bluuebunny/crossref_metadata_2025_split huggingface dataset:
Better service delivery, more satisfied citizens? The mediating effects of local government management capacity in South Korea
Authors: Shin Geiguen , Jhee Byong‐Kuen 
Published: February 2021

AbstractDoes decentralisation lead to higher citizens' satisfaction with the public services that local governments provide? Despite arguments that decentralisation improves public service delivery, studies have not successfully verified the effects of decentralisation on citizen evaluations of local government services. Given the importance of increased local empowerment in promoting desired public goods, we examine whether the hypothesised advantages of decentralisation on public service delivery still hold when applied to citizens' satisfaction with public services. Specifically, we explore both the direct and indirect impacts of decentralisation on citizens' satisfaction through the mediating impact of the local management capacity in Korea. Based on structural equation modelling, the results indicate that decentralisation has a direct negative impact on public service satisfaction, but its impact is not mediated by local management capacity. Due to Korean citizens' lower expectations regarding decentralisation, citizens' satisfaction is not improved even when local management capacity is increased via higher decentralisation.
Tricuspid valve vegetation debulking using the AngioVac system
Authors: Bangalore Sripal , Alviar Carlos L. , Vlahakis Susan , Keller Norma 
Published: February 2021

AbstractTricuspid valve endocarditis with recurrent septic pulmonary emboli is an indication for surgery. We present the case of a 36‐year old man with tricuspid valve endocarditis and septic pulmonary emboli with percutaneous extraction of the vegetation. We discuss the nuances of such an approach and the need for more evidence in the management of these complex patients.
Mimicking Photosystem I with a Transmembrane Light Harvester and Energy Transfer‐Induced Photoreduction in Phospholipid Bilayers
Authors: Pannwitz Andrea , Saaring Holden , Beztsinna Nataliia , Li Xinmeng , Siegler Maxime A. , Bonnet Sylvestre 
Published: February 2021

AbstractInvited for the cover of this issue are Andrea Pannwitz, Sylvestre Bonnet and co‐workers at Leiden University and Johns Hopkins University. The image depicts an observer watching over a lipid bilayer “landscape” and a sky full of luminescent giant vesicles. Read the full text of the article at 10.1002/chem.202003391.
Enantioselective recognition of tryptophan isomers with molecularly imprinted overoxidized polypyrrole/poly(p‐aminobenzene sulfonic acid) modified electrode
Authors: Gong Ling , Li Shan , Yin Zhengzhi , Li Kelin , Gu Jiawei , Wu Datong , Kong Yong 
Published: February 2021

AbstractPoly(p‐aminobenzene sulfonic acid) (pABSA) was electrodeposited onto the surface of a glassy carbon electrode (GCE), which was then used for the preconcentration of l‐tryptophan (l‐Trp) due to the electrostatic and π–π interactions between pABSA and l‐Trp. Polypyrrole (PPy) was electrodeposited onto the surface of the l‐Trp enriched pABSA, and then the l‐Trp templates were removed, resulting in molecularly imprinted PPy/pABSA. To avoid the interference from the oxidation peak of PPy on the following electrochemical chiral recognition of Trp isomers, PPy was overoxidized by cyclic voltammetry (CV). The resultant molecularly imprinted overoxidized PPy (OPPy)/pABSA modified GCE exhibits higher affinity toward l‐Trp than d‐tryptophan (d‐Trp); that is, the oxidation peak current of l‐Trp is greatly higher than that of d‐Trp at the molecularly imprinted OPPy/pABSA modified GCE.
The Ensemble Effect in Bifunctional Catalysis: Influence of Zinc as Promoter for Pd‐H‐ZSM‐5 Catalysts during the Dehydroalkylation of Toluene with Ethane
Authors: Geiß Daniel , Traa Yvonne 
Published: February 2021

AbstractThe ensemble effect, i.e., the fact that the reaction requiring the largest ensemble of surface metal atoms will be most sensitive to promoting with a second metal, has rarely been studied in bifunctional catalysis. In this contribution, it is shown that, during the dehydroalkylation of toluene with ethane on Pd‐H‐ZSM‐5 catalysts with zinc as promoter, the ensemble effect has only an influence on the side reactions on the metal such as hydrogenolysis, but not on the desired acid‐catalyzed alkylation reaction.
Introducing Selenocysteine into Recombinant Proteins in Escherichia coli
Authors: Chung Christina Z. , Miller Corwin , Söll Dieter , Krahn Natalie 
Published: February 2021

