bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electroanalysis of Pharmaceuticals on Boron‐Doped Diamond Electrodes: A Review
Authors: Sousa Camila P. , Ribeiro Francisco W. P. , Oliveira Thiago M. B. F. , Salazar‐Banda Giancarlo R. , de Lima‐Neto Pedro , Morais Simone , Correia Adriana N. 
Published: February 2019

AbstractBoron‐doped diamond (BDD) electrodes possess outstanding physical, chemical, and electronic properties and have been successfully, yet in a limited way, explored in the electroanalysis of substances with therapeutic action (analgesics, antipyretics, antibiotics, anti‐inflammatories, antihypertensives, antidepressants, vitamins, and others) in diverse milieus (pharmaceutical formulations, urine, serum, whole blood, surface waters, seawaters, groundwater, wastewaters, etc.). Therefore, in this Review, a broad overview of the available scientific information on recent progress and achievements of the application of bare or modified BDD electrodes to the bioanalytical and environmental detection of pharmaceutical compounds is presented. The main parameters, for example boron concentration, applied operational conditions during pretreatment, chemical and physical structure, and other influential factors on the electroanalytical BDD electrodes performance, are discussed.
Metabolism‐Inspired Electrosynthesis
Authors: Rahman Muhammad H. , Bal Mandeep K. , Jones Alan M. 
Published: February 2019

AbstractDrug metabolism is a critical stage in the development of new chemical entities to understand how the drug will behave in the body and to reveal potential toxic metabolites. In this Review, we discuss how a renaissance in the applications of synthetic electrochemistry can be employed both to identify drug metabolites (and mechanisms) and enable electrosynthetic preparation of drug metabolites for further analysis. Recent advances in electro‐oxidative drug reactions are reviewed together with a perspective on the future use of electrosynthesis to diversify lead stage drug molecules to enable rapid testing of advanced analogues. A focus on the remarkable advances in the last decade with the inclusion of seminal papers for contextual analysis are reviewed.
Understanding the Effect of Different Synthesis Conditions on the Physicochemical Properties of Mixed‐Ion Perovskite Solar Cells
Authors: Quere Brian , Pydzińska‐Białek Katarzyna , Karolczak Jerzy , Nowaczyk Grzegorz , Coy Emerson , Ziółek Marcin 
Published: February 2019

AbstractPerovskite solar cells, composed of a mixture of methylammonium (MA) and formamidinium (FA) cations [in the benchmark proportions of (FAPbI3)0.85(MAPbBr3)0.15] and titania as an electron‐accepting material, are prepared under different conditions, with the objective of finding correlations between the solar cell performance and several important stationary and dynamical parameters of the material. The effects of humidity, oxygen, the use of anti‐solvent, and the presence and quality of a mesoporous titania layer are investigated. It is found that an increase in the photocurrent corresponds to a higher content of the desired cubic perovskite phase and to increased long‐wavelength absorption of the sample. On the contrary, for poorer‐quality cells, additional short‐wavelength bands in both absorption and emission spectra are present. Furthermore, a higher photocurrent of the cells is correlated with faster interfacial charge‐transfer dynamics. For the highest photocurrent of >20 mA cm−2, the characteristic times of about 1 μs are observed by electrochemical impedance spectroscopy, and emission half‐lifetimes of about 6 ns by time‐resolved fluorescence spectroscopy (upon excitation with 420 nm pulses of ≈0.5 mW power). Both first‐ and second‐order rate constants, extracted from the emission measurements, are greater for the cells showing higher photocurrents, probably owing to a more rapid charge injection.
C−F Bond Activation Mediated by Phosphorus Compounds
Authors: Bayne Julia M. , Stephan Douglas W. 
Published: February 2019

AbstractThe activation and functionalization of C−F bonds has garnered significant attention in the scientific community as a strategy to mitigate toxicity and environmental concerns, as well as provide new pathways to agro‐ and pharmaceutical chemicals and materials. Although several transition‐metal‐based systems have been developed for this transformation, the use of main‐group compounds remains less explored. In recent years, several strategies for C−F bond activation have focused on the use of phosphorus‐based reagents. In this Minireview, an overview of strategies is provided that exploits PV and PIII‐based Lewis acids as well as PIII Lewis bases in frustrated Lewis pair (FLP) protocols for hydrodefluorination, C−C couplings and C−F derivatizations.
Two desired epitopes of cTnI benefit for preparation of standardized monoclonal antibodies
Authors: Yan JunJie , Yang QiLing , Li WenLi , Yu Juan , Xie Jun , Xiang JunJian , Wang Hong 
Published: February 2019

