bluuebunny/crossref_metadata_2025 huggingface dataset:
A single amino acid substitution alters ClpS2 binding specificity
Authors: Bergonzo Christina , Dharmadhikari Kunal , Samuels Emily , Christensen Makenzie , Tullman Jennifer
Published: March 2020

ClpS2 is a small protein under development as a probe for selectively recognizing N‐terminal amino acids of N‐degron peptide fragments. To understand the structural basis of ClpS2 specificity for an N‐terminal amino acid, all atom molecular dynamics (MD) simulations were conducted using the sequence of a bench‐stable mutant of ClpS2, called PROSS. We predicted that a single amino acid leucine to asparagine substitution would switch the specificity of PROSS ClpS2 to an N‐terminal tyrosine over the preferred phenylalanine. Experimental validation of the mutant using a fluorescent yeast‐display assay showed an increase in tyrosine binding over phenylalanine, in support of the proposed hypothesis.
Efficacy and safety of Tripterygium wilfordii Hook. f. for oral lichen planus: Evidence from 18 randomized controlled trials
Authors: Luo Yue , Kuai Le , Chen Jia , Sun Xiaoying , Liu Liu , Luo Ying , Ru Yi , Xing Meng , Ding Xiaojie , Zhou Mi , Li Bin , Li Xin
Published: March 2020

Glycosides from the roots of Tripterygium wilfordii Hook. f. are used for the treatment of oral lichen planus (OLP), a chronic inflammatory disease affecting the oral mucosa. To investigate the effectiveness and safety of Tripterygium glycosides (TGs) for OLP treatment, we conducted a systematic review of 18 randomized controlled trials, comprising 1,339 participants, from international and Chinese databases. We evaluated outcomes of TGs alone or in combination with conventional treatments. In combination with topical glucocorticoids (TGCs), including triamcinolone acetonide and prednisone, the total effectiveness rate (risk ratio [RR], 1.17; 95% confidence interval [CI], 1.09–1.25; p < .00001), symptom score reducing index (mean difference [MD], −2.44; 95% CI, −3.12 to −1.77; p < .0001), and visual analog scale score (MD, −1.61; 95% CI, −2.22 to −1.00; p < .0001) were significantly improved. Patients treated with TGs combined with TGCs experienced lower recurrence rates (RR, 0.37; 95% CI, 0.18–0.76; p = 0.007). The occurrence of adverse events was not significantly different between the TGs groups and controls. The combination of TG and TGCs improved clinical efficacy and reduced recurrence without increasing the risk of adverse events. A high‐quality multicenter clinical study is needed to corroborate these findings.
Dietary citrus and/or its extracts intake contributed to weight control: Evidence from a systematic review and meta‐analysis of 13 randomized clinical trials
Authors: Wang Xinjing , Li Deming , Liu Fang , Cui Yuan , Li Xinli
Published: March 2020

Randomized controlled trials, being published in English and investigating the associations of at least 4 weeks intervention of citrus and/or its extracts on weight loss among adults, were searched from PubMed, Web of Science, Scopus, and Cochrane by June 2019 to conduct a meta‐analysis. Thirteen articles, including 921 participants, were selected and evaluated by modified Jadad scale. Pooled results by the random‐effects model showed that citrus and/or its extracts administration significantly reduced 1.280 kg body weight (95% CI: −1.818 to −0.741, p = 0.000, I2 = 81.4%), 0.322 kg/m2 BMI (95% CI: −0.599 to −0.046, p = 0.022, I2 = 87.0%), 2.185 cm WC (95% CI: −3.804 to −0.566, p = 0.008, I2 = 98.3%), and 2.137 cm HC (95% CI: −3.775 to −0.500, p = 0.011, I2 = 96.2%), respectively, but no significantly decreased effects on WHR and body fat were observed. Subgroup analysis deduced the different effects of study location, intervention duration on body weight associated indices. No publication bias was observed. Our meta‐analysis supported the beneficial effects of citrus and/or its extracts supplement on body weight control, and future well‐designed studies are required to firmly establish the clinical efficacy of citrus and/or its extracts intervention on body weight.
Determination of various constituent elements of polyethylene terephthalate bottles used for beverages in Japan
Authors: Kishi Eri , Ozaki Asako , Ooshima Tomoko , Abe Yutaka , Mutsuga Motoh , Yamaguchi Yukihiko , Yamano Tetsuo
Published: March 2020