AbstractSelenoproteins contain the 21st amino acid, selenocysteine. Selenocysteine is the only amino acid that is synthesized on its cognate tRNA, and it is inserted at specific recoded UGA stop codons via a complex translation system. Although highly similar to cysteine, selenocysteine has unique properties, including a stronger nucleophilic ability and lower reduction potential. Efforts to site‐specifically incorporate selenocysteine to create recombinant selenoproteins involve a recoded UAG stop codon and expression of the necessary selenocysteine translation machinery. This article presents a protocol for expressing and purifying selenoproteins in Escherichia coli. © 2021 Wiley Periodicals LLC.This article was corrected on 19 July 2022. See the end of the full text for details.Basic Protocol: Recombinant selenoprotein production in E. coli using a rewired translation system
A secure data parallel processing based embedded system for internet of things computer vision using field programmable gate array devices
Authors: Qureshi Kashif Naseer , Qayyum Sundus , Ul Islam Muhammad Najam , Jeon Gwanggil 
Published: February 2021

SummaryTechnologies and new standards have converted the traditional networks and systems into new smart cities integrated networks. Different factors are behind to build these new networks in terms of hardware, software, standards, technologies, and infrastructure. Internet of things (IoT) is one of the popular network types based on small and portable devices. Some of the IoT applications are more critical and sensitive like smart healthcare systems wherein time data delivery is needed without any delay. Keeping in view the criticality of such applications, this study proposes a secure storage, processing and transmission (SSPT) technique. This technique is based on two modules named Advanced Encryption Standard (AES) in Electronic Code Book (ECB) mode and AES in Ciphered Message Authentication Code (CMAC) mode. In the first module, the AES is implemented in ECB mode to provide encryption to IoT computer vision data. In the second module, the AES is integrated with the CMAC algorithm to provide encryption, integrity, and authentication. The said modules are implemented in a field programmable gate array (FPGA) device which acts as a secure edge computing device. The SSPT is verified by the test vectors given by international standards such as the National Institute of Standards and Technologies (NIST) and Federal Information Processing Standards (FIPS) which are adaptable, proficient, and vigorous as compared to previous techniques.
Genetic disruption of zebrafish mab21l1 reveals a conserved role in eye development and affected pathways
Authors: Seese Sarah E. , Deml Brett , Muheisen Sanaa , Sorokina Elena , Semina Elena V. 
Published: February 2021

AbstractBackgroundThe male‐abnormal 21 like (MAB21L) genes are important in human ocular development. Homozygous loss of MAB21L1 leads to corneal dystrophy in all affected individuals along with cataracts and buphthalmos in some. The molecular function and downstream pathways of MAB21L factors are largely undefined.ResultsWe generated the first mab21l1 zebrafish mutant carrying a putative loss‐of‐function allele, c.107delA p.(Lys36Argfs*7). At the final stages of embryonic development, homozygous mab21l1c.107delA fish displayed enlarged anterior chambers and corneal thinning which progressed with age. Additional studies revealed increased cell death in the mutant corneas, transformation of the cornea into a skin‐like epithelium, and progressive lens degeneration with development of fibrous masses in the anterior chamber. RNA‐seq of wild‐type and mutant ocular transcriptomes revealed significant changes in expression of several genes, including irf1a and b, stat1, elf3, krt17, tlr9, and loxa associated with immunity and/or corneal function. Abnormal expression of lysyl oxidases have been previously linked with corneal thinning, fibrosis, and lens defects in mammals, suggesting a role for loxa misexpression in the progressive mab21l1c.107delA eye phenotype.ConclusionsZebrafish mab21l1 is essential for normal corneal development, similar to human MAB21L1. The identified molecular changes in mab21l1c.107delA mutants provide the first clues about possible affected pathways.
Ethical Inclusion of Health Care Workers in Covid‐19 Research
Authors: Lynch Holly Fernandez , Lundin Dawn , Meagher Emma A. 
Published: February 2021