AbstractAcute myocardial infarction (AMI) is one of the most severe cardiovascular diseases in humans, often resulting in unexpected death. Early detection is critical for patient survival. Sandwich ELISA is a common method for the detection of AMI. However, ELISA kits from different manufacturers can give different results, in part because of the lack of standardized epitopes. Therefore, the purpose of this study was to find two standardized epitopes. We predicted two antigen epitopes and respectively immunize mice to manufacture standardized monoclonal antibodies. Eight monoclonal antibodies were prepared. Monoclonal antibodies 7D2 and 2C3 were selected with high affinity, and their characteristics were explored. The results show that monoclonal antibodies 7D2 and 2C3 can both bind to various modified forms and complexes of cardiac troponin I (cTnI), were not cross‐reaction with related antigens of normal human serum and can be paired. Therefore, we deem epitopes 30 to 42 and 77 to 89 standardized epitopes.
The Effect of Correlated Kinetic Parameters on (Bio)Chemical Reaction Networks
Authors: Xie Xiangzhong , Schenkendorf René , Krewer Ulrike 
Published: February 2019

AbstractExploiting the information provided by (bio)chemical reaction networks has proved beneficial for process analysis and design. To this end, parameter uncertainties have to be included in the analysis and design of (bio)chemical processes to ensure reliable model‐based results. The goal is to investigate the impact of parameter correlations on (bio)chemical reaction networks and parameter sensitivities. An efficient sensitivity analysis concept is demonstrated with two simulation studies, and the results indicate a significant impact of the parameter correlations on the derived parameter sensitivities and the model‐based results in general.
Chiral Pool Synthesis, Biological Evaluation and Molecular Docking Studies of C‐Furanosidic LpxC Inhibitors
Authors: Dreger Alexander , Kharwb Omar , Agoglitta Oriana , Bülbül Emre F. , Melesina Jelena , Sippl Wolfgang , Holl Ralph 
Published: February 2019

AbstractInhibitors of the bacterial deacetylase LpxC are a promising class of novel antibiotics, being selectively active against Gram‐negative bacteria. To improve the biological activity of reported C‐furanosidic LpxC inhibitors, the stereochemistry at positions 3 and 4 of the tetrahydrofuran ring was varied. In chiral pool syntheses starting from d‐gulono‐γ‐lactone and d‐ribose, a series of (3S,4R)‐configured dihydroxytetrahydrofuran derivatives was obtained, of which the (2S,5S)‐configured hydroxamic acid 15 ((2S,3S,4R,5S)‐N,3,4‐trihydroxy‐5‐(4‐{[4‐(morpholinomethyl)phenyl]ethynyl}phenyl)tetrahydrofuran‐2‐carboxamide) was found to be the most potent LpxC inhibitor (Ki=0.4 μm), exhibiting the highest antibacterial activity against E. coli BL21 (DE3) and the D22 strain. Additionally, molecular docking studies were performed to rationalize the obtained structure–activity relationships.
Biomass Derived Graphene‐Like Carbons for Electrocatalytic Oxygen Reduction Reaction
Authors: Huang Baobing , Xia Miao , Qiu Jiugen , Xie Zailai 
Published: February 2019

AbstractTwo‐dimensional carbons synthesis through sustainable bio‐manufacturing methods has attracted much attention in the past decade. This process facilitates low cost and facile manufacturing of porous carbon materials with specific characteristics, as well as chemical functions that differ from their bulk counterparts due to the low dimensionality. Herein, a unique graphene‐like carbon framework composed of three‐dimensionally interconnected nanosheets has been successfully fabricated via carbonization of a biomass precursor guanine and colloidal silica. The obtained two‐dimensional carbon materials, consisting of carbon nanosheets with varying sizes, can provide huge exposed areas. Owing to the merits of in situ nitrogen‐doping, particularly the optimization of nitrogen species and significant improvement in porosity, the sample GHS‐1000‐2.5 delivers the outstanding electrochemical activity towards oxygen reduction reaction in both acid and alkaline conditions, which are comparable to the commercial Pt/C catalyst and show even better performance under the same conditions. This highly efficient, facile and low‐cost strategy is expected to meet the requirements for the commercialization for fuel cells.
Supramolecular Self‐Assembly of DNA with a Cationic Polythiophene: From Polyplexes to Fibers
Authors: Leclercq Maxime , Rubio‐Magnieto Jenifer , Mohammed Danahe , Gabriele Sylvain , Leclercq Laurent , Cottet Hervé , Richeter Sébastien , Clément Sébastien , Surin Mathieu 
Published: February 2019

