bluuebunny/crossref_metadata_2025 huggingface dataset:
2‐(2‐Hydroxyphenyl)‐5‐aminothiazoles: Synthesis and Properties Involving Dual Emissions
Authors: Murai Toshiaki , Yoshihara Mari , Yamaguchi Kirara , Minoura Mao
Published: April 2019

2‐(2‐Hydroxyphenyl)‐5‐aminothiazoles were prepared by two different methods to elucidate their photophysical properties. The first synthetic method involved the addition of thioamide dianions derived from secondary thioamides and nBuLi to thioforamides. Alternatively, Pd‐catalyzed sequential addition of aromatic groups and diarylamines to commercially available thiazoles led to the precursors of the desired thiazoles. The molecular structures of the resulting thiazoles were determined by X‐ray analyses. The thiazoles showed dual‐emission in cyclohexane and in the solid state.
In Vitro Selection of Circular DNA Aptamers for Biosensing Applications
Authors: Liu Meng , Yin Qingxin , Chang Yangyang , Zhang Qiang , Brennan John D. , Li Yingfu
Published: April 2019

We report on the first effort to select DNA aptamers from a circular DNA library, which resulted in the discovery of two high‐affinity circular DNA aptamers that recognize the glutamate dehydrogenase (GDH) from Clostridium difficile, an established antigen for diagnosing Clostridium difficile infection (CDI). One aptamer binds effectively in both the circular and linear forms, the other is functional only in the circular configuration. Interestingly, these two aptamers recognize different epitopes on GDH, demonstrating the advantage of selecting aptamers from circular DNA libraries. A sensitive diagnostic test was developed to take advantage of the high stability of circular DNA aptamers in biological samples and their compatibility with rolling circle amplification. This test is capable of identifying patients with active CDI using stool samples. This work represents a significant step forward towards demonstrating the practical utility of DNA aptamers in clinical diagnosis.
Functionality‐Independent DNA Encoding of Complex Natural Products
Authors: Ma Peixiang , Xu Hongtao , Li Jie , Lu Fengping , Ma Fei , Wang Shuyue , Xiong Huan , Wang Wei , Buratto Damiano , Zonta Francesco , Wang Nan , Liu Kaiwen , Hua Tian , Liu Zhi‐Jie , Yang Guang , Lerner Richard A.
Published: April 2019

DNA encoded chemical libraries (DELs) link the powers of genetics and chemical synthesis via combinatorial optimization. Through combinatorial chemistry, DELs can grow to the unprecedented size of billions to trillions. To take full advantage of the DEL approach, linking the power of genetics directly to chemical structures would offer even greater diversity in a finite chemical world. Natural products have evolved an incredible structural diversity along with their biological evolution. Herein, we used traditional Chinese medicines (TCMs) as examples in a late‐stage modification toolbox approach to annotate these complex organic compounds with amplifiable DNA barcodes, which could be easily incorporated into a DEL. The method of end‐products labeling also generates a cluster of isomers with a single DNA tag at different sites. These isomers provide an additional spatial diversity for multiple accessible pockets of targeted proteins. Notably, a novel PARP1 inhibitor from TCM has been identified from the natural products enriched DEL (nDEL).
Von Peptiden lernen: eine Strategie für das Design funktionaler Präzisionspolymer‐Sequenzen
Authors: Maron Eva , Swisher Jordan H. , Haven Joris J. , Meyer Tara Y. , Junkers Tanja , Börner Hans G.
Published: April 2019

Der Zugang zu Sequenzen für funktionale Präzisionspolymere kann aufgrund der Reihenfolge von Seitengruppenfunktionen eines bekannten Peptids ermöglicht werden. Die direkte Übersetzung einer Peptidsequenz, die zuvor als Solubilisator für den Photosensibilisator meta‐Tetra(hydroxyphenyl)chlorin selektiert wurde, in zwei verschiedene Präzisionspolymere wird gezeigt. Die resultierenden peptidmimetischen Formulierungsadditive auf Basis monodisperser Oligo(N‐substituierter‐acrylamide) und Oligo(2‐substituierter‐α‐hydroxycarbonsäuren) weisen scharf definierte Sequenz‐Eigenschafts‐Beziehungen auf und übertreffen in einigen Fällen die Wirkstoffkapazität und Freisetzungskinetiken des peptidischen Vorbilds, wobei Solubilisatoren mit bis zu 40 % höherer Beladbarkeit und 27‐fach schnellerer Freisetzung erreicht werden.
Nanopore Sequencing Accurately Identifies the Mutagenic DNA Lesion O6‐Carboxymethyl Guanine and Reveals Its Behavior in Replication
Authors: Wang Yu , Patil Kiran M. , Yan Shuanghong , Zhang Panke , Guo Weiming , Wang Yuqin , Chen Hong‐Yuan , Gillingham Dennis , Huang Shuo
Published: April 2019

O6‐carboxymethylguanine (O6‐CMG) is a highly mutagenic alkylation product of DNA, triggering transition mutations relevant to gastrointestinal cancer. However, precise localization of a single O6‐CMG with conventional sequencing platforms is challenging. Here nanopore sequencing (NPS), which directly senses single DNA bases according to their physiochemical properties, was employed to detect O6‐CMG. A unique O6‐CMG signal was observed during NPS and a single‐event call accuracy of >95 % was achieved. Moreover, O6‐CMG was found to be a replication obstacle for Phi29 DNA polymerase (Phi29 DNAP), suggesting this lesion could cause DNA sequencing biases in next generation sequencing (NGS) approaches.
Probing the Formation of a Seleninic Acid in Living Cells by the Fluorescence Switching of a Glutathione Peroxidase Mimetic
Authors: Ungati Harinarayana , Govindaraj Vijayakumar , Narayanan Megha , Mugesh Govindasamy
Published: April 2019