ABSTRACTEmployees are often considered a vulnerable research population due to concerns about consent and confidentiality, but there is insufficient guidance regarding their ethical inclusion in research. In the context of Covid‐19, frontline health care workers comprise a particularly relevant research population in light of their risks of viral exposure and psychological strain, among other factors. They may therefore be targeted for research conducted at their place of employment and benefit from participating in such research. Beyond Covid‐19, there are other circumstances in which health care workers may be considered for inclusion in research conducted by or with the involvement of their colleagues and employers. As investigators, sponsors, institutional review boards, and others assess the ethical permissibility of these scenarios, as well as relevant protections, we recommend systematic consideration of social and scientific value, validity, fairness, risks and benefits, voluntary consent, respect, and independent review. There is often good reason to specifically target health care workers for inclusion in Covid‐19 research (beyond convenience), and they should not be excluded from research offering the prospect of direct benefit. However, additional safeguards may be necessary in employer‐based research to avoid scientific bias, promote voluntariness, and solicit stakeholder input. Research personnel should be permitted to enroll in their own Covid‐19 studies only when participation offers them the prospect of unique benefits.
Patient factors associated with titration of medical therapy in patients with heart failure with reduced ejection fraction: data from the QUALIFY international registry
Authors: Cowie Martin R. , Schöpe Jakob , Wagenpfeil Stefan , Tavazzi Luigi , Böhm Michael , Ponikowski Piotr , Anker Stefan D. , Filippatos Gerasimos S. , Komajda Michel ,   QUALIFY Investigators
Published: February 2021

AbstractAimsFailure to prescribe key medicines at evidence‐based doses is associated with increased mortality and hospitalization for patients with Heart Failure with reduced Ejection Fraction (HFrEF). We assessed titration patterns of guideline‐recommended HFrEF medicines internationally and explored associations with patient characteristics in the global, prospective, observational, longitudinal registry.Methods and resultsData were collected from September 2013 through December 2014, with 7095 patients from 36 countries [>18 years, previous HF hospitalization within 1–15 months, left ventricular ejection fraction (LVEF) ≤ 40%] enrolled, with dosage data at baseline and up to 18 months from 4368 patients. In 4368 patients (mean age 63 ± 17 years, 75% male) ≥ 100% target doses at baseline: 30.6% (ACEIs), 2.9% (ARBs), 13.9% (BBs), 53.8% (MRAs), 26.2% (ivabradine). At final follow‐up, ≥100% target doses achieved in more patients for ACEI (34.8%), BB (18.0%), and ivabradine (30.5%) but unchanged for ARBs (3.2%) and MRAs (53.7%). Adjusting for baseline dosage, uptitration during follow‐up was more likely with younger age, higher systolic blood pressure, and in absence of chronic kidney disease or diabetes for ACEIs/ARBs; younger age, higher body mass index, higher heart rate, lower LVEF, and absence of coronary artery disease for BBs. For ivabradine, uptitration was more likely with higher resting heart rate.ConclusionsThe international QUALIFY Registry suggests that few patients with HFrEF achieve target doses of disease‐modifying medication, especially older patients and those with co‐morbidity. Quality improvement initiatives are urgently required.
A data‐driven, high‐throughput methodology to determine tissue‐specific differentially methylated regions able to discriminate body fluids
Authors: Antunes Joana , Gauthier Quentin , Aguiar‐Pulido Vanessa , Duncan George , McCord Bruce 
Published: February 2021

AbstractTissue‐specific differentially methylated regions (tDMRs) are regions of the genome with methylation patterns that modulate gene expression in those tissue types. The detection of tDMRs in forensic evidence can permit the identification of body fluids at trace levels. In this report, we have performed a bioinformatic analysis of an existing array dataset to determine if new tDMRs could be identified for use in body fluid identification from forensic evidence. Once these sites were identified, primers were designed and bisulfite modification was performed. The relative methylation level for each body fluid at a given locus was then determined using qPCR with high‐resolution melt analysis (HRM). After screening 127 tDMR's in multiple body fluids, we were able to identify four new markers able to discriminate blood (2 markers), vaginal epithelia (1 marker) and buccal cells (1 marker). One marker for each target body fluid was also tested with pyrosequencing showing results consistent with those obtained by HRM. This work successfully demonstrates the ability of in silico analysis to develop a novel set of tDMRs capable of being differentiated by real time PCR/HRM. The method can rapidly determine the body fluids left at crime scenes, assisting the triers of fact in forensic casework.
One‐pot multistep electrochemical strategy for the modular synthesis of epoxides, glycols, and aldehydes from alkenes
Authors: Jud Wolfgang , Kappe C. Oliver , Cantillo David 
Published: February 2021