AbstractCationic polythiophenes constitute an interesting class of polymers for prospective applications in imaging, gene delivery and biosensing, as they combine solubility in aqueous media and have sensitive optical properties for the detection of biomolecules such as DNA. Here, we study the supramolecular self‐assembly of poly[3‐(6’‐(trimethylphosphonium)hexyl)thiophene‐2,5‐diyl] (P3HT‐PMe3) with different types of DNA such as single‐stranded oligonucleotides or long genomic DNA. Self‐assembly in buffered aqueous solution yields polyplexes (polymer/DNA complexes) with hydrodynamic radii ranging from 7 nm to around 25 nm, as observed by Taylor Dispersion Analysis. In these polyplexes, the achiral polymer presents chiroptical signals induced by supramolecular organization along chiral DNA. When the solution of long DNA/P3HT‐PMe3 is deposited on surfaces, tens of μm‐long fibers are formed by condensation of DNA and compaction of the polyplexes, as evidenced by microscopy techniques.
Self‐Formed Protection Layer on a 3D Lithium Metal Anode for Ultrastable Lithium–Sulfur Batteries
Authors: Yan Xinxiu , Zhang Huan , Huang Meiling , Qu Meizhen , Wei Zhikai 
Published: February 2019

AbstractLithium metal anodes are a key component of high‐energy‐density lithium–sulfur (Li–S) batteries. However, the issues associated with lithium anodes remain unsolved owing to the immature lithium anode construction and protection technology, which leads to internal short circuits, poor capacity retention, and low coulombic efficiency for high‐sulfur‐loading Li–S batteries. Herein, a highly stable 3D lithium carbon fiber composite (3D LiCF) anode for high‐sulfur‐loading Li–S batteries was demonstrated, in which a self‐formed hybrid solid‐electrolyte protection layer was constructed on a lithium metal surface through codeposition of thiophenolate ions and inorganic lithium salts by using diphenyl disulfide as a co‐additive in the electrolyte. The aromatic components from thiophenolate could improve the stability of the protection layer, and the 3D structure of the carbon fiber could effectively buffer the volume effect during lithium cycling. A Li–S battery based on a 3D LiCF anode exhibited excellent cycling stability with an energy efficiency of 89.2 % for 100 cycles in terms of a high energy density of 22.3 mWh cm−2 (10 mAh cm−2 area capacity of lithium cycling). This contribution demonstrates versatile and ingenious strategies for the construction of a 3D lithium anode structure and protection layer, providing an effective solution for practical stable Li–S batteries.
MgSc2Se4—A Magnesium Solid Ionic Conductor for All‐Solid‐State Mg Batteries?
Authors: Wang Li‐Ping , Zhao‐Karger Zhirong , Klein Franziska , Chable Johann , Braun Tobias , Schür Annika R. , Wang Chun‐Ru , Guo Yu‐Guo , Fichtner Maximilian 
Published: February 2019

AbstractRecently, the ternary spinel selenide MgSc2Se4 was proposed to have high magnesium ion mobility and is therefore an interesting potential candidate as a solid electrolyte in magnesium secondary batteries. To test the properties of the material, a modified solid‐state reaction was used to synthesize pure MgSc2Se4. Electrochemical characterizations identified detrimental high electronic conductivities, which limit its application as a Mg‐conducting solid electrolyte. Two methods were attempted to lower electronic conductivities, including the implementation of Se‐rich phases and aliovalent doping, however, with no sufficient improvement. Based on the mixed conducting properties of MgSc2Se4, a reversible insertion/extraction of Mg2+ into the spinel structure could be demonstrated.
The role of peer victimization, sexual identity, and gender on unhealthy weight control behaviors in a representative sample of Texas youth
Authors: Pistella Jessica , Ioverno Salvatore , Russell Stephen T. 
Published: February 2019

