bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development and validation of LC–QTOF–MS/MS method for the identification and determination of low levels of a genotoxic impurity, 4,6‐dichloro‐5‐nitro‐2‐(propylthio)pyrimidine in ticagrelor API
Authors: Moorthy Manchuri Krishna , Ali Shaik Mahammad , Reddy Gopireddy Venkata Subba 
Published: January 2022

AbstractThe foremost objective of the present study was to develop and validate a new LC–QTOF–MS/MS method for the identification and quantitative determination of 4,6‐dichloro‐5‐nitro‐2‐(propylthio)pyrimidine (DPP) genotoxic impurity through the derivatization process in ticagrelor active pharmaceutical ingredient (API). Owing to the low response of DPP at the specification level, DPP was converted to 4,6‐dibenzylamino‐5‐nitro‐2‐(propylthio)pyrimidine (DPP derivative) by addition of benzyl amine, then analyzed using mass spectrometry with a time‐of‐flight analyzer, and good separation was accomplished under the experimental conditions described. The effective separation of DPP derivative was achieved using an Acquity UPLC BEH C18 reverse‐phase column (100 × 4.6 mm × 1.7 μm) with an isocratic program with mobile phase A as 0.1% formic acid in milli Q water and mobile phase B as acetonitrile in the ratio of 20:80 v/v. The flow rate was maintained as 0.4 ml/min, the injection volume was 2 μl, the autosampler temperature was 5°C, the column oven temperature was ambient and the run time was 6.0 min. The diluent used was 0.2% benzyl amine in water and acetonitrile in the ratio of 30:70 v/v. The retention time of the DPP derivative was 2.87 min. The limit of detection and limit of quantification were 0.03 and 0.08 ppm, respectively. The DPP derivative was linear from 1.68 to 12.78 ppm with R2 of 0.9958. Thus, the developed method is valid for the identification and quantitative determination of DPP derivative in ticagrelor API.
Clinical spectrum and management of dystonia in patients with Japanese encephalitis: A systematic review
Authors: Aryal Roshan , Shrestha Suraj , Homagain Sushan , Chhetri Sunit , Shrestha Kshitiz , Kharel Sanjeev , Karn Ragesh , Rajbhandari Reema , Gajurel Bikram Prasad , Ojha Rajeev 
Published: January 2022

AbstractBackgroundJapanese encephalitis (JE) is a potentially fatal viral infection with a wide range of manifestations and can also present with a variety of movement disorders (MD) including dystonia. Dystonic features in JE are uncommon. Here, we have tried to summarize the clinical features and management of dystonia among JE patients with a comprehensive literature search.MethodsVarious databases, including PubMed, Embase, and Google Scholar, were searched against the predefined criteria using suitable keywords combination and boolean operations. Relevant information from observational and case studies was extracted according to the author, dystonic features, radiological changes in the brain scans, treatment options, and outcome wherever provided.ResultWe identified 19 studies with a total of 1547 JE patients, the diagnosis of which was confirmed by IgM detection in serum and/or cerebrospinal fluid in the majority of the patients (88.62%). 234 (15.13%) of JE patients had dystonia with several types of focal dystonia being present in 131 (55.98%) either alone or in combination. Neuroimaging showed predominant involvement of thalami, basal ganglia, and brainstem. Oral medications including anticholinergics, GABA agonists, and benzodiazepines followed by botulinum toxin were the most common treatment modalities.ConclusionDystonia can be a disabling consequence of JE, and various available medical therapies can significantly improve the quality of life. Owing to insufficient studies on the assessment of dystonia associated with JE, longitudinal studies with a larger number of patients are warranted to further clarify the clinical course, treatment, and outcome of dystonia.
Exploring assessment practices of companies actively engaged with circular economy
Authors: Roos Lindgreen Erik , Opferkuch Katelin , Walker Anna M. , Salomone Roberta , Reyes Tatiana , Raggi Andrea , Simboli Alberto , Vermeulen Walter J. V. , Caeiro Sandra 
Published: January 2022