AbstractOxidative functionalization of alkenes is a versatile strategy for the preparation of many oxygen‐containing scaffolds, such as epoxides, diols, or carbonyl‐containing compounds. In addition to conventional chemical methods, which rely on the utilization of stoichiometric amounts of oxidizing reagents, some electrochemical procedures have been developed to achieve these transformations. Typical electrochemical procedures employ tailored and often complex redox mediators to achieve the target transformation. Herein we present a modular approach for the synthesis of epoxides, diols, and aldehydes from a single set of reaction components. With sodium bromide as an inexpensive electrocatalyst and water as the oxygen donor, the outcome of the reaction (epoxide, 1,2‐diol, or aldehyde) can be selected by simply tuning the electrolysis conditions. This convenient platform has been accomplished by developing a selective one‐pot three‐step bromide‐electrocatalyzed epoxidation/ring opening/carbon‐carbon cleavage sequence. Its modularity permits the selection of the desired product, as the sequential reaction can be ended when the target compound has been formed. The method has been applied to a diversely functionalized terminal and non‐terminal olefins.
Structural control energy of resting‐state functional brain states reveals less cost‐effective brain dynamics in psychosis vulnerability
Authors: Zöller Daniela , Sandini Corrado , Schaer Marie , Eliez Stephan , Bassett Danielle S. , Van De Ville Dimitri 
Published: February 2021

AbstractHow the brain's white‐matter anatomy constrains brain activity is an open question that might give insights into the mechanisms that underlie mental disorders such as schizophrenia. Chromosome 22q11.2 deletion syndrome (22q11DS) is a neurodevelopmental disorder with an extremely high risk for psychosis providing a test case to study developmental aspects of schizophrenia. In this study, we used principles from network control theory to probe the implications of aberrant structural connectivity for the brain's functional dynamics in 22q11DS. We retrieved brain states from resting‐state functional magnetic resonance images of 78 patients with 22q11DS and 85 healthy controls. Then, we compared them in terms of persistence control energy; that is, the control energy that would be required to persist in each of these states based on individual structural connectivity and a dynamic model. Persistence control energy was altered in a broad pattern of brain states including both energetically more demanding and less demanding brain states in 22q11DS. Further, we found a negative relationship between persistence control energy and resting‐state activation time, which suggests that the brain reduces energy by spending less time in energetically demanding brain states. In patients with 22q11DS, this behavior was less pronounced, suggesting a deficiency in the ability to reduce energy through brain activation. In summary, our results provide initial insights into the functional implications of altered structural connectivity in 22q11DS, which might improve our understanding of the mechanisms underlying the disease.
Age‐related differences in the immune response could contribute to determine the spectrum of severity of COVID‐19
Authors: Costagliola Giorgio , Spada Erika , Consolini Rita 
Published: February 2021

AbstractCoronavirus disease 2019 (COVID‐19), can present with a wide spectrum of severity. Elderly patients with cardiac, pulmonary and metabolic comorbidities are more likely to develop the severe manifestations of COVID‐19, which are observed in less than 5% of the pediatric patients. Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is able to induce an immune impairment and dysregulation, finally resulting in the massive release of inflammatory mediators, strongly contributing to the pulmonary and systemic manifestations in COVID‐19. In children, the immune dysregulation following SARS‐CoV‐2 can also be responsible of a severe disease phenotype defined as multisystem inflammatory syndrome in children. As the immune system undergoes a complex process of maturation from birth to adult age, differences in the immune and inflammatory response could have a significant impact in determining the spectrum of severity of COVID‐19. Indeed, children show a higher ability to respond to viral infections and a reduced baseline pro‐inflammatory state compared with elderly patients. Age and comorbidities contribute to disease severity through immune‐mediated mechanisms, since they are associated with a chronic increase of pro‐inflammatory mediators, and cause an enhanced susceptibility to develop an immune dysregulation following SARS‐CoV‐2 infection. Also the expression of ACE2, the receptor of SARS‐CoV‐2, varies with age, and is linked to the immune and inflammatory response through a complex, and not completely elucidated, network. This paper reviews the peculiar immunopathogenic aspects of COVID‐19, with a focus on the differences between adult and pediatric patients.
Inside Cover Image
Authors: Zhang Weifeng , Zhang Yan , Qiu Jiakang , Zhao Zihan , Liu Nan 
Published: February 2021