Glutathione peroxidase (GPx) is a selenoenzyme that protects cells against oxidative damage. Although the formation of a seleninic acid (‐SeO2H) by this enzyme during oxidative stress has been proposed, a selenic acid has not been identified in cells. Herein, we report that the formation of a seleninic acid can be monitored in living cells by using a redox‐active ebselen analogue with a naphthalimide fluorophore. The probe reacts with H2O2 to generate the highly fluorescent seleninic acid. The electron withdrawing nature of the ‐SeO2H moiety and strong Se⋅⋅⋅O interactions, which prevent the photoinduced electron transfer, are responsible for the fluorescence.
Essential and Ubiquitous: The Emergence of Lanthanide Metallobiochemistry
Authors: Daumann Lena J.
Published: April 2019

Lanthanide biochemistry—A surprise around every corner: lanthanides as biologically essential metals. This statement was until recently, unthinkable. This minireview presents the recent developments in the emerging field of rare‐earth element biochemistry from a coordination chemist's point of view and discusses why nature might have chosen these elements to have a catalytic role in alcohol dehydrogenase enzymes as they are found in methanotrophic and methylotrophic bacteria.
Quinolone derivatives and their antifungal activities: An overview
Authors: Zhang Bo
Published: April 2019

More than 300 million people suffer from the incidence of life‐threatening invasive fungal infections, resulting in over 1.35 million deaths annually. Currently, the antifungal agents available in clinics are rather limited, and the rapid development of resistance to the existing antifungal drugs has further aggravated mortality. Quinolones possess a broad spectrum of chemotherapeutic properties and demonstrate considerable antifungal activities as well. Various quinolone derivatives have been screened for their antifungal activities, and some of them exhibit excellent potency against both drug‐susceptible and drug‐resistant fungi. This review aims to outline the recent advances in quinolone derivatives as potential antifungal agents and summarize the structure–activity relationship, to provide insights for the rational design of more active candidates.
2019 American College of Rheumatology/Arthritis Foundation Guideline for the Screening, Monitoring, and Treatment of Juvenile Idiopathic Arthritis–Associated Uveitis
Authors: Angeles‐Han Sheila T. , Ringold Sarah , Beukelman Timothy , Lovell Daniel , Cuello Carlos A. , Becker Mara L. , Colbert Robert A. , Feldman Brian M. , Holland Gary N. , Ferguson Polly J. , Gewanter Harry , Guzman Jaime , Horonjeff Jennifer , Nigrovic Peter A. , Ombrello Michael J. , Passo Murray H. , Stoll Matthew L. , Rabinovich C. Egla , Sen H. Nida , Schneider Rayfel , Halyabar Olha , Hays Kimberly , Shah Amit Aakash , Sullivan Nancy , Szymanski Ann Marie , Turgunbaev Marat , Turner Amy , Reston James
Published: April 2019

Objective

To develop recommendations for the screening, monitoring, and treatment of uveitis in children with juvenile idiopathic arthritis (JIA).

Methods

Pediatric rheumatologists, ophthalmologists with expertise in uveitis, patient representatives, and methodologists generated key clinical questions to be addressed by this guideline. This was followed by a systematic literature review and rating of the available evidence according to the GRADE (Grading of Recommendations Assessment, Development and Evaluation) methodology. A group consensus process was used to compose the final recommendations and grade their strength as conditional or strong.

Results

Due to a lack of literature with good quality of evidence, recommendations were formulated on the basis of available evidence and a consensus expert opinion. Regular ophthalmic screening of children with JIA is recommended because of the risk of uveitis, and the frequency of screening should be based on individual risk factors. Regular ophthalmic monitoring of children with uveitis is recommended, and intervals should be based on ocular examination findings and treatment regimen. Ophthalmic monitoring recommendations were strong primarily because of concerns of vision‐threatening complications of uveitis with infrequent monitoring. Topical glucocorticoids should be used as initial treatment to achieve control of inflammation. Methotrexate and the monoclonal antibody tumor necrosis factor inhibitors adalimumab and infliximab are recommended when systemic treatment is needed for the management of uveitis. The timely addition of nonbiologic and biologic drugs is recommended to maintain uveitis control in children who are at continued risk of vision loss.

Conclusion

This guideline provides direction for clinicians and patients/parents making decisions on the screening, monitoring, and management of children with JIA and uveitis, using GRADE methodology and informed by a consensus process with input from rheumatology and ophthalmology experts, current literature, and patient/parent preferences and values.
Perceptions and Attitudes toward Brain Donation among the Chinese People
Authors: Zhang Qi , Deng Jing , Li Ya‐Nan , Gou Yue , Yan Xiao‐Xin , Li Fang , Pan Ai‐Hua
Published: April 2019

