihistamines. Follow‐up revealed post‐inflammatory hypopigmentation.
Rapid reduction of substantially increased myoglobin and creatine kinase levels using a hemoadsorption device (CytoSorb®)—A case report
Authors: Moresco Erich , Rugg Christopher , Ströhle Mathias , Thoma Matthias 
Published: January 2022

AbstractRhabdomyolysis (RM) is a potentially life‐threatening entity that can lead to acute kidney injury (AKI). Continuous renal replacement therapy (CRRT) alone is known as effective therapy, but the additional use of a hemoadsorber (like CytoSorb®) might increase its efficacy.
Unilateral congenital upper eyelid eversion in a newborn: Conservative management and outcome
Authors: Farhadi Roya , Farrokhfar Asadollah 
Published: January 2022

AbstractWe present a rare congenital condition in a Persian newborn characterized by the unilateral everted upper eyelid. This report aimed to create awareness among neonatologists and ophthalmologists who are first‐time viewers of this condition and lead them to choose the appropriate management.
Establishing the Reaction Pathways of the Catalytic Conversion of Erythrulose to Sulphides of Alpha‐Hydroxy Thioesters and Esters
Authors: Calderon‐Ardila Sergio , Matthijssen Joost , Van Huffel Bart , Péruch Olivier , Morvan Didier , Bellière‐Baca Virginie , Dusselier Michiel , Sels Bert F. 
Published: January 2022

AbstractSulphides of alpha‐hydroxy thioesters and esters (SAH(T)Es) are important fine chemicals and have great potential as platform molecules. SAH(T)Es are typically synthesized from fossil sources while little is known regarding their synthesis from carbohydrates. We report our findings about the one‐pot chemocatalytic conversion of erythrulose (ERU) to SAH(T)Es. Sn, Mo and W chlorides were the most selective catalysts towards the synthesis of S‐butyl‐4‐butylthio‐2‐hydroxybutanethioate (BBTHBT) in 1‐BuSH. The selectivity towards BBTHBT was impacted by the formation of different thioacetals (TAs). The addition of either KOH, H2O or MeOH was effective to decrease TAs formation and increase selectivity towards BBTHBT (or its ester). A kinetic profile, in situ 13C NMR measurements and experiments at different temperatures complement our studies to unravel the complicated reaction network involved in the conversion of ERU to SAH(T)Es. This insight provides a solid foundation for future improvements in the sustainable synthesis of SAH(T)Es.
Chloromethyl Glycosides as Versatile Synthons to Prepare Glycosyloxymethyl‐Prodrugs
Authors: Elferink Hidde , Titulaer Willem H. C. , Derks Maik G. N. , Veeneman Gerrit H. , Rutjes Floris P. J. T. , Boltje Thomas J. 
Published: January 2022

AbstractThis work investigates the addition of monosaccharides to marketed drugs to improve their pharmacokinetic properties for oral absorption. To this end, a set of chloromethyl glycoside synthons were developed to prepare a variety of glycosyloxymethyl‐prodrugs derived from 5‐fluorouracil, thioguanine, propofol and losartan. Drug release was studied in vitro using β‐glucosidase confirming rapid conversion of the monosaccharide prodrugs to release the parent drug, formaldehyde and the monosaccharide. To showcase this prodrug approach, a glucosyloxymethyl conjugate of the tetrazole‐containing drug losartan was used for in vivo experiments and showed complete release of the drug in a dog‐model.
Precise Synthesis of Organic Heterostructures via the Synergy Approach of Polymorphism and Cocrystal Engineering for Optical Applications
Authors: Yin Huiling , Ma Yingxin , Lin Hongtao , Chen Shuhai , Zhou Ziyan , Zhuo Shuping , Wang Xuedong 
Published: January 2022

Comprehensive SummaryOrganic heterostructures that can integrate the physiochemical properties of two or more substances have attracted widespread attention in the field of optoelectronics. However, the epitaxial growth process between different organic material molecules is unpredictable, and the precise synthesis of organic heterostructures is still particularly challenging. Herein, through the synergy approach of polymorphism and cocrystal engineering, a series of organic branched heterostructures have been successfully prepared. Interestingly, by simply adjusting the solvent ratio, different crystalline phases of perylene microplates can be epitaxially grown on the perylene‐OFN cocrystal microwires, which provides a feasible approach for the preparation of organic heterostructures. Meanwhile, these as‐prepared organic branched heterostructures can realize multi‐channel and multi‐color emission, and act as optical logic gates, which promotes the multifunctional integrated optoelectronics.
Identification of a prognostic signature in colorectal cancer using combinatorial algorithm‐driven analysis
Authors: Alnabulsi Abdo , Wang Tiehui , Pang Wei , Ionescu Marius , Craig Stephanie G , Humphries Matthew P , McCombe Kris , Salto Tellez Manuel , Alnabulsi Ayham , Murray Graeme I 
Published: January 2022