Polyethylene terephthalate (PET) bottles are some of the most commonly used containers for beverages. During the manufacturing process of PET resin in Japan, metallic catalysts such as Sb and Ge are widely used, with other metals or metallic compounds also being employed to improve the quality of PET bottles. However, few reports into the contents of such elements exist. Thus, we herein report the concentrations of 34 elements (ie, Li, B, Na, Mg, Al, P, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Rb, Sr, Zr, Mo, Ag, Cd, Sn, Sb, Cs, Ba, W, Pb, and U) in 16 samples of unused virgin PET bottles for beverages. The measurement was performed by inductively coupled plasma optical emission spectrometry (ICP‐OES) and inductively coupled plasma mass spectrometry (ICP‐MS), and these bottles were found to contain five main elements (ie, <0.5‐ to 50‐mg/kg Ge, <1‐ to 26‐mg/kg Ti, <0.1‐ to 279‐mg/kg Sb, <10‐ to 48‐mg/kg P, and <0.5‐ to 53‐mg/kg Co) that were used as polymerisation catalysts, stabilisers, oxidation catalysts, and bluing agents. Furthermore, when these residual element concentrations in 21 commercial mineral‐water PET bottles were determined, there was no significant difference from unused bottles.
Finite element analysis and experimental investigation of beer bottle‐turnover boxes transport unit under random vibration excitation
Authors: Wang Zhi‐Wei , Zhong Lin‐Lin
Published: March 2020

This paper investigates the dynamic response of the transport unit of beer bottle‐turnover boxes under the random vibration excitation by using the experiments and finite element (FE) analysis and provides an analytical method of random vibration for a contact nonlinear transport unit with a jumping body through a case study. The acceleration power spectral density (PSD) of the bottle in a single‐layer transport unit and in a bottom layer of a two‐layer transport unit is unimodal; however, that on a top layer of the two‐layer transport unit is basically bimodal. The acceleration response of the bottle in the bottom layer is mainly controlled by a peak frequency and the corresponding excitation PSD near the peak frequency and that on the top layer by two peak frequencies and the corresponding excitation PSDs. The critical stress is located at the bottom and shoulder for the bottle and in the reinforcement area of the bottom plate or at the side‐stiffening plate for the turnover box. A different shape of an excitation spectrum results in a large difference in stress response. The FE results are basically in agreement with the experiments.
A note on “Monitoring the ratio of two normal variables using variable sampling interval exponentially weighted moving average control charts”
Authors: Nadarajah Saralees , Okorie Idika
Published: March 2020

Considered monitoring of the ratio of two correlated normal random variables based on an approximation. In this note, we derive a closed form expression for the ratio of two correlated normal random variables. We point out that the approximation used in Nguyen et al. does not always perform well.
Two‐Channel Kondo Physics: From Engineered Structures to Quantum Materials Realizations
Authors: Kirchner Stefan
Published: March 2020

The Kondo effect assumes a central role in condensed matter physics. It describes the exchange scattering of electrons with a localized moment and occurs in a wide range of settings from rare earth‐based intermetallics to nanotubes and semiconductor heterostructures. A conceptually simple extension of the model, known as the two‐channel Kondo model, can give rise to singular scattering and the formation of an unconventional metal. Although the observation of the standard Kondo effect has become ubiquitous, its two‐channel counterpart has been proven difficult to realize. This article reviews attempts, challenges, and successes in realizing the two‐channel Kondo effect in artificial structures and real quantum materials.
Finland’s great depression of the 1990s: Lessons about financial reform based on econometric macro evidence
Authors: Ahtiala Pekka , Junttila Juha
Published: March 2020

The paper re‐examines the Finnish Great Depression of the 1990s, based on an open macro model, with specific dummy variables to identify the initial effects of liberalized financial markets and capital mobility, and of the Russian trade collapse. It is shown that the explosive credit expansion resulting from the simultaneous liberalization of the financial markets and international capital movements in 1986 has played the most important role in explaining the uncontrolled growth and the subsequent depression in 1989 in real economic activity in Finland. Their effects were strengthened by a vicious circle between the financial and asset markets. The Russian trade collapse in 1991 had a smaller partial effect on economic activity than did any other explanatory variable. The results suggest that some of the present day problems in the euro area, especially those occurring post‐2008 in the “Club Med” countries, are very alarming. In many cases, they are results of expansionary policies based on unsustainable capital imports, made possible by the introduction of the euro, and the consequences resemble in many ways those during the 1990s Great Depression period in Finland.
Variance estimation for the Kappa statistic in the presence of clustered data and heterogeneous observations
Authors: Ryan Mary M. , Spotnitz William D. , Gillen Daniel L.
Published: March 2020