Postmortem human brain donation is crucial to both anatomy education and research. The China Human Brain Banking Consortium was established recently to foster brain donation in China. The purpose of this study was to gain information about the public perception of and attitudes toward brain donation and to identify factors that may impact the willingness to participate in brain donation among the Chinese people. A specifically designed questionnaire was delivered to community residents in Changsha (the capital city of Hunan province) with a total of 1,249 completed forms returned and statistically analyzed. The majority of the participants considered that brain donation would help medical research and education, and 32.0% of respondents agreed that the brain donation would help change the traditional Chinese funeral belief in keeping the body intact after death. However, participants aged over 60 years old were less supportive of this concept. Among all participants, 63.7% stated that they were not knowledgeable about brain donation, while 26.4% explicitly expressed a willingness to participate in brain donation. Age, gender, monthly household income, and knowledge about brain donation significantly affected the willingness. Compared with other age groups, a higher proportion of participants aged over 60 years old preferred to be informed by a medical college. To promote brain donation in China, especially among the elderly, better communication of its medical benefits and a reinterpretation of the Confucius view of the human body should be provided. Efforts are also needed to provide appropriate forums and sources of brain donation information to targeted communities and society in general.
Alcohol‐mediated calcium signals dysregulate pro‐survival Snai2/PUMA/Bcl2 networks to promote p53‐mediated apoptosis in avian neural crest progenitors
Authors: Flentke George R. , Baulch Joshua W. , Berres Mark E. , Garic Ana , Smith Susan M.
Published: April 2019

Background

Prenatal alcohol exposure causes distinctive craniofacial anomalies that arise, in part, from the apoptotic elimination of neural crest (NC) progenitors that form the face. This vulnerability of NC to alcohol is puzzling as they normally express the transcriptional repressor Snail1/2 (in chick Snai2), which suppresses apoptosis and promotes their migration. Here, we investigate alcohol's impact upon Snai2 function.

Methods

Chick cranial NC cells were treated with acute alcohol (52 mM, 2 hr). We evaluated NC migration, gene expression, proliferation, and apoptosis thereafter.

Results

Transient alcohol exposure induced Snai2 (191% ± 23%; p = .003) and stimulated NC migration (p = .0092). An alcohol‐induced calcium transient mediated this Snai2 induction, and BAPTA‐AM blocked whereas ionomycin mimicked these pro‐migratory effects. Alcohol suppressed CyclinD1 protein content (59.1 ± 12%, p = .007) and NC proliferation (19.7 ± 5.8%, p < .001), but these Snai2‐enriched cells still apoptosed in response to alcohol. This was explained because alcohol induced p53 (198 ± 29%, p = .023), and the p53 antagonist pifithrin‐α prevented their apoptosis. Moreover, alcohol counteracted Snai2's pro‐survival signals, and Bcl2 was repressed (68.5 ± 6.0% of controls, p = .016) and PUMA was not induced, while ATM (1.32‐fold, p = .01) and PTEN (1.30‐fold, p = .028) were elevated.

Conclusions

Alcohol's calcium transient uncouples the Snai2/p53 regulatory loop that normally prevents apoptosis during EMT. This represents a novel pathway in alcohol's neurotoxicity, and complements demonstrations that alcohol suppresses PUMA in mouse NC. We propose that the NCs migratory behavior, and their requirement for Snai2/p53 co‐expression, makes them vulnerable to stressors that dysregulate Snai2/p53 interactions, such as alcohol.
Saturation mutagenesis and self‐inducible expression of trehalose synthase in Bacillus subtilis
Authors: Liu Hongling , Wang Xihui , Yang Shaojie , Wang Ruiming , Wang Tengfei
Published: April 2019

Trehalose is a nonreducing disaccharide synthesized by trehalose synthase (TreS), which catalyzes the reversible interconversion of maltose and trehalose. We aimed to enhance the catalytic conversion of maltose to trehalose by saturation mutagenesis, and constructed a self‐inducible TreS expression system by generating a robust Bacillus subtilis recombinant. We found that the conversion yield and enzymatic activity of TreS was enhanced by saturation mutations, especially by the combination of V407M and K490L mutations. At the same time, these saturation mutations were contributing to reducing by‐products in the reaction. Compared to WT TreS, the conversion yield of maltose to trehalose was increased by 11.9%, and the kcat/Km toward trehalose was 1.33 times higher in the reaction catalyzed by treSV407M‐K490L. treSV407M‐K490L expression was further observed in the recombinant B. subtilis W800N(ΔσF) under the influence of PsrfA, Pcry3Aa, and PsrfA‐cry3Aa promoters without an inducer. It was shown that PsrfA‐cry3Aa was evidently a stronger promoter for treSV407M‐K490L expression, with the intracellular enzymatic activity of recombinant treSV407M‐K490L being over 5,800 U/g at 35 hr in TB medium. These results suggested the combination of two mutations, V407M and K490L, was conducive for the production of trehalose. In addition, the self‐inducible TreSV407M/K490L mutant in the B. subtilis host provides a low‐cost choice for the industrial production of endotoxin‐free trehalose with high yields.
Percutaneous axillary artery approach for ductal stenting in critical right ventricular outflow tract lesions in the neonatal period
Authors: Breatnach Colm R. , Aggarwal Varun , Al‐Alawi Khalid , McMahon Colin J. , Franklin Orla , Prendiville Terence , Oslizlok Paul , Walsh Kevin , Qureshi Athar M. , Kenny Damien
Published: April 2019

Objectives

We aimed to assess the experience using a percutaneous axillary artery approach for insertion of arterial ductal stents in patients with critical right ventricular outflow tract lesions at two tertiary pediatric cardiology centers.

Background

Patent ductus arteriosus stenting is an accepted palliative alternative to BT shunts for neonates with critical right heart lesions. Access to tortuous ductus' may be challenging via the femoral artery, whereas the carotid artery presents a low risk of stroke. Recently, the axillary artery has been utilized for access in these patients.

Methods

We performed a retrospective review of neonates who underwent stent placement or angioplasty using percutaneous axillary artery approach at two tertiary care centers from October 2016 to November 2018. Medical records were reviewed to ascertain demographic, clinical, and outcome data.