AbstractAn emerging research area is dedicated to developing approaches for assessing the ‘circularity’ of companies and their products, within the context of sustainability goals. However, empirical evidence on the uptake of these assessment approaches remains scarce. Using a purposive sampling, we conducted a survey receiving 155 responses and held 43 semi‐structured interviews with Dutch and Italian companies active in circular economy (CE), pursuing three research aims: to explore the use of CE and sustainability assessment approaches; to study the process of developing assessment approaches; and to uncover benefits of—and barriers to—CE assessment. While we find high variability of assessment approaches, most often, companies develop tailor‐made sustainability indicators and apply life cycle assessments to CE strategies. Importantly, assessment development for CE practices requires and facilitates collaboration with external stakeholders. Finally, we reflect on the paradox of standardisation versus tailoring of assessment approaches within the CE reality and recommend establishing company needs and capabilities before designing assessment approaches.
Integrating decision support tools into businesses for sustainable development: A paradoxical approach to address the food waste challenge
Authors: Somlai Roland 
Published: January 2022

AbstractThe food industry is increasingly using decision support tools to address the food loss and waste challenge. Extant food loss and waste tools predominantly focus on environmental metrics and do not sufficiently integrate important social and financial considerations. They have therefore been deemed to lack business readiness. This critical review aims to assess how tools can be integrated within organisations supporting the progress towards sustainability and what tensions are inherent in preventing and reducing food loss and waste (FLW). This review extends paradox theory by adding the dimensions of FLW and tools to previous research on paradoxes and sustainable development. The significance of the review is creating an opportunity for scholars and practitioners to rethink current business practices as necessary for addressing sustainability challenges. The review contributes to previous research in FLW‐reducing tools within the context of business responses to sustainability issues. The findings show the role of leadership in promoting participation and collaboration for positive environmental outcomes. These findings offer three practical recommendations for businesses: (1) simple yet comprehensive tools tailored to business needs can enhance decisions, (2) a paradoxical approach for considering food supply chain demands and (3) leaders should encourage individuals and teams to learn and collaborate for business success.
Biocatalytic Metal‐Organic Frameworks: Promising Materials for Biosensing
Authors: Huang Wei , Huang Siming , Chen Guosheng , Ouyang Gangfeng 
Published: January 2022

AbstractThe highly efficient and specific catalysis of enzymes allows them to recognize a myriad of substrates, which enables biosensing. However, the fragility of natural enzymes severely restricts their practical applications. Metal‐organic frameworks (MOFs) with porous networks and attractive functions have been intelligently employed as supports to encase enzymes and protect them against harsh environments. More importantly, customizable construction and composition affords the intrinsic enzyme‐like activity of some MOFs (known as nanozymes), which provides an alternative route for the construction of robust enzyme mimics. This review will introduce the concept of these biocatalytic MOFs, with special emphasis on how biocatalytic processes that operate in these materials can reverse the plight of native enzyme‐based biosensing. In addition, the present challenges and future outlooks in this research field are briefly discussed.
Generation and Characterization of Site‐Specifically Mono‐Ubiquitylated p53
Authors: Julier Alexandra , Radtke Vanessa , Marx Andreas , Scheffner Martin 
Published: January 2022

AbstractThe tumor suppressor p53 is regulated by various posttranslational modifications including different types of ubiquitylation, which exert distinct effects on p53. While modification by ubiquitin chains targets p53 for degradation, attachment of single ubiquitin moieties (mono‐ubiquitylation) affects the intracellular location of p53 and/or its interaction with chromatin. However, how this is achieved at the molecular level remains largely unknown. Similarly, since p53 can be ubiquitylated at different lysine residues, it remains unclear if the eventual effect depends on the position of the lysine modified. Here, we combined genetic code expansion with oxime ligation to generate p53 site‐specifically mono‐ubiquitylated at position 120. We found that mono‐ubiquitylation at this position neither interferes with p53 ubiquitylation by the E3 ligases HDM2 and E6AP in complex with the viral E6 oncoprotein nor affects p53 binding to a cognate DNA sequence. Thus, ubiquitylation per se does not affect physiologically relevant properties of p53.
A Peroxygenase‐Alcohol Dehydrogenase Cascade Reaction to Transform Ethylbenzene Derivatives into Enantioenriched Phenylethanols
Authors: Xu Xiaomin , Brasselet Hugo , Jongkind Ewald P. J. , Alcalde Miguel , Paul Caroline E. , Hollmann Frank 
Published: January 2022