AbstractObjectiveThe aim of the study is to examine the association between victimization and unhealthy weight control behaviors (UWCB), accounting for other key correlates of UWCB while considering the moderating role of sexual identity and gender.MethodThis study used data from the 2017 Texas Youth Risk Behavior Survey (YRBS), a representative sample of students in grades 9–12 in the U.S. state of Texas, including 2,067 students (1,754 heterosexuals and 313 sexual minorities). We used survey‐weighted logistic regression to examine the association of sexual identity, gender, and victimization (dating violence, cyberbullying, and school bullying) with UWCB, after adjusting for demographic information and indicators of weight, physical activity, and support from adults.ResultsUnhealthy weight control behaviors were associated with older age, being obese, lack of support from adults, low physical activity, and cyberbullying. A significant three‐way interaction between gender, sexual identity and bullying showed that bullying was associated with high levels of UWCB among sexual minority males.DiscussionOur study highlights the role of victimization in health behaviors for stigmatized groups, and the importance of school efforts to implement an equitable and safe learning environment for all students.
Asymmetrical habitat coupling of an aquatic predator—The importance of individual specialization
Authors: Marklund Maria H. K. , Svanbäck Richard , Faulks Leanne , Breed Martin F. , Scharnweber Kristin , Zha Yinghua , Eklöv Peter 
Published: February 2019

AbstractPredators should stabilize food webs because they can move between spatially separate habitats. However, predators adapted to forage on local resources may have a reduced ability to couple habitats. Here, we show clear asymmetry in the ability to couple habitats by Eurasian perch—a common polymorphic predator in European lakes. We sampled perch from two spatially separate habitats—pelagic and littoral zones—in Lake Erken, Sweden. Littoral perch showed stronger individual specialization, but they also used resources from the pelagic zone, indicating their ability to couple habitats. In contrast, pelagic perch showed weaker individual specialization but near complete reliance on pelagic resources, indicating their preference to one habitat. This asymmetry in the habitat coupling ability of perch challenges the expectation that, in general, predators should stabilize spatially separated food webs. Our results suggest that habitat coupling might be constrained by morphological adaptations, which in this case were not related to genetic differentiation but were more likely related to differences in individual specialization.
Transcriptomic changes during caste development through social interactions in the termite Zootermopsis nevadensis
Authors: Yaguchi Hajime , Suzuki Ryutaro , Matsunami Masatoshi , Shigenobu Shuji , Maekawa Kiyoto 
Published: February 2019

AbstractOne of the most striking examples of phenotypic plasticity is the different phenotypes (i.e., castes) within a same nest of social insects. Castes usually derive from a single genotype initially by receiving social cues among individuals during development. Specific gene expression changes may be involved in caste differentiation, and thus, the regulatory mechanism of these changes should be clarified in order to understand social maintenance and evolution. The damp‐wood termite Zootermopsis nevadensis is one of the most important model termite species, due to not only the availability of genomic, transcriptomic, and epigenomic information but also evidence that soldier‐ and worker‐destined individuals can be identified in natural conditions. Given that the nutritional intakes via social interactions are crucial for caste differentiation in this species, there is a possibility that transcriptomic changes are influenced by the nutritional difference among these individuals. Here, whole body RNA‐seq analysis of 3rd‐instar larvae with biological replications and Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses were conducted. We found the drastic expression differences during caste developments between soldier‐ and worker‐destined individuals. The results indicated that there are several key signaling pathways responsible for caste formations, which are involved in developments and social interactions. Particularly, the nutritional sensitive signaling was upregulated in soldier‐destined individuals, while some metabolic pathways were identified in worker‐destined individuals. These bioinformatic data obtained should be utilized to examine the molecular mechanisms of caste determination in social insects.
Worsening renal failure in patients with acute heart failure: the importance of cardiac biomarkers
Authors: Shirakabe Akihiro , Hata Noritake , Kobayashi Nobuaki , Okazaki Hirotake , Matsushita Masato , Shibata Yusaku , Uchiyama Saori , Sawatani Tomofumi , Asai Kuniya , Shimizu Wataru 
Published: February 2019