Results

Axillary artery access was performed in 20 patients (16 primary ductal stents and 4 re‐interventions) at a median (IQR) procedural weight of 3.4 (3–3.9) kg. Median (IQR) procedural time was 110 (75–150) min. The median (IQR) ICU stay and intubation times were 14 (0–94) hr and 5 (0–40) hr, respectively. There were three access‐related vascular complications which were managed conservatively with no long‐term effects. Two patients subsequently died due to non‐procedure related causes.

Conclusions

Ductal stenting via a percutaneous axillary artery approach is a viable option in neonates with critical right ventricular outflow tract lesions. This approach provides an additional access site for PDA stenting which may be utilized in patients with vertical duct morphology.
Engineered Recombinant Proteins for Aqueous Ultrasonic Exfoliation and Dispersion of Biofunctionalized 2D Materials
Authors: Li Bing , Wang Tiankuo , Wang Xin , Wu Xin , Wang Chenyu , Miao Feng , Qin Meng , Wang Wei , Cao Yi
Published: April 2019

Invited for the cover of this issue are the groups of Wei Wang and Yi Cao at the Nanjing University. The image depicts engineered recombinant proteins binding specifically to graphene layers, allowing for their efficient exfoliation and dispersion. Read the full text of the article at 10.1002/chem.201900716.
Enantioselective Catalytic [4+1]‐Cyclization of ortho‐Hydroxy‐para‐Quinone Methides with Allenoates
Authors: Zielke Katharina , Kováč Ondřej , Winter Michael , Pospíšil Jiří , Waser Mario
Published: April 2019

The first highly asymmetric catalytic synthesis of densely functionalized dihydrobenzofurans is reported, which starts from ortho‐hydroxy‐containing para‐quinone methides. The reaction relies on an unprecedented formal [4+1]‐annulation of these quinone methides with allenoates in the presence of a commercially available chiral phosphine catalyst. The chiral dihydrobenzofurans were obtained as single diastereomers in yields up to 90 % and with enantiomeric ratios up to 95:5.
The impact of environmental, social, and governance performance on stock prices: Evidence from the banking industry
Authors: Miralles‐Quirós María Mar , Miralles‐Quirós José Luis , Redondo‐Hernández Jesús
Published: April 2019

After the global financial crisis, commercial banks have increased their social responsibility activities with the aim of reinforcing the credibility and trust that their stakeholders have in them. However, prior research about the value relevance for their financial stakeholders of these sustainable practices is scarce. In this context, the aim of this research is to examine whether environmental, social, and governance (ESG) performance of commercial banks listed on 20 different stock markets provides relevant information and has a significant impact on stock prices over the 2002–2015 period. Our overall results reveal that stock market investors value the three ESG pillars in a different manner. We also observe that the value relevance of ESG performance is significantly higher for banks from common law countries and after the global financial crisis. These findings could have several implications for internal and external stakeholders such as managers, investors, and market regulators.
Relationships of biological and environmental factors to cognition of preterm infants in the toddler and preschool periods
Authors: Ross Gail S. , Perlman Jeffrey M.
Published: April 2019

One hundred and nine preterm infants were studied to examine the relative effects of biologic/neurologic factors (length of hospital stay, 18 month cognitive status) and environment (socioeconomic status) on cognition in the toddler (18 months) and preschool periods (3 years). Length of hospital stay was significantly related to toddler cognitive outcome, and less so to preschool outcome. Socioeconomic status predicted only preschool cognitive outcome and not toddler outcome. Cognitive status at 18 months significantly predicted 3 year outcome, and there was relatively little change between those periods. Together, cognitive status at 18 months and socioeconomic status significantly predicted preschool IQ, accounting for 34% of the variance. Results showed that perinatal biologic risks became less salient while socioeconomic status became increasingly important at the preschool period. Relative lack of change in cognitive status indicated the importance of early cognitive evaluation in preterm infants.
Budget impact of intravenous ferric carboxymaltose in patients with chronic heart failure and iron deficiency in France
Authors: Bourguignon Sandrine , Faller Mathilde , Champs François‐Olivier , Moutier Hélène , Levesque Karine , Caranhac Gilbert , Cohen‐Solal Alain
Published: April 2019

Aims

This analysis aims to evaluate the budget impact of intravenous iron therapy with ferric carboxymaltose for patients with systolic chronic heart failure and iron deficiency, from the perspective of the French public health insurance.

Methods and results

A budget impact model was adapted to forecast the budget impact over 5 years, according to two scenarios: one where patients receive ferric carboxymaltose according to market share forecast and another where patients are not treated for iron deficiency. Clinical data were extrapolated from pooled data from four randomized controlled trials. The time horizon was extended to 5 years by applying transition probabilities estimated from the CONFIRM‐HF trial. Epidemiological parameters for France were derived from the literature. Cost parameters were derived from national available databases.

In the base case analysis, the modelled 5 year cost difference between the scenarios with ferric carboxymaltose vs. no iron deficiency treatment in a population of 189 334 prevalent and incident patients led to €0.8m savings. The cumulative savings resulted from a reduction in the hospitalization costs associated with worsening heart failure (€−35.8m) as well as a reduction in the follow‐up costs (€−2.9m). These cost savings outweighed the costs of ferric carboxymaltose treatment (€37.7m). Sensitivity analyses showed that the budget impact varied from €−34m to €+146m. Parameters with the most impact on the budget were the hospitalization rate for patients not treated for iron deficiency, the number of ambulatory sessions needed, the absence of hospitalization cost differentiation between New York Heart Association classes, and administration settings costs.

