bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Combined XPS and Computational Study of the Chemical Reduction of BMP‐TFSI by Lithium**
Authors: Forster‐Tonigold K. , Buchner F. , Bansmann J. , Behm R. J. , Groß A. 
Published: September 2022

AbstractEmploying density functional theory (DFT) calculations and X‐ray photoelectron spectroscopy (XPS), we identify products of the reaction of the ionic liquid N,N‐butylmethylpyrrolidinum bis(trifluoromethylsulfonyl)imide (BMP‐TFSI) with lithium in order to model the initial chemical processes contributing to the formation of the solid electrolyte interphase in batteries. Besides lithium oxide, sulfide, carbide and fluoride, we find lithium cyanide or cyanamide as possible, thermodynamically stable product in the Li‐poor regime, whilst Li3N is the stable product in the Li‐rich regime. The thermodynamically controlled reaction products as well as larger fragments of TFSI persisting due to kinetic barriers could be identified by a comparison of experimentally and computationally determined core level binding energies.
Live‐cell imaging of genomic loci with Cas9 variants
Authors: Ye Huiying , Jiang Chao , Li Lian , Li Hui , Rong Zhili , Lin Ying 
Published: September 2022

AbstractBackgroundEndonuclease‐deactivated clustered regularly interspaced short palindromic repeats (CRISPR)‐associated nuclease (dCas9) has been repurposed for live‐cell imaging of genomic loci. Engineered or evolved dCas9 variants have been developed to increase the applicability of the CRISPR/dCas9 system. However, there have been no systematic comparisons of these dCas9 variants in terms of their performance in the visualization of genomic loci.Main Methods and Major ResultsHere we demonstrate that dSpCas9 and its variants deSpCas9(1.1), dSpCas9‐HF1, devoCas9, and dxCas9(3.7) can be used for CRISPR‐based live‐cell genomic imaging. dSpCas9 had the greatest utility, with a high labeling efficiency of repetitive sequences—including those with a low number of repeats—and good compatibility with target RNA sequences at the MUC4 locus that varied in length from 13 to 23 nucleotides. We combined CRISPR‐Tag with the dSpCas9 imaging system to observe the dynamics of the Tet promoter and found that its movement was restricted when it was active.Conclusions and ImplicationsThese novel Cas9 variants provide a new set of tools for investigating the spatiotemporal regulation of gene expression through live imaging of genomic sites.
Highly expressed carbohydrate sulfotransferase 11 correlates with unfavorable prognosis and immune evasion of hepatocellular carcinoma
Authors: Xiong Dan‐dan , Li Jian‐di , He Rong‐quan , Li Ming‐xuan , Pan Yan‐qing , He Xiao‐lian , Dang Yi‐wu , Chen Gang 
Published: September 2022

AbstractDespite great advance has been made in multi‐modality treatments for HCC patients, the effectiveness is far from satisfactory with worse survival outcome, which may be partly explainable by the anti‐tumor deficiency of the immune system. It is necessary to clarify the molecular mechanism of HCC immunodeficiency. Here, we demonstrated that carbohydrate sulfotransferase 11 (CHST11) was upregulated in HCC and related to advanced TNM stage. HCC patients with TP53 mutation showed higher CHST11 expression. Survival analysis revealed that CHST11 was an independent prognostic biomarker in HCC. Cellular functional experiments indicated that knockdown of CHST11 in HCC inhibited cell proliferation and metastasis. Gene functional enrichment analyses indicated that CHST11 modulated pathways related to tumor growth, metastasis and immune regulation. Continuative immune‐related analyses revealed that CHST11 expression facilitated Tregs infiltration in HCC and promoted the expression of checkpoints PD‐L1/PD‐1, resulting in the immunosuppression of HCC. Targeting CHST11 may inhibit Tregs infiltration and enhance the antineoplastic effect of immune checkpoint inhibitors, which provides a novel insight into the combination immunotherapy with Treg‐modulating agents and PD‐L1/PD‐1 inhibitors.
Application of fault tree analysis: Failure mode and effect analysis to evaluate critical factors influencing non‐GM segregation in the US grain and feed supply chain
Authors: Gupta Priyanka , Hurburgh Charles R. , Bowers Erin L. , Mosher Gretchen A. 
Published: September 2022