AbstractColorectal carcinoma is one of the most common types of malignancy and a leading cause of cancer‐related death. Although clinicopathological parameters provide invaluable prognostic information, the accuracy of prognosis can be improved by using molecular biomarker signatures. Using a large dataset of immunohistochemistry‐based biomarkers (n = 66), this study has developed an effective methodology for identifying optimal biomarker combinations as a prognostic tool. Biomarkers were screened and assigned to related subsets before being analysed using an iterative algorithm customised for evaluating combinatorial interactions between biomarkers based on their combined statistical power. A signature consisting of six biomarkers was identified as the best combination in terms of prognostic power. The combination of biomarkers (STAT1, UCP1, p‐cofilin, LIMK2, FOXP3, and ICOS) was significantly associated with overall survival when computed as a linear variable (χ2 = 53.183, p < 0.001) and as a cluster variable (χ2 = 67.625, p < 0.001). This signature was also significantly independent of age, extramural vascular invasion, tumour stage, and lymph node metastasis (Wald = 32.898, p < 0.001). Assessment of the results in an external cohort showed that the signature was significantly associated with prognosis (χ2 = 14.217, p = 0.007). This study developed and optimised an innovative discovery approach which could be adapted for the discovery of biomarkers and molecular interactions in a range of biological and clinical studies. Furthermore, this study identified a protein signature that can be utilised as an independent prognostic method and for potential therapeutic interventions.
Anxiety is associated with higher recurrence of atrial fibrillation after catheter ablation: A meta‐analysis
Authors: Du Hong , Yang Lei , Hu Zheng , Zhang Hui 
Published: January 2022

AbstractPrevious studies that evaluated the influence of anxiety on recurrence of atrial fibrillation (AF) after catheter ablation showed inconsistent results. We performed a meta‐analysis of cohort study to systematically evaluate the association between anxiety and AF recurrence after catheter ablation. Electronic databases of PubMed, Embase, and Web of Science were searched for relevant cohort studies from inception to January 20, 2021. We applied the random‐effect model to combine the results to incorporate the potential influence of heterogeneity among studies. Five cohort studies were eligible for the meta‐analysis, which included 549 patients with AF that received catheter ablation. No significant heterogeneity was observed among the included studies (I2 = 7%, P for Cochrane's Q test = 0.37). During a mean follow‐up of 9.7 months, 216 (39.3%) cases of recurrent AF occurred. Results of the meta‐analysis showed that anxiety was independently associated with an increased risk of AF recurrence after catheter ablation (adjusted relative risk: 2.36, 95% confidence interval: 1.71–3.26; p < .001). Subgroup analyses did not show that differences in study characteristics including study design, ethnicity of the patients, sample size, AF type, anxiety evaluation method, follow‐up duration, or adjustment of LAD may significantly affect the association between anxiety and AF recurrence (p for subgroup difference all > .10). Anxiety may be an independent risk factor for AF recurrence after catheter ablation. Whether alleviating anxiety mood could reduce the risk of AF recurrence after catheter ablation should also be investigated.
TITAN: An end‐to‐end data analysis environment for the Hyperion™ imaging system
Authors: Thirumal Sindhura , Jamzad Amoon , Cotechini Tiziana , Hindmarch Charles T. , Graham Charles H. , Siemens D. Robert , Mousavi Parvin 
Published: January 2022

AbstractImaging Mass Cytometry (IMC) is a powerful high‐throughput technique enabling resolution of up to 37 markers in a single fixed tissue section while also preserving in situ spatial relationships. Currently, IMC processing and analysis necessitates the use of multiple different software, labour‐intensive pipeline development, different operating systems and knowledge of bioinformatics, all of which are a barrier to many potential users. Here we present TITAN – an open‐source, single environment, end‐to‐end pipeline that can be utilized for image visualization, segmentation, analysis and export of IMC data. TITAN is implemented as an extension within the publicly available 3D Slicer software. We demonstrate the utility, application, reliability and comparability of TITAN using publicly available IMC data from recently‐published breast cancer and COVID‐19 lung injury studies. Compared with current IMC analysis methods, TITAN provides a user‐friendly, efficient single environment to accurately visualize, segment, and analyze IMC data for all users.