Conclusions

Iron deficiency treatment with ferric carboxymaltose in systolic chronic heart failure patients results in an improvement of New York Heart Association class and thereby increases the well‐being of the patients, while providing an overall cost saving for the French national health insurance.
Strain‐encoded magnetic resonance: a method for the assessment of myocardial deformation
Authors: Korosoglou Grigorios , Giusca Sorin , Hofmann Nina P. , Patel Amit R. , Lapinskas Tomas , Pieske Burkert , Steen Henning , Katus Hugo A. , Kelle Sebastian
Published: April 2019

This study aims to assess the usefulness of strain‐encoded magnetic resonance (SENC) for the quantification of myocardial deformation (‘strain’) in healthy volunteers and for the diagnostic workup of patients with different cardiovascular pathologies. SENC was initially described in the year 2001. Since then, the SENC sequence has undergone several technical developments, aiming at the detection of strain during single‐heartbeat acquisitions (fast‐SENC). Experimental and clinical studies that used SENC and fast‐SENC or compared SENC with conventional cine or tagged magnetic resonance in phantoms, animals, healthy volunteers, or patients were systematically searched for in PubMed. Using ‘strain‐encoded magnetic resonance and SENC’ as keywords, three phantom and three animal studies were identified, along with 27 further clinical studies, involving 185 healthy subjects and 904 patients. SENC (i) enabled reproducible assessment of myocardial deformation in vitro, in animals and in healthy volunteers, (ii) showed high reproducibility and substantially lower time spent compared with conventional tagging, (iii) exhibited incremental value to standard cine imaging for the detection of inducible ischaemia and for the risk stratification of patients with ischaemic heart disease, and (iv) enabled the diagnostic classification of patients with transplant vasculopathy, cardiomyopathies, pulmonary hypertension, and diabetic heart disease. SENC has the potential to detect a wide range of myocardial diseases early, accurately, and without the need of contrast agent injection, possibly enabling the initiation of specific cardiac therapies during earlier disease stages. Its one‐heartbeat acquisition mode during free breathing results in shorter cardiovascular magnetic resonance protocols, making its implementation in the clinical realm promising.
Proton Relay Effects in Pyridyl‐Appended Hydrogenase Mimics for Proton Reduction Catalysis
Authors: Zaffaroni Riccardo , Dzik Wojciech I. , Detz Remko J. , van der Vlugt Jarl Ivar , Reek Joost N. H.
Published: April 2019

Hydrogenase enzymes are fast proton reduction catalysts, and their synthetic mimics have been widely studied in the context of solar fuel applications. The mimics are still not nearly as effective as the enzyme, as they lack crucial structural elements, including proton‐relays and electron reservoirs. In this contribution we report di‐iron hydrogenase model complexes of the type Fe2(X4bdt)(PPy3)n(CO)6‐n (X = H, Cl, F; n= 0, 1, 2; PPy3= tris(m‐pyridyl)phosphane), featuring pyridyl‐appended phosphane ligands able to act as proton relays. In organic solvents, in the presence of weak acid, the pyridyl groups remain unprotonated during the catalytic cycle; thus, proton preorganization does not occur, and the complexes display catalytic rate constants in the order of 103 M–1 s–1. Protonation of the pyridine allows for dissolution of the complexes in acidic aqueous media thus facilitating proton pre‐organization, but at the same time counterbalancing the electron‐donating abilities of the phosphane ligands. Catalysis thus occurs at the first reduction potential of the complexes with rate constants up to 108 M–1 s–1, well beyond those observed for the natural enzymes and among the highest reported so far.
As–P vs. P–P Insertion in AsP3: Kinetic Control of the Formation of [AsP3NO]+
Authors: Engesser Tobias A. , Transue Wesley J. , Weis Philippe , Cummins Christopher C. , Krossing Ingo
Published: April 2019

The synthesis of mixed arsenic phosphorus cations was investigated on theoretical and experimental grounds by replacing P4 with AsP3 in the known syntheses of [P4NO]+ and [P9]+. Calculations of [AsP3NO]+ and [AsP8]+ showed that 1‐[AsP3NO]+ and 3‐[AsP8]+ should be the most stable isomers. However, 2‐[AsP3NO]+ was prepared by reacting [NO]+[Al(ORF)4]– (RF = C(CF3)3) with AsP3 with a regioselectivity of 45:1. The kinetic control of this reaction was proven by calculation of the complete reaction mechanism. Examination of the formation energetics of the [AsxP4–xNO]+ (x = 0, 1, 4) and [AsxP9‐x]+ (x = 0, 1, 9) cations at the CCSD(T)/complete basis set limit level showed that for [AsxP4–xNO]+ (x = 0, 1, 4), the replacement of phosphorus by arsenic leads to more exergonic formation energetics. For the [AsxP9‐x]+ clusters (x = 0, 1, 9), the reaction to [AsP8]+ is slightly more exergonic compared to the synthesis of [P9]+. The calculation of the reaction to the homopolyatomic arsenic cation [As9]+ suggested that this reaction will at least be very difficult. Attempts to prepare [AsxP9‐x]+ from AsP3 as well as [Asx]+ from gray arsenic led to the formation of [AsP3NO]+, [P4NO]+, [P9]+ and P4 in case of [AsxP9‐x]+ and decomposition products (e.g. novel As(ORF)3) for [Asx]+.
Zinc Chloride Mediated Synthesis of 3H‐Oxazol‐2‐one and Pyrrolo‐oxazin‐1‐one from Ynamide
Authors: Habert Loïc , Sallio Romain , Durandetti Muriel , Gosmini Corinne , Gillaizeau Isabelle
Published: April 2019