AbstractBackground and ObjectiveAdventitious presence (AP) or unintentional commingling of genetically modified (GM) grain in non‐GM grain lots is a concern for stakeholders who wish to produce non‐GM grain and grain‐based products. AP that exceeds tolerance levels results in the loss of product marketability as “non‐GM” and subsequent loss of a premium market price. The objective of this study was to evaluate the US commodity corn supply chain using Fault Tree Analysis (FTA) and Failure Mode and Effect Analysis (FMEA) to assess factors contributing to AP in supply chains that handle both GM and non‐GM products.FindingsSystematic analysis of the farm‐to‐feed supply chain identified key processes and actors involved. FTA identified 27 factors potentially contributing to AP along with their root causes. Ranking of factors using FMEA prioritized 14 factors as “critical” with a comparatively higher likelihood of occurrence and impact on AP levels.ConclusionsAP contributing factors were found across the supply chain, indicating that successful segregation relies on all supply chain participants. Identification and prioritization of critical factors make it possible to target resources to a small number of significant factors to attain low AP levels rather than distributing resources across the entire set of factors.Significance and NoveltyThis study is an initial attempt to provide insights into the assessment and management of AP in the grain and feed supply chain with a novel application of FTA and FMEA techniques.
Carbon‐Supported Au Catalyst in Acetylene Hydrochlorination: Enhancing Catalytic Performance by Complexation of Dicarbonyl Ligands
Authors: Qiao Xianliang , Liu Xinyu , Yang Yang , Mao Zhenhua , Li Tianhe , Gao Lele , Zhao Chaoyue , Guan Qingxin , Li Wei 
Published: September 2022

AbstractCarbon‐supported Au (Au/AC) has been proven to be one of the most promising catalysts in the field of acetylene hydrochlorination. However, the catalytic performance of conventional Au/AC catalyst is usually limited due to the unsatisfactory dispersion of active Au cation on the surface of the support, carbon deposition, and inevitable reduction to inactive Au nanoparticles. Herein, Au catalysts with highly dispersed Au cation were developed using the complexation of dicarbonyl ligand N‐chlorosuccinimide (NCS) and N‐methylsuccinimide (NMS). The obtained Au−NMS/AC and Au−NCS/AC catalysts with 0.1 wt.% Au loading possessed acetylene conversion of 98 % and 88 % at 180 °C and GHSV (C2H2) of 160 h−1, which were clearly better than that of pristine Au/AC. The characterization results showed that coordination between Au cation and ligands enhanced the dispersion of Au species, suppressed the reduction of Au cation, and reduced the formation of carbon deposits. Density functional theory (DFT) calculations suggest that Au−NMS/AC and Au−NCS/AC catalysts follow a HCl‐preferred concerted addition reaction mechanism with lower reaction energy barrier. This favors the high activity and nuclearity stability of the Au center. This study provides great potential for the use of dicarbonyl ligands on Au‐based catalysts in acetylene hydrochlorination.
Catalytic Dehydrogenation of Ethane over Mn Oxide Supported on Zeolite Chabazite
Authors: Pan Jian , Shi Song , Yuan Yong , Lobo Raul F. 
Published: September 2022

AbstractA new class of Mn‐containing zeolites prepared by incipient wetness impregnation (IWI) have been found to catalyze the ethane dehydrogenation reaction with high selectivity (98 %+). Preparation by IWI leads to the formation of Mn2O3 nanoparticles on the external surface of the zeolite crystals and herein is shown that the primary active sites for the reaction are located on the surface of these particles. Propane dehydrogenation is also successfully catalyzed by this catalyst. Other Mn‐zeolites (MFI and BEA) also have high reactivity and selectivity towards light alkane dehydrogenation.
Banks retail clients' profiles and the gender gap in subjective financial literacy of spouses
Authors: Broihanne Marie‐Hélène 
Published: September 2022

AbstractThis article examines the gender gap in subjective financial literacy of retail clients of a large commercial bank in Europe. Under the European regulatory context (MiFID), clients of banks and financial institutions have to complete risk‐profiling questionnaires; these data are especially useful for financial advisors. Using a database of banking records and MiFID questionnaire answers of more than 50,000 retail clients, we find that the gender gap in subjective financial literacy is significantly higher for individuals living as part of a couple. We consider 7,382 dual‐income couples with matched‐partner data and find some heterogeneity in their gender gap in subjective financial literacy. We identify the couple characteristics that explain either a classical (i.e., women exhibit a significantly lower self‐assessed financial knowledge than men) or an inverse gap and point out that subjective financial literacy of spouses is related to their financial management styles.
Harnessing Water to Enhance Quadrupolar NMR Spectroscopy and Imaging
Authors: Martinho Ricardo P. , Frydman Lucio 
Published: September 2022