We present a methodology motivated by a controlled trial designed to validate SPOT GRADE, a novel surgical bleeding severity scale. Briefly, the study was designed to quantify inter‐ and intra‐surgeon agreement for characterizing the severity of surgical bleeds via a Kappa statistic. Multiple surgeons were presented with a randomized sequence of controlled bleeding videos and asked to apply the rating system to characterize each wound. Each video was shown multiple times to quantify intra‐surgeon reliability, creating clustered data. In addition, videos within the same category may have had different classification probabilities due to changes in blood flow rates and wound sizes. In this work, we propose a new variance estimator for the Kappa statistic, for use in clustered data as well as heterogeneity among items within the same classification category. We then apply this methodology to data from the SPOT GRADE trial.
Activated Carbon Derived from Phoenix dactylifera (Palm Tree) and Decorated with MnO2 Nanoparticles for Enhanced Hybrid Capacitive Deionization Electrodes
Authors: Govindan Bharath , Alhseinat Emad , Darawsheh Ismail F. F. , Ismail Issam , Polychronopoulou Kyriaki , Jaoude Maguy Abi , Arangadi Abdul F. , Banat Fawzi
Published: March 2020

In this study, the electro‐sorption capacity and selectivity of activated carbon (AC) electrodes, produced from the leaf base of Phoenix dactylifera (palm tree) waste, are modified by enabling the reversible intercalation/conversion of sodium ions through the presence of nanoscale α‐MnO2 particles acting as redox mediators. The α‐MnO2 nanoparticles (NPs) are hydrothermally grown on the AC powder to obtain a functional composite material (α‐MnO2/f‐AC). The morphological, textural, and physicochemical surface properties of the pristine and modified AC materials are thoroughly examined and correlated with the electrochemical performance of the resulting electrodes that are implemented in an asymmetric capacitive deionization (CDI) cell configuration (i. e. capacitive vs Faradaic electrodes). The pristine biowaste‐derived AC presents a high specific surface area of 1224 m2 g−1, and high electrical capacitance of 259 F g−1 at 10 mV s−1. The α‐MnO2 surface modification approach of the pristine material retains its large accessible surface area, and additionally enables a 50% increase in its specific capacitance value. The incorporation of the α‐MnO2/f‐AC material in the anode and the pristine source in the cathode produces superior electrosorption capacity, as high as 17.8mgg−1 in batch‐mode CDI tests with 600mg L−1 NaCl feed. The enhanced electrical performance and pseudocapacitive behavior of the CDI cell can be explained by the α‐MnO2 nanoparticles playing a critical role in enabling a synergistic redox‐based charge‐discharge pathway under conditions compatible with the voltage operation requirements of the CDI process.
Highly Efficient and Recyclable Fe‐OMS‐2 Catalyst for Enhanced Degradation of Acid Orange 7 in Aqueous Solution
Authors: Huang Yu , Wu You , Wang Yanlan , Meng Xu , Liu Xiang
Published: March 2020

Here Fe‐doped on manganese oxide octahedral molecular sieve (Fe‐OMS‐2) has been successfully synthesized and used as an efficient catalyst for acid orange 7 degradation in the presence of peroxymonosulfate in aqueous solutions. Then Fe‐OMS‐2 has been characterized by inductively coupled plasma optical emission spectrometry, N2 adsorption‐desorption isotherms, transmission electron microscopy, X‐ray diffraction and X‐ray photoelectron spectroscopy. Fe‐OMS‐2 catalyst exhibits higher efficiency for the degradation of acid orange 7 in comparison with OMS‐2. Then various amounts of Fe‐OMS‐2, AO7 concentration and PMS concentration have also been tested for the degradation of acid orange 7. In addition, the catalyst Fe‐OMS‐2 has been successfully reused 5 times without significant decrease in catalytic activity by simple filtration.
Insight on the Impact of the Reduction Step on the Site‐Directed Conjugation of an Anti‐HER2 Cysteine‐Engineered Antibody
Authors: Miret Joan , Camps Marc , Farràs Mercè , Román Ramón , Erb Stéphane , Cianferani Sarah , Casablancas Antoni , Cairó Jordi J.
Published: March 2020