A simple zinc chloride mediated cyclization of ynamidyl N‐carbamates or 2‐ynamidyl‐(hetero)arylcarboxylates is achieved under mild reaction conditions, leading to the synthesis of useful heterocyclic scaffolds, 3H‐oxazol‐2‐ones and pyrrolo‐oxazin‐1‐ones, with good yields.
Glassy Carbon Electrode Modified via Molybdenum Disulfide Decorated Multiwalled Carbon Nanotubes for Sensitive Voltammetric Detection of Aristolochic Acids
Authors: Wang Ying , Mamat Xamxikamar , Li Yongtao , Hu Xun , Wang Ping , Dong Yemin , Hu Guangzhi
Published: April 2019

In this study, a molybdenum disulfide/multiwalled carbon nanotubes (MoS2@MWCNTs) nanocomposite was synthesized by employing a simple hydrothermal method. The flower‐like structure of the MoS2@MWCNTs was characterized via scanning electron microscopy (SEM) and transmission electron microscopy (TEM), and the load of crystalline MoS2 was verified via X‐ray diffraction (XRD) and energy‐dispersive spectroscopy (EDS). The as‐prepared MoS2@MWCNTs nanocomposite was used to modify glassy carbon electrode (GCE) as an electrochemical sensor for detecting aristolochic acids (AAs). With the optimized parameters, the proposed electrochemical sensor exhibited good sensitivity and a broad linear concentration range for detecting AAs from 0.2 to 10 μmol/L and 10 to 100 μmol/L, with the sensitivity of −3.10 μA/(μmol/L) and −0.91 μA/(μmol/L), respectively. The detection limit was also calculated as 0.06 μmol/L (S/N=3) based on the low background signal. Furthermore, the modified electrochemical sensor exhibited good selectivity, repeatability, reproducibility, and stability, thus showing potential application for detecting AA in chinese herbs with good mean recovery and accuracy. In other words, the MoS2@MWCNTs/GCE can be used as an excellent platform to detect AAs.
Reversing current rectification to improve DNA‐sensing sensitivity in conical nanopores
Authors: Cai Xiu‐Hong , Cao Shuo‐Hui , Cai Sheng‐Lin , Wu Yuan‐Yi , Ajmal Muhammad , Li Yao‐Qun
Published: April 2019

Herein, we report the ultrasensitive DNA detection through designing an elegant nanopore biosensor as the first case to realize the reversal of current rectification direction for sensing. Attributed to the unique asymmetric structure, the glass conical nanopore exhibits the sensitive response to the surface charge, which can be facilely monitored by ion current rectification curves. In our design, an enzymatic cleavage reaction was employed to alter the surface charge of the nanopore for DNA sensing. The measured ion current rectification was strongly responsive to DNA concentrations, even reaching to the reversed status from the negative ratio (−6.5) to the positive ratio (+16.1). The detectable concentration for DNA was as low as 0.1 fM. This is an ultrasensitive and label‐free DNA sensing approach, based on the rectification direction‐reversed amplification in a single glass conical nanopore.
Evaluation of a High‐Intensive Mixing Process in a Ring Shear Mixer and Its Impact on the Properties of Composite Particles for Lithium–Sulfur Battery Cathodes
Authors: Titscher Paul , Götz von Olenhusen Alexander , Arlt Tobias , Manke Ingo , Kwade Arno
Published: April 2019

The use of a high‐intensive ring shear mixing system to produce the composite materials from carbon black and sulfur for cathodes in lithium–sulfur batteries is described. The examined process is evaluated concerning its stress mechanism and its influence on the properties of the resulting composite materials. The architecture of the composites can be described as a core–shell structure, whose size and strength depend on the expended stress input from the mixing process. The comparison of electrodes from these composite particles with a reference cathode based on pure carbon black proves an increase in the energy density of approximately 30%. Furthermore, using the composite particles, a higher amount of additional carbon black enables an increase in the specific capacity of approximately 25% due to the improvement of the mechanical properties of the coating.
2D Semiconductor Bi2WO6 Nanosheets as the Pt Carriers for Ethylene Glycol Oxidation Reaction with Photoelectric Interaction
Authors: Gao Haifeng , Zhai Chunyang , Zhang Hongmin , Fu Nianqing , Du Yukou , Zhu Mingshan
Published: April 2019

Ethylene glycol oxidation reaction (EGOR) is a key anode reaction in direct ethylene glycol fuel cells (DEGFCs). Herein, 2D semiconductor bismuth tungstate (Bi2WO6) nanosheets are facilely prepared and used as carriers for the deposition of platinum nanoparticles (Pt NPs). The resultant material is used as the working electrode in the application of DEGFCs. Due to the excellent absorption property of Bi2WO6 in visible light, the optimized Pt‐Bi2WO6 electrode (Pt at 20 wt%) shows improved catalytic activity and stability with visible‐light illumination. The current density using the Pt‐Bi2WO6 electrode reaches 492.5 mA mg−1Pt with visible‐light irradiation, which is about 4.2 fold higher in comparison with the same electrode in dark conditions. This 2D sheet‐like support, together with the visible‐light response of Bi2WO6, induces the deposition of ultra‐small sizes of Pt (5.4 nm) and the synergistic effect of electrocatalytic and photocatalytic ethylene glycol oxidation, thus greatly improving the photoelectric catalytic property of EGOR.
Self‐centering friction spring dampers for seismic resilience
Authors: Wang Wei , Fang Cheng , Zhao Yashuo , Sause Richard , Hu Shuling , Ricles James
Published: April 2019