Abstract17O and 14N are attractive targets for in vivo NMR spectroscopy and imaging, but low gyromagnetic ratios γ and fast spin relaxation complicate observations. This work explores indirect ways of detecting some of these sites with the help of proton‐detected double resonance techniques. As standard coherence transfer methods are of limited use for such indirect detection, alternative routes for probing the quadrupolar spectra on 1H were tested. These centered on modulating the broadening effects imparted onto protons adjacent to the low‐γ species through J couplings through either continuous wave or spin‐echo double‐resonance decoupling/recoupling sequences. As in all cases, the changes imparted by these double‐resonance strategies were small due to the fast relaxation undergone by the quadrupoles, the sensitivity of these approaches was amplified by transferring their effects onto the abundant water 1H signal. These amplifications were mediated by the spontaneous exchanges that the labile 1Hs bound to 17O or 14N undergo with the water protons. In experiments designed on the basis of double‐resonance spin echoes, these enhancements were imparted by looping the transverse encodings together with multiple longitudinal storage periods, leading to decoupling‐recoupling with exchange (D‐REX) sequences. In experiments designed on the basis of continuous on/off quadrupolar decoupling, these solvent exchanges were incorporated into chemical‐exchange saturation transfer schemes, leading to decoupling‐recoupling with saturation transfer (D‐REST) sequences. Both of these variants harnessed sizable proportions of the easily detectable water signals, in order to characterize the NMR spectra and/or to image with atomic‐site specificity the 17O and 14N species.
In‐Situ Hydrogen‐Bond Tailoring To Construct Ultrathin Bi2O2O/Bi2O2(OH)(NO3) Nanosheets: Interactive CO2RR Promotion and Bismuth‐Oxygen Moiety Preservation
Authors: Ma Jinjin , Yan Jing , Xu Junjie , Ni Jiaqi , Li Ruiling , Li Li , Lu Lilin 
Published: September 2022

AbstractBismuth–oxygen moieties are beneficial for high‐efficiency electrochemical CO2 reduction (CO2RR) to produce formate; however, preserving bismuth‐oxygen moieties while applying a cathodic potential is challenging. This work reports the preparation of ultrathin Bi2O2O/Bi2O2(OH)(NO3) nanosheets (BiON‐uts) by in‐situ tailoring of hydrogen bonds in a Bi2O2(OH)(NO3) precursor. The BiON‐uts exhibits a formate faradaic efficiency of 98 % with higher partial current density than that of most reported bismuth‐based catalysts. Mechanistic studies demonstrate that the ultrathin nanosheet morphology facilitates ion‐exchange between BiON‐uts and the electrolyte to produce Bi2O2CO3 as intermediate, and adsorption of CO2 with surface Bi2O2O. DFT calculations reveal that the rate‐limiting first electron transfer is effectively improved by the high electron affinity of Bi2O2CO3. More importantly, high‐efficiency CO2RR in turn protects the bismuth–oxygen moieties from being reduced and thus helps to maintain the excellent CO2RR activity. This work offers an interactive mechanism of CO2RR promotion and bismuth–oxygen moiety preservation, opening up new opportunities for developing high‐performance catalysts.
Nanomaterials Facilitating Conversion Efficiency Strategies for Microbial CO2 Reduction
Authors: Tian Shihao , Jiang Yu‐Jing , Cao Yue , Zhang Jian‐Rong , Zhou Yang , Wang Yuanyuan 
Published: September 2022

AbstractMicrobial electro‐ and photoelectrochemical CO2 reduction represents an opportunity to tackle the environmental demand for sustainable fuel production. Nanomaterials critically impact the electricity‐ and solar‐driven microbial CO2 reduction processes. This minireview comprehensively summarizes the recent developments in the configuration and design of nanomaterials for enhancement of the bacterial adhesion and extracellular electron transfer (EET) processes, based on the modification technologies of improving chemical stability, electrochemical conductivity, biocompatibility, and surface area. Furthermore, the investigation of incorporating non‐photosynthetic microorganisms using advanced light‐harvesting nanostructured photoelectrodes for solar‐to‐chemical conversion, as well as the current understanding of EET mechanisms occurring at photosynthetic semiconductor nanomaterials‐bacteria biohybrid interface is detailed. The crucial factors influencing the performance of microbial CO2 reduction systems and future perspectives are discussed to provide guidance for the realization of their large‐scale application.
Breaking the Glass Ceiling: Views of Women from the Second‐Wave Feminist Movement
Authors: Ng Eddy S. , McGowan Rosemary A. 
Published: September 2022