AbstractAimsThe importance of true worsening renal failure (WRF), which is associated with a poor prognosis, had been suggested in patients with acute heart failure (AHF). The aim of the present study was to establish the biomarker strategy for the prediction of true WRF in AHF.Methods and resultsTwo hundred eighty‐one patients with AHF were analysed. Their biomarkers were measured within 30 min of admission. Patients were assigned to the non‐WRF (n = 168), pseudo‐WRF (n = 56), or true‐WRF (n = 57) groups using the criteria of both acute kidney injury on admission and increasing serum creatinine value during the first 7 days. A Kaplan–Meier curve showed that the survival and heart failure event rate of the true‐WRF group within 1000 days was significantly lower than that of the non‐WRF and pseudo‐WRF groups (P ≤ 0.001). The multivariate Cox regression model also indicated that true WRF was an independent predictor of 1000 day mortality and heart failure events [hazard ratio: 4.315, 95% confidence interval (CI): 2.466–7.550, P ≤ 0.001, and hazard ratio: 2.834, 95% CI: 1.893–4.243, P ≤ 0.001, respectively]. The serum heart‐type fatty acid‐binding protein (s‐HFABP) levels were significantly higher in the true‐WRF group than in the non‐WRF and pseudo‐WRF groups (P ≤ 0.001). The multivariate logistic regression model indicated that the predictive biomarker for the true‐WRF group was the s‐HFABP level (odds ratio: 5.472, 95% CI: 2.729–10.972, P ≤ 0.001). The sensitivity and specificity for indicating the presence of true WRF were 73.7% and 76.8% (area under the curve = 0.831) for s‐HFABP in whole patients, respectively, and 94.7% and 72.7% (area under the curve = 0.904) in non‐chronic kidney disease (CKD) patients, respectively.ConclusionsCardiac biomarkers, especially the s‐HFABP, might predict the development of true WRF in AHF patients. Furthermore, the predictive value was higher in AHF patients without CKD than in those with CKD.
Interferon signature in patients with STAT1 gain‐of‐function mutation is epigenetically determined
Authors: Kaleviste Epp , Saare Mario , Leahy Timothy Ronan , Bondet Vincent , Duffy Darragh , Mogensen Trine H. , Jørgensen Sofie E , Nurm Helke , Ip Winnie , Davies E Graham , Sauer Sascha , Syvänen Ann‐Christine , Milani Lili , Peterson Pärt , Kisand Kai 
Published: February 2019

AbstractSTAT1 gain‐of‐function (GOF) variants lead to defective Th17 cell development and chronic mucocutaneous candidiasis (CMC), but frequently also to autoimmunity. Stimulation of cells with STAT1 inducing cytokines like interferons (IFN) result in hyperphosphorylation and delayed dephosphorylation of GOF STAT1. However, the mechanism how the delayed dephosphorylation exactly causes the increased expression of STAT1‐dependent genes, and how the intracellular signal transduction from cytokine receptors is affected, remains unknown. In this study we show that the circulating levels of IFN‐α were not persistently elevated in STAT1 GOF patients. Nevertheless, the expression of interferon signature genes was evident even in the patient with low or undetectable serum IFN‐α levels. Chromatin immunoprecipitation (ChIP) experiments revealed that the active chromatin mark trimethylation of lysine 4 of histone 3 (H3K4me3), was significantly enriched in areas associated with interferon‐stimulated genes in STAT1 GOF cells in comparison to cells from healthy donors. This suggests that the chromatin binding of GOF STAT1 variant promotes epigenetic changes compatible with higher gene expression and elevated reactivity to type I interferons, and possibly predisposes for interferon‐related autoimmunity. The results also suggest that epigenetic rewiring may be responsible for treatment failure of Janus kinase 1/2 (JAK1/2) inhibitors in certain patients.
Silicon PV module fitting equations based on experimental measurements
Authors: Sabry Ahmad H. , Hasan Wan Z. W. , Sabri Yasameen H. , Ab‐Kadir Mohd Zainal Abidin 
Published: February 2019

AbstractSolar photovoltaic (PV) characteristic curves (P‐V and I‐V) offer the information required to configure the PV system to operate as near to its optimal performance as possible. Measurement‐based modeling can provide an accurate description for this purpose. This work analyzes the PV module performance and develops a mathematical formula under particular weather conditions to accurately express these curves based on a custom neural network (CNN). The study initially presents several standard mathematical model equations, such as polynomial, exponential, and Gaussian models to fit the PV module measurements. The model selection is subjected to the minimum value of an evaluation parameter. To simplify the solution of the symbolic equations for the CNN network, two neurons in the hidden layer with nonlinear activation function and linear for the output layer were selected. The results show the effectiveness of the proposed CNN model equations over other standard fitting models according to the root mean squared error (RMSE) evaluation. This method promises further improved results with multi‐input parameter modeling.