This paper presents a comprehensive study on self‐centering dampers equipped with friction springs. The basic mechanical behavior of individual friction springs is first understood via analytical descriptions that are verified by a preliminary experimental study. The working principle, fabrication process, and mechanical performance of the proposed dampers are subsequently described, where the design details related to seismic applications are highlighted. This is followed by physical tests on three damper specimens, where the influence of the treatment of the taper surfaces of the friction springs on the overall damper behavior is examined, and the reliability of the dampers under repeated rounds of cyclic loading is evaluated. The damper specimens show reliable flag‐shaped load‐deformation hysteretic curves with excellent self‐centering capability. Satisfactory energy dissipation with an equivalent viscous damping (EVD) of up to 20% is shown, and the EVD is stabilized throughout the entire loading process. The dampers are capable of withstanding multiple rounds of cyclic loading with stable hysteretic behavior, indicating that they are fully reusable after multiple strong earthquakes. A larger friction coefficient on the taper surfaces leads to increased yield load and energy dissipation. Following the experimental study, some practical design recommendations are provided. Based on the available analytical model, an additional parametric study is performed to highlight the influences of precompression and friction condition of the friction springs on the damper behavior. Finally, the seismic performance of a building which adopts the friction spring dampers is evaluated via numerical simulation.
Anxiety and depressive symptoms are related to core symptoms, general health outcome, and medical comorbidities in eating disorders
Authors: Martín Josune , Arostegui Inmaculada , Loroño Ane , Padierna Angel , Najera‐Zuloaga Josu , Quintana José M.
Published: April 2019

Objective

The goal of this study is to identify potential factors that have a significant effect on anxiety and depression of patients with eating disorders (ED) using the beta‐binomial regression (BBR) approach on a broad sample of patients.

Method

This cross‐sectional study involved 520 ED patients. The effect of sociodemographics, core symptoms, general health outcomes, and medical comorbidities in anxiety and depression were analysed jointly using the beta‐binomial mixed‐effects model.

Results

Two hundred fifty‐five (49.4%) patients had anorexia nervosa, 173 (33.3%) patients had bulimia nervosa, and 92 (17.7%) had ED not otherwise specified. A high level of anxiety was associated, among other variables, with having a restrictive ED subtype as compared with purgative and binge ED subtypes (β = −0.2, p < 0.001, OR = 0.82 and β = −0.16, p < 0.03, OR = 0.85, respectively), with having a high level of ED symptomatology or with living not alone (β = −0.23, p = 0.002, OR = 0.80). A high level of depression was associated, among other variables, with older age (β = 0.74, p < 0.001, OR = 2.1).

Conclusions

The results of our study suggest that depressive and anxiety symptoms are related to ED symptoms, health status, ED subtype, medical comorbitidy, and educational level. In addition, another interesting finding is the inverse association between symptomatology of anxiety and living alone. Finally, BBR may be a useful approach in interpreting patient‐reported outcome as odds.
From books to bytes: A new data rescue tool
Authors: Slonosky Victoria , Sieber Renée , Burr Gordon , Podolsky Lori , Smith Robert , Bartlett Madeleine , Park Eun , Cullen Jeremy , Fabry Frédéric
Published: April 2019

Historical data provides observational information crucial to our understanding of the evolution of geophysical processes. However, there is a gap between predigital age observations, which are typically handwritten, and data that is discoverable and analysable. The data rescue protocols here address this gap, covering the information lifecycle from handwritten register pages to transcription‐ready content, describing the historical data, the database design for the data rescue, and the development of an application design to transcribe the meteorological information directly from an image file to the database. The preparatory steps necessary to organize, curate, image, and structure the meteorological information, prior to transcribing the historical data, are outlined here in an integrated methodology. The initial organization, the development of an image file nomenclature to link the rescued data to the original source, and the description of a metadata schema to optimize the transcription application are all vital to the process of ensuring traceability and transparency in the data rescue process. Taken together, these steps describe best practices guidelines for similar projects. Although we designed the methodology and application to be used in any data rescue context, our particular concern was to accommodate the needs of citizen scientists. We thus focused on making our application easily maintained, flexible, direct to database, clear, and simple to use.

Open Practices

This article has earned an Open Data badge for making publicly available the digitally‐shareable data necessary to reproduce the reported results. The data is available at https://citsci.geog.mcgill.ca. Learn more about the Open Practices badges from the Center for Open Science: https://osf.io/tvyxz/wiki.
Repression of MicroRNA‐30e by Hepatitis C Virus Enhances Fatty Acid Synthesis
Authors: Sasaki Reina , Sur Subhayan , Cheng Qi , Steele Robert , Ray Ratna B.
Published: April 2019