Cysteine‐based conjugation is one of the main antibody conjugation strategies for generating both heterogeneous and homogeneous Antibody Drug Conjugates (ADCs), being the reduction of the antibody a crucial step in these processes. In this work we have analysed the reduction conditions for the site‐directed conjugation of an anti‐HER2 (Human Epidermal Receptor 2) Trastuzumab_cys114 antibody to the cytotoxic drug vcMMAE (valine‐citrulline monomethyl auristatin E), with an aimed average DAR (Drug‐Antibody Ratio) of 2. Initial reduction was found to have a direct impact on the availability of free thiols for the conjugation: increasing of reducing agent concentration (until a molar excess of 50x) in the reduction step resulted in a lower proportion of naked antibody in the final ADC product and allowed us to obtain an ADC close to the DAR of interest. This work shows that reduction conditions must be adjusted in order to obtain the desired homogeneous ADC product.
Design and Ultrasound Assisted Synthesis of Novel 1,3,4‐Oxadiazole Drugs for Anti‐Cancer Activity
Authors: Bhatt Priyanka , Sen Anik , Jha Anjali
Published: March 2020

An ultrasound assisted multi‐component synthesis of a series of 2‐(N‐heterocycle) substituted 1,3,4‐oxadiazoles have been performed. A proper IR, UV, Mass and NMR spectral analysis supported the 12 synthesized novel compounds. Compound 5‐bromo‐1‐((4‐chlorophenyl)((5‐(4‐hydroxyphenyl)‐1,3,4‐oxadiazol‐2‐yl)amino)methyl) indoline‐2,3‐dione (D8), displayed significant cytotoxicity against all the three human cancer cell lines studied in this article (breast cancer cell line MCF‐7, colorectal cancer cell line HT‐29 and liver cancer cell line Hep G2) using MTT assay. Further in silico target hunting using Chem Mapper led to the identification of two important cancer targets; EGFR and CDK2 kinases. Compound D8 was studied in detail using AutoDock and displayed high binding energies with the two proteins. Quantum chemical calculations of the designed compound D8 at the active site with specific amino acids for both the proteins showed stronger interactions at the active sites similar to the docking studies.
Synthesis and Characterization of Ultrapure HKUST‐1 MOFs as Reusable Heterogeneous Catalysts for the Green Synthesis of Tetrazole Derivatives
Authors: Kal‐Koshvandi Afsaneh Taheri , Maleki Ali , Tarlani Aliakbar , Soroush Maral Rahim
Published: March 2020

Herein, an ultrapure HKUST‐1 MOFs synthesized through a precise methodology as a heterogeneous catalyst for a green approach to the synthesis of tetrazole derivatives via two‐, three‐, and four‐component reactions in milder reaction conditions, is presented. Various preparation methods to produce HKUST‐1 such as microwave irradiation, reflux, hydrothermal technique, and ultrasonication have been precisely compared and it has been proven that the best result is obtained during the hydrothermal technique. This is the first design, preparation, characterization, and application in the present of HKUST‐1 MOFs to the synthesis of the biologically and pharmaceutically important tetrazole compounds in green conditions. Moreover, plausible mechanisms of reactions have also been suggested for the catalytic activity of the presented catalyst. The catalyst was characterized by various techniques such as FT‐IR, SEM, EDX, and XRD. Additionally, HKUST‐1 is recoverable as well as reusable without any significant loss of its activity, which strongly supports the heterogeneous nature of the catalyyst. This novel catalysis protocol offers several advantages such as eco‐friendly conditions, lower reaction time, milder reaction conditions, excellent catalytic activity and an easy separation of the catalyst make it a good heterogeneous system.
An Efficient Chemo‐Selective N‐Alkylation Methodology for the Structure Diversification of Indolylbenzimidazoles
Authors: Barasa Leonard , Yong Alison , Yoganathan Sabesan
Published: March 2020

Indolylbenzimidazoles have emerged as an important pharmacophore during drug discovery efforts. More specifically, N‐alkylation of indole and/or benzimidazole motifs has been a useful strategy for structure diversification to generate bioactive leads. Herein, we report a simple and efficient methodology for the chemo‐selective N‐alkylation of indolylbenzimidazole scaffolds. This approach takes advantage of the pKa differences between the indole and benzimidazole nitrogen to achieve the desired chemo‐selectivity. Using the reported method, one can readily access a selection of mono‐N‐alkylated or asymmetrically bis‐alkylated indolylbenzimidazole scaffolds in a simple one‐pot operation. Moreover, this method provides the desired products in excellent yield and demonstrates a broad substrate scope.
Hydrothermal Decomposition of Strongly Acidic Cation‐Exchange Resin to Valuable Compounds Using Subcritical Water in Alkaline Media
Authors: Rezakazemi Mashallah , Tavakoli Omid
Published: March 2020