AbstractIn this study, we developed a new bienzymatic reaction to produce enantioenriched phenylethanols. In a first step, the recombinant, unspecific peroxygenase from Agrocybe aegerita (rAaeUPO) was used to oxidise ethylbenzene and its derivatives to the corresponding ketones (prochiral intermediates) followed by enantioselective reduction into the desired (R)‐ or (S)‐phenylethanols using the (R)‐selective alcohol dehydrogenase (ADH) from Lactobacillus kefir (LkADH) or the (S)‐selective ADH from Rhodococcus ruber (ADH‐A). In a one‐pot two‐step cascade, 11 ethylbenzene derivatives were converted into the corresponding chiral alcohols at acceptable yields and often excellent enantioselectivity.
Closely Following Equivalent Circuit Changes during Operation of Graphene Dot Light‐Emitting Electrochemical Cells
Authors: Adsetts Jonathan Ralph , Whitworth Zackry , Chu Kenneth , Yang Liuqing , Zhang Congyang , Ding Zhifeng 
Published: January 2022

AbstractLight‐emitting electrochemical cells (LECs) have presented themselves as an alternative to light emitting diodes (LEDs) because of the simple device design which is accompanied by a lower driving power. LECs operate by rearranging ion and electron transfers that create a p‐n junction at a sufficient voltage, permitting LEC emissions. However, this rearrangement is not well understood. Therefore, the ion and electron transfer processes of the device during ion rearrangement, operation and at excessive overpotentials must be characterized for LEC devices. This paper reports on investigation of these LEC processes using electrochemical impedance spectroscopy (EIS). All processes were successfully characterized with simple equivalent circuits. To the best of our knowledge, an inductive low frequency loop was observed in an LEC for the first time. We propose that this inductivity was due to the p‐n junction resistance to low frequency potential changes. Consistent observations and inverse proportionality between overpotential and inductance provided additional evidence for our proposal. This p‐n junction at low frequency opposition combined with LEC operational stability data can provide a basis for judging the chemical resistance to deterioration and charge storage capacity of p‐n junctions in the future. Furthermore, the techniques and equivalent circuits presented here will help to identify failure mechanisms and increase LEC operational lifetimes.
Unprecedented Impact of Main Chain on Comb Polymer Electrolytes Performances
Authors: Wang Xingxing , Song Ziyu , Wu Hao , Nie Jin , Feng Wenfang , Yu Hailong , Huang Xuejie , Armand Michel , Zhou Zhibin , Zhang Heng 
Published: January 2022

AbstractComb‐like polymers are one of the most auspicious candidates for building fully amorphous and highly conductive solid polymer electrolytes (SPEs), which are essential components to develop high‐performance solid‐state rechargeable lithium metal batteries (RLMBs). Herein, two kinds of comb‐like polymers containing either polymethacrylate or polyacrylate as main chains are comparatively investigated, aiming to illustrate the role of polymer backbones on the basic properties of SPEs. The comb‐like SPEs are fully amorphous, and exhibit significantly higher ionic conductivities at room temperature over traditional poly(ethylene oxide) (PEO)‐based ones (close to 10−4 S cm−1). In particular, the polymethacrylate‐based SPEs show significantly improved interfacial stability against lithium metal electrode compared with the polyacrylate‐based ones, due to the elimination of electrochemically labile C−H moiety at the alpha position of the carbonyl group (C=O) in the polyacrylate structure. The present work provides not only a new family of SPEs consisting of lithium bis(fluorosulfonyl)imide (LiFSI) and poly(methoxy‐polyethylene glycol methacrylate) (i.e., LiFSI/P(CH3‐MPEGMA)), with high ionic conductivities at room temperature but also insights into developing lithium‐metal‐friendly SPE for safe RLMBs.
Structure‐ and Interaction‐Based Design of Anti‐SARS‐CoV‐2 Aptamers
Authors: Mironov Vladimir , Shchugoreva Irina A. , Artyushenko Polina V. , Morozov Dmitry , Borbone Nicola , Oliviero Giorgia , Zamay Tatiana N. , Moryachkov Roman V. , Kolovskaya Olga S. , Lukyanenko Kirill A. , Song Yanling , Merkuleva Iuliia A. , Zabluda Vladimir N. , Peters Georgy , Koroleva Lyudmila S. , Veprintsev Dmitry V. , Glazyrin Yury E. , Volosnikova Ekaterina A. , Belenkaya Svetlana V. , Esina Tatiana I. , Isaeva Anastasiya A. , Nesmeyanova Valentina S. , Shanshin Daniil V. , Berlina Anna N. , Komova Nadezhda S. , Svetlichnyi Valery A. , Silnikov Vladimir N. , Shcherbakov Dmitriy N. , Zamay Galina S. , Zamay Sergey S. , Smolyarova Tatyana , Tikhonova Elena P. , Chen Kelvin H.‐C. , Jeng U‐Ser , Condorelli Gerolama , de Franciscis Vittorio , Groenhof Gerrit , Yang Chaoyong , Moskovsky Alexander A. , Fedorov Dmitri G. , Tomilin Felix N. , Tan Weihong , Alexeev Yuri , Berezovski Maxim V. , Kichkailo Anna S. 
Published: January 2022