Topological structures on transition metal dichalcogenides (TMDs), such as wrinkles, folds, and scrolls, generated by different fabrication methods impose different effects on the physical and electronic properties of the material. Among the most significant influence of topological structures is the enhanced optoelectronic performance of TMDs, thereby expanding their existing and future applications. (DOI: 10.1002/inf2.12156)
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Challenging the electrostatic σ‐hole picture of halogen bonding using minimal models and the interacting quantum atoms approach
Authors: Jiménez‐Grávalos Fernando , Gallegos Miguel , Martín Pendás Ángel , Novikov Alexander S. 
Published: February 2021

AbstractAmong the different noncovalent interactions, halogen bonds have captured wide attention in the last years. Their stability has been rationalized in electrostatic terms by appealing to the σ‐hole concept, a charge‐depleted region that is able to interact favorably with electron rich moieties. This interpretation has been questioned, and in this work a set of anionic halogen model systems are used to shed some light on this issue. We use the interacting quantum atoms method, which provides an orbital invariant energy decomposition in which pure electrostatic terms are well isolated, and we complement our insights with the analysis of electrostatic potentials (ESPs) as well as with traditional descriptors of charge accumulation like the Laplacian of the electron density. The total electrostatic interaction between the interacting species is surprisingly destabilizing in many of the systems examined, demonstrating that although σ‐holes might be qualitatively helpful, much care has to be taken in ascribing the stability of these systems to electrostatics. It is clearly shown that electron delocalization is essential to understand the stability of the complexes. The evolution of atomic charges as the aggregates forms reveals a charge transfer picture in which the central, σ‐hole bearing halogen acts as a mere spectator. These systems may then be not far from engaging in a classical 3c‐4e interaction. Since the presence of a σ‐hole as characterized by the ESP mapped on a suitable molecular envelope isosurface does not guarantee attractive electrostatic interactions, we encourage to employ a wider perspective that takes into account the full charge distribution.
The CH···HC interaction in biphenyl is a delocalized, molecular‐wide and entirely non‐classical interaction: Results from FALDI analysis
Authors: Bates Thomas G. , de Lange Jurgens H. , Cukrowski Ignacy 
Published: February 2021

AbstractIn this study we aim to determine the origin of the electron density describing a CH···HC interaction in planar and twisted conformers of biphenyl. In order to achieve this, the fragment, atomic, localized, delocalized, intra‐ and inter‐atomic (FALDI) decomposition scheme was utilized to decompose the density in the inter‐nuclear region between theortho‐hydrogens in both conformers. Importantly, the structural integrity, hence also topological properties, were fully preserved as no 'artificial' partitioning of molecules was implemented. FALDI‐based qualitative and quantitative analysis revealed that the majority of electron density arises from two, non‐classical and non‐local effects: strong overlap oforthoCH σ‐bonds, and long‐range electron delocalization between the phenyl rings andorthocarbons and hydrogens. These effects resulted in a delocalized electron channel, that is, a density bridge or a bond path in a QTAIM terminology, linking the H‐atoms in the planar conformer. The same effects and phenomena are present in both conformers of biphenyl. We show that the CH···HC interaction is a molecular‐wide event due to large and long‐range electron delocalization, and caution against approaches that investigate CH···HC interactions without fully taking into account the remainder of the molecule.
Adsorption and reactions of C6 compounds with CC, COH, and/or CO groups on TiO2
Authors: Lin Po‐Yuan , Chien Tzu‐En , Lai Po‐Chih , Shih Ying‐Chung , Li Kun‐Lin , Chung Yu‐Yin , Liu Ying‐Xuan , Lin Jong‐Liang 
Published: February 2021

AbstractAcetone is generated upon mesityl oxide (MO) adsorption on TiO2 at 35°C. Water plays an important role in promoting MO decomposition to form acetone. It is suggested that diacetone alcohol plays a role in the transformation of MO to acetone. The thermal reaction of pinacol on TiO2 mainly produces pinacolone at a temperature higher than 100°C. However, acetone is mainly formed in the photocatalytic decomposition of pinacol on TiO2 in O2. Pinacolone is thermally transformed into 2,3‐dimethyl‐1,3‐butadiene in the absence of O2 and into pivalate in the presence of O2. Both the reactions of pinacolone occur above 200°C.