AbstractThis is a qualitative study of the career perspectives of early female leaders in Canada whose careers emerged from the second‐wave feminist movement and who ascended to executive leadership positions. Using a discourse analytic lens, we analyze their perspectives on women's limited presence in executive leadership roles. The research participants suggested that women lacked the necessary resilience or personality; women lacked requisite political skills; affirmative action policies have hindered women's career advancement; and women have been unable to put their careers over family in the way that is required for executive leadership. The views expressed by these participants are often contrarian to current thinking about gender and leadership but underline the gendered nature of persistent barriers to executive leadership past and present.
Recent Advance in Polymer Coatings Combating Bacterial Adhesion and Biofilm Formation†
Authors: Chu Xiaotang , Yang Fangping , Tang Haoyu 
Published: September 2022

Comprehensive SummaryImplantable medical device‐associated infections (DAIs) originating from bacterial adhesion and biofilm formation have threatened to the health and life of patients. Antibacterial polymer coatings with antifouling and/or bactericidal properties have showed great potentials to combat DAI issues. In this review, we report recent advances in antibacterial polymer coatings fighting bacterial adhesion and biofilm formation on implantable biomaterial surfaces. We summarize the mechanisms of bacterial adhesion and biofilm formation, which provides guidance for the design of antibacterial coatings. We describe the polymer and coating preparation methods and discuss the structure‐property relationships of antibacterial polymer coatings. Applications of these polymer coatings in medical catheters, orthopaedic implants, and other applications are elaborated. Future challenges and prospects associated with antibacterial polymer coatings for implantable medical devices are discussed.
Drug‐Drug Interactions With the Hepatitis B Virus Capsid Assembly Modulator JNJ‐56136379 (Bersacapavir)
Authors: Vandenbossche Joris , Yogaratnam Jeysen , Hillewaert Vera , Rasschaert Freya , Talloen Willem , Biewenga Jeike , Snoeys Jan , Kakuda Thomas N. , Palmer Martyn , Nangosyah Julius , Biermer Michael 
Published: September 2022

AbstractThe capsid assembly modulator JNJ‐56136379 (bersacapavir) disrupts hepatitis B virus replication. It is metabolized via cytochrome P450 (CYP) 3A, but little is known about the drug‐drug interactions of JNJ‐56136379 when combined with drugs that inhibit or are metabolized by CYP3A. In a phase 1, open‐label trial (NCT03945539), healthy adults received 1 dose of JNJ‐56136379 with and without 21 days of prior exposure to itraconazole 200 mg (CYP3A inhibitor). In a second phase 1, open‐label trial (NCT03111511), healthy women received 1 dose of drospirenone/ethinyl estradiol and midazolam before and after 15 days of JNJ‐56136379. Itraconazole increased the area under the plasma concentration–time curve (AUC) of JNJ‐56136379 by 38%. JNJ‐56136379 reduced the maximum observed concentration and AUC of midazolam (CYP3A substrate) by 42%–54%, increased AUC of ethinyl estradiol by 1.6‐fold, but had no effect on drospirenone pharmacokinetics. Overall, these results demonstrated that a strong CYP3A inhibitor (itraconazole) modestly increased JNJ‐56136379 exposure. Furthermore, JNJ‐56136379 was a weak inducer of CYP3A (midazolam) and increased ethinyl estradiol exposure; coadministration of high‐dose estrogen‐based contraceptives and JNJ‐56136379 is not recommended.
Identification of Electrochemically Adsorbed Species via Electrochemical Microcalorimetry: Sulfate Adsorption on Au(111)
Authors: Schönig Marco , Frittmann Stefan , Schuster Rolf 
Published: September 2022

AbstractThe front cover artwork is provided by Dr. Marco Schönig from Prof. Rolf Schuster's group at the Karlsruhe Institute of Technology. The image shows a gold surface under electrochemical control covered by two different, unspecified adsorbed species. In the inset, we present the result of our heat of reaction measurements, which showed that for Au(111) in sulfuric acid solutions the adsorbing anionic species is sulfate. Read the full text of the Research Article at 10.1002/cphc.202200227.
Revisiting Ligand‐to‐Ligand Charge Transfer Phosphorescence Emission from Zinc(II) Diimine Bis‐Thiolate Complexes: It is Actually Thermally Activated Delayed Fluorescence
Authors: Lüdtke Nora , Kuhnt Julia , Heil Tabea , Steffen Andreas , Marian Christel M. 
Published: September 2022