Chronic hepatitis C virus (HCV) infection often leads to end‐stage liver disease, including hepatocellular carcinoma (HCC). We have previously observed reduced expression of microRNA‐30e (miR‐30e) in the liver tissues and sera of patients with HCV‐associated HCC, although biological functions remain unknown. In this study, we demonstrated that HCV infection of hepatocytes transcriptionally reduces miR‐30e expression by modulating CCAAT/enhancer binding protein β. In silico prediction suggests that autophagy‐related gene 5 (ATG5) is a direct target of miR‐30e. ATG5 is involved in autophagy biogenesis, and HCV infection in hepatocytes induces autophagy. We showed the presence of ATG5 in the miR‐30e–Argonaute 2 RNA‐induced silencing complex. Overexpression of miR‐30e in HCV‐infected hepatocytes inhibits autophagy activation. Subsequent studies suggested that ATG5 knockdown in Huh7.5 cells results in the remarkable inhibition of sterol regulatory element binding protein (SREBP)‐1c and fatty acid synthase (FASN) level. We also showed that overexpression of miR‐30e decreased lipid synthesis‐related protein SREBP‐1c and FASN in hepatocytes. Conclusion: We show new mechanistic insights into the interactions between autophagy and lipid synthesis through inhibition of miR‐30e in HCV‐infected hepatocytes.
ROCplot.org: Validating predictive biomarkers of chemotherapy/hormonal therapy/anti‐HER2 therapy using transcriptomic data of 3,104 breast cancer patients
Authors: Fekete János T. , Győrffy Balázs
Published: April 2019

Systemic therapy of breast cancer can include chemotherapy, hormonal therapy and targeted therapy. Prognostic biomarkers are able to predict survival and predictive biomarkers are able to predict therapy response. In this report, we describe the initial release of the first available online tool able to identify gene expression‐based predictive biomarkers using transcriptomic data of a large set of breast cancer patients. Published gene expression data of 36 publicly available datasets were integrated with treatment data into a unified database. Response to therapy was determined using either author‐reported pathological complete response data (n = 1,775) or relapse‐free survival status at 5 years (n = 1,329). Treatment data includes chemotherapy (n = 2,108), endocrine therapy (n = 971) and anti‐human epidermal growth factor receptor 2 (HER2) therapy (n = 267). The transcriptomic database includes 20,089 unique genes and 54,675 probe sets. Gene expression and therapy response are compared using receiver operating characteristics and Mann–Whitney tests. We demonstrate the utility of the pipeline by cross‐validating 23 paclitaxel resistance‐associated genes in different molecular subtypes of breast cancer. An additional set of established biomarkers including TP53 for chemotherapy in Luminal breast cancer (p = 1.01E‐19, AUC = 0.769), HER2 for trastuzumab therapy (p = 8.4E‐04, AUC = 0.629) and PGR for hormonal therapy (p = 8.6E‐05, AUC = 0.7), are also endorsed. The tool is designed to validate and rank new predictive biomarker candidates in real time. By analyzing the selected genes in a large set of independent patients, one can select the most robust candidates and quickly eliminate those that are most likely to fail in a clinical setting. The analysis tool is accessible at www.rocplot.org.
Agathisflavone: Botanical sources, therapeutic promises, and molecular docking study
Authors: Islam Muhammad Torequl , Zihad S. M. Neamul Kabir , Rahman Md. Shamim , Sifat Nazifa , Khan Md. Roich , Uddin Shaikh Jamal , Rouf Razina
Published: April 2019

In this article, we have summarized the biological sources and pharmacological activities of agathisflavone along with molecular docking studies to correlate the interaction of this biflavonoid and biomacromolecules involving in its biological effects observed in database‐oriented scientific reports. For this, an up‐to‐date (from 1991 to October 2018) search was done on the databases such as PubMed, Science Direct, Web of Science, Scopus, The American Chemical Society, Clinicaltrials.gov, and Google Scholar databases. The findings suggest that agathisflavone possesses antioxidant, anti‐inflammatory, antiviral, antiparasitic, cytotoxic, neuroprotective, and hepatoprotective activities. An in silico study of agathisflavone against 17 essential proteins/enzymes revealed that inducible nitric oxide synthase (iNOS) and cyclooxygenase (COX)‐2 are the most efficient enzymes for the interaction and binding of this biflavonoid for its anti‐inflammatory activity. In conclusion, agathisflavone may be one of the promising plant‐derived lead compounds in the treatment of oxidative stress, inflammatory diseases, microbial infection, hepatic and neurological diseases and disorders, and cancer. © 2019 IUBMB Life, 71(9):1192–1200, 2019
Acteoside inhibits autophagic apoptosis of retinal ganglion cells to rescue glaucoma‐induced optic atrophy
Authors: Chen Qianbo , Xi Xiaoting , Zeng Yong , He Zhendan , Zhao Jianfeng , Li Yan
Published: April 2019

Background

Glaucoma is the world's second biggest cause of blindness, and patients progressively lose their eyesight. The current clinical treatment for glaucoma involves controlling intraocular pressure with drugs or surgery; however, some patients still progressively lose their eyesight. This treatment is also similar to the treatment of traumatic optic neuropathy. Thus, saving retinal ganglion cells (RGCs) from apoptosis is essential.

Methods

The role of Acteoside on autophagy modulation in the 661 W cell line.

Results

In this study, we first find that Acteoside inhibits autophagy, Rapamycin alleviates this inhibition and the PI3K inhibitor, 3‐MA or LY294002, synergistically promotes it. In a mechanistic study, we find that Optineurin (OPTN) mediates Acteoside regulation of autophagy. OPTN overexpression or knockdown activates or inhibits autophagy, respectively. OPTN is inhibited by autophagy inhibitors, such as Acteoside and 3‐MA and is promoted by the autophagy activator, Rapamycin. Meanwhile, PI3K and AKT are elevated by Acteoside and 3‐MA and inhibited by Rapamycin. Finally, we find that Acteoside inhibits apoptosis in parallel to autophagy and that this inhibition is also mediated by OPTN.

Conclusion

In summary, we conclude that Acteoside inhibits autophagy‐induced apoptosis in RGCs through the OPTN and PI3K/AKT/mTOR pathway, and glaucoma patients may benefit from Acteoside treatment alone or in combination with other autophagy inhibitors.