AbstractAptamer selection against novel infections is a complicated and time‐consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. This study aims to develop a reliable methodology for a rational aptamer in silico et vitro design. The new approach combines multiple steps: (1) Molecular design, based on screening in a DNA aptamer library and directed mutagenesis to fit the protein tertiary structure; (2) 3D molecular modeling of the target; (3) Molecular docking of an aptamer with the protein; (4) Molecular dynamics (MD) simulations of the complexes; (5) Quantum‐mechanical (QM) evaluation of the interactions between aptamer and target with further analysis; (6) Experimental verification at each cycle for structure and binding affinity by using small‐angle X‐ray scattering, cytometry, and fluorescence polarization. By using a new iterative design procedure, structure‐ and interaction‐based drug design (SIBDD), a highly specific aptamer to the receptor‐binding domain of the SARS‐CoV‐2 spike protein, was developed and validated. The SIBDD approach enhances speed of the high‐affinity aptamers development from scratch, using a target protein structure. The method could be used to improve existing aptamers for stronger binding. This approach brings to an advanced level the development of novel affinity probes, functional nucleic acids. It offers a blueprint for the straightforward design of targeting molecules for new pathogen agents and emerging variants.
Chromatic Fulleropyrrolidine as Long‐Lived Metal‐Free Catalyst for CO2 Photoreduction Reaction
Authors: Wang Shih‐Hao , Raja Rathinam , Hsiow Chuen‐Yo , Khurshid Farheen , Yang Hau‐Ren , Chung Po‐Wen , Lai Yu‐Ying , Jeng Ru‐Jong , Wang Leeyih 
Published: January 2022

AbstractConversion of CO2 into carbonaceous fuels with the aid of solar energy has been an important research subject for decades. Owing to their excellent electron‐accepting capacities, fullerene derivatives have been extensively used as n‐type semiconductors. This work reports that the fulleropyrrolidine functionalized with 4,7‐di(thiophen‐2‐yl)benzo[c][1,2,5]thiadiazole, abbreviated as DTBT‐C60, could efficiently catalyze the photoreduction of CO2 to CO. The novel C60‐chromophore dyad structure facilitated better usage of solar light and effective dissociation of excitons. Consequently, the DTBT‐C60 exhibited a promising CO yield of 144 μmol gcat−1 under AM1.5G solar illumination for 24 h. Moreover, the isotope experiments demonstrated that water molecules could function as an electron source to reactivate DTBT‐C60. Impressively, DTBT‐C60 exhibited an extremely durable catalytic activity for more than one week, facilitating the practical application of photochemical CO2 reaction.
Hydroxy‐Group‐Functionalized Single Crystal of Copper(II)‐Porphyrin Complex for Electroreduction CO2 to CH4
Authors: Zhang Ya , Zhou Qiang , Wang Peng , Zhao Yue , Gong Feng , Sun Wei‐Yin 
Published: January 2022

AbstractPurposefully developing crystalline materials at molecular level to improve the selectivity of electroreduction CO2 to CH4 is still rarely studied. Herein, a single crystal of copper(II) complex with hydroxy groups was designed and synthesized, namely 5,10,15,20‐tetrakis(3,4‐dihydroxyphenyl)porphyrin copper(II) (Cu‐PorOH), which could serve as a highly efficient heterogeneous electrocatalyst for electroreduction of CO2 toward CH4. In 0.5 m KHCO3, Cu‐PorOH gave a high faradaic efficiency of 51.3 % for CH4 and drove a partial current density of 23.2 mA cm−2 at −1.5 V versus the reversible hydrogen electrode in H‐cell. The high performance was greatly promoted by the hydroxy groups in Cu‐PorOH, which could not only form stable three‐dimensional frameworks through hydrogen‐bonding interactions but also stabilize the intermediate species by hydrogen bonds, as supported by density functional theory calculations. This work provides an effective avenue in exploring crystalline catalysts for CO2 reduction at molecular level.
Green Chemistry, Biocatalysis, and the Chemical Industry of the Future
Authors: Sheldon Roger A. , Brady Dean 
Published: January 2022