AbstractIn this work we revisit and re‐evaluate the photophysical behavior of the prototypical complex [Zn(SC6H4‐4‐R)2(phen)] as the most in‐depth studied type of Zn(II)‐based triplet state emitters. Previous reports suggest population of ligand‐to‐ligand charge transfer (LLCT) states via phenanthroline localized ππ* states, with an energy barrier between the3ππ* and the bk;1/3LLCT states requiring thermal activation. Besides very weak prompt fluorescence, the dominant radiative mechanism was attributed to phosphorescence. Our photophysical studies, including temperature‐dependent quantum yield determination and time‐resolved luminescence measurements, reveal a high radiative rate constantkr=3.5×105 s−1at room temperature and suggest thermally activated luminescence as the major emission path. High‐level DFT/MRCI calculations confirm this assignment and provide deeper insight into the excited‐state kinetics, including rate constants for the (reverse) intersystem crossing processes. Thus, our study demonstrates that further optimization of the photophysical properties of this type of Zn(II) triplet exciton emitter bears great potential for future application in devices.
Comparison of polymerization shrinkage of a new bulk‐fill flowable composite with other composites: An in vitro study
Authors: Khoramian Tusi Somayeh , Hamdollahpoor Hajar , Mohammadi Savadroodbari Maryam , Sheikh Fathollahi Mahmood 
Published: September 2022

AbstractObjectiveSince composites still face a critical problem called polymerization shrinkage and bulk‐fill composites have reported acceptable results for this issue, this study aims to assess the polymerization shrinkage of a new bulk‐fill flowable composite (G‐aenial bulk injectable [GBI]) and compare it to other bulk‐fill and conventional composites.Materials and MethodsIn this in vitro study, 25 composite discs were fabricated using three bulk‐fill and two conventional composites. They were bonded to a microscopic slide and were covered by a coverslip. This assembly was transferred to a linear variable differential transformer and composite samples were cured from underneath the slides. Dimensional changes formed in composite samples were recorded. Data were analyzed using analysis of variance followed by post hoc Tukey's and Dunnett's tests.ResultsThe groups were significantly different regarding polymerization shrinkage. G‐aenial bulk injectable and G‐aenial universal flo showed significantly higher polymerization shrinkage than other composites at 30, 60, and 1800 s after light irradiation, while X‐tra fil and Filtek Z250 showed the lowest polymerization shrinkage at the aforementioned time points.ConclusionAccording to the results, the new composite had polymerization shrinkage similar to the conventional one. Bulk‐fill composites reported similar or lower shrinkage to conventional composites.
Institutional antecedents of integrated reporting quality: The moderating role of board independence
Authors: Wong Kar Shun , Amran Azlan , Chu Ei Yet 
Published: September 2022

AbstractThis study aims to examine a set of institutional isomorphic influences toward integrated reporting quality (IRQ) and the role of board independence in moderating such influences. The results from a cross‐sectional sample of 200 international companies indicated that both coercive (regulatory quality) and normative isomorphism (press freedom, CEO with accounting qualification, Dow Jones Sustainability Index listing, and winning an IR award) exert positive effects on IRQ. Moreover, board independence moderates positively for the effects of mimetic isomorphism (environmental sensitive industry) on IRQ. This study contributes to filling the gap in the literature by offering a multi‐theory approach to analyzing the antecedent of IRQ from the lenses of both institutional and agency theory. It also offers a practical contribution for corporate IR adopters, users, and regulatory authorities to improve corporate reporting. To the best of our knowledge, this is the first study that examines the moderating role of board independence on IRQ.
Comprehensive analysis on sensor node fault management schemes in wireless sensor networks
Authors: Babu Nagarajan , Santhosh Kumar Sripathi Venkata Naga 
Published: September 2022

SummaryWireless sensor networks (WSNs) are ad hoc networks that consist of tiny sensor nodes deployed in the sensed environment to monitor the natural phenomenon and send the monitored data to the base station for further processing. Due to the unfriendly deployment of the sensor nodes and their resource‐constrained nature, the sensor nodes are subjected to frequent node failure. Detecting sensor node failures and recovering them is a major challenge in WSN. Due to the failure of the nodes in WSN, there exist various problems such as a change in the network topology, communication link failure, a disjoint partition of the network, and failure to transmit the data to the sink. Various authors have proposed various techniques to detect and recover from node failure in the WSN. In this paper, a comprehensive analysis of the various node failure and node recovery techniques has been carried out to highlight the advantages and limitations along with the open research challenges for addressing the failure of the nodes in an effective manner.