AbstractIn the movement to decarbonize our economy and move away from fossil fuels we will need to harness the waste products of our activities, such as waste lignocellulose, methane, and carbon dioxide. Our wastes need to be integrated into a circular economy where used products are recycled into a manufacturing carbon cycle. Key to this will be the recycling of plastics at the resin and monomer levels. Biotechnology is well suited to a future chemical industry that must adapt to widely distributed and diverse biological chemical feedstocks. Our increasing mastery of biotechnology is allowing us to develop enzymes and organisms that can synthesize a widening selection of desirable bulk chemicals, including plastics, at commercially viable productivities. Integration of bioreactors with electrochemical systems will permit new production opportunities with enhanced productivities and the advantage of using a low‐carbon electricity from renewable and sustainable sources.
Circ_0001206 regulates miR‐665/CRKL axis to alleviate hypoxia/reoxygenation‐induced cardiomyocyte injury in myocardial infarction
Authors: Wang Dongmei , Tian Limei , Wang Yan , Gao Xiaoli , Tang Hanbo , Ge Junbo 
Published: January 2022

AbstractAimsMyocardial infarction (MI) is a type of cardiovascular disease caused by myocardial necrosis. Growing evidences have suggested that circular RNAs (circRNAs) play crucial roles in cardiac hypoxia/reoxygenation (H/R)‐induced injury of MI.Methods and resultsHypoxia/reoxygenation model of H9C2 cells was established and circ_0001206 expression was detected via quantitative real‐time polymerase chain reaction. Ribonuclease R (RNase R) and Actinomycin D (Act D) assays verified the stability. Cell counting kit‐8 (CCK‐8), western blot, TUNEL, and flow cytometry assays evaluated cell viability and cell apoptosis. RNA pull‐down, RNA binding protein immunoprecipitation (RIP), and luciferase reporter assays explored the mechanisms underlying MI. All experimental data were presented with mean ± standard deviation (SD) and P < 0.05 indicated statistical significance. Circ_0001206 was low‐expressed in H9C2 cells under H/R treatment. Circ_0001206 was formed by cyclization of CRK like proto‐oncogene, adaptor protein (CRKL). Circ_0001206 overexpression promoted cell viability and inhibited cardiomyocyte apoptosis. It was confirmed that circ_0001206 regulated CRKL expression via acting as a competing endogenous RNA (ceRNA) of microRNA‐665 (miR‐665). CRKL played a protective role in MI.ConclusionsCirc_0001206 regulates miR‐665/CRKL axis to alleviate H/R‐induced cardiomyocyte injury in MI. Our findings suggest that circ_0001206 might be a potential target for MI treatment.
Electrochemistry Enabled Nickel‐Catalyzed Selective C−S Bond Coupling Reaction
Authors: Wang Yang , Zhang Feng , Wang Yi , Pan Yi 
Published: January 2022

AbstractThis work describes an electrochemical enabled nickel‐catalyzed chemoselective C−S bond coupling protocol for the production of aryl sulfides and sulfones. By simply switching the nickel catalysts and electrodes, this electrochemical C−S bond coupling has demonstrated excellent redox activity, scalability and sustainability. Furthermore, the mechanism for this electrochemical cross‐coupling reaction has been investigated.
CO2 reduction into formic acid under hydrothermal conditions: A mini review
Authors: Liu Xu , Zhong Heng , Wang Chunling , He Daoping , Jin Fangming 
Published: January 2022

AbstractConverting CO2, a major component of greenhouse gas in the atmosphere, into value‐added fine chemicals is beneficial from environmental and economic aspects. Except for various methods for CO2 reduction such as thermal catalysis, photocatalysis, electrocatalysis and biological reduction, hydrothermal reduction of CO2 to organics is becoming a novel and promising strategy. The hydrogen formed in situ from high‐temperature water could avoid the serious issues of hydrogen storage and transportation. This paper summarizes the recent advances on CO2 conversion to formic acid with metal‐ and biomass‐based compounds under hydrothermal conditions mainly focusing on the role of high‐temperature water, autocatalysis mechanism of metal reductants, and interfacial catalysis mechanism of metal/metal oxides. The effects of several experimental variables including temperature, reaction time and pH of the solution on formic acid yield are systematically illustrated as well. Finally, future efforts for fundamental researches and industrial applications of hydrothermal CO2 reduction are discussed.