In this research, hydrothermal technology was used to decompose a strongly acidic Na+ form cation‐exchange resin, DIAION SK1B, containing a crosslinking moiety and a styrene moiety at subcritical water conditions in an alkaline media to obtain decomposed products that can be quickly separated, efficiently collected and recycled. The decomposed materials subjected to a liquid‐solid separation to obtain an aqueous phase containing a salt of a material with an alkali. Two different acids (formic acid and acetic acid) were introduced to the aqueous phase to precipitate the materials and then added to a water‐insoluble solvent to yield materials, to dissolve the precipitated materials into the solvent to obtain a solution containing the materials to be gathered. However, the experiment was performed in a tubular reactor and heated by a salt‐bath. The effects of reaction time, temperature, additives concentration as alkali catalyst and pH of the aqueous solutions on the degradation rate of sulfonated resin were investigated. It was found out that 350°C, 120 min, and 0.05 M NaOH is the optimum condition to attain complete decomposition of this resin. The maximum yield of formic acid in aqueous phase obtained from batch reactor experiments was occurred at optimum conditions. Total organic carbon (TOC) of the aqueous phase reached (38%) to its maximum value at optimum condition. More than 60% of the cation exchange resin was decomposed at optimum condition.
Potential Effect of Surface Modified Nano‐SiO2 with PDDA on the Cement Paste Early Hydration
Authors: Huang Chunlong , Wang Yiren , Zhao Jihui , Wang Dongmin
Published: March 2020

The potential application of surface modified nano‐SiO2 (NS) particles with poly (dimethyl diallyl ammonium chloride) (PDDA) has been reported in other fields, but not in civil construction. This paper aims to assess the influence of surface modified NS with PDDA on the early‐age hydration of cement paste, where cement is replaced by 0.3%, 1% and 3% of NS particle. PDDA can be introduced onto the surface of NS via long‐distance charge pairs. Calorimetric measurements of cement pastes with 0.35 w/b (water/binder) ratio show that NS particles accelerate the cement hydration, while PDDA retards it. Moreover, the cement hydration is controlled by PDDA at lower dosage of NS/PDDA particle, which delays the exothermic peaks of cement hydration, while the cement hydration is controlled by NS particle aggregates at higher dosage of NS/PDDA particle. Based on the results above, the mechanism of the adsorption of NS/PDDA particle on cement particle surfaces is proposed.
Easily Accessible Schiff Base ESIPT Molecules with Tunable Solid State Fluorescence: Mechanofluorochromism and Highly Selective Co2+ Fluorescence Sensing
Authors: Muthukumar Pandi , Surya Muruganantham , Pannipara Mehboobali , Al‐Sehemi Abdullah G. , Moon Dohyun , Philip Anthony Savarimuthu
Published: March 2020

Schiff base molecules of 1–4 ((E)‐N′‐benzylidene‐2‐hydroxybenzohydrazide derivatives) showed structure controlled solid state fluorescence tuning, reversible stimuli induced fluorescence switching and highly selective Co2+ sensing. The strong intramolecular H‐bonding between imine and amine facilitates excited state intramolecular proton transfer (ESIPT) and large red shifted solid state fluorescence. Positional isomers and substitutional change tuned the solid state fluorescence (460 to 605 nm). The substituents and positions control stimuli‐induced fluorescence switching. ESIPT fluorophores showed strong fluorescence in DMF (Φf=0.057 to 0.35 compared to quinine sulphate). ESIPT fluorophores (2–4) exhibited highly selective fluorescence sensing of Co2+ ions without significant interference from other metal ions. Concentration dependent studies of fluorophores show the detection limit (LOD) of 54 nM that is much lower than the Environmental Protection Agency (EPA) guideline value (1.7 μM) in drinking water. Solid state fluorescence of ESIPT fluorophores have been made use to fabricate solid fluorescence assay (PVA polymer composite thin films) and demonstrated highly selective fluorescence sensing of Co2+ upon dipping into aqueous metal ions solution. Thus, the present studies demonstrate the versatility of Schiff base molecules for developing ESIPT fluorophores for stimuli responsive materials and highly selective fluorescence sensing both in solution and solid state.
Graphene Based Copper‐Nickel Bimetal Nanocomposite: Magnetically Separable Catalyst for Reducing Hexavalent Chromium
Authors: Yao Dachuan , Xu Tingting , Yuan Jingjing , Tao Yingrui , He Guangyu , Chen Haiqun
Published: March 2020

Graphene based copper‐nickel bimetal nanocomposite (Cu3Ni2‐rGO) was prepared via a one‐step solvothermal procedure, in which Ni(OH)2 and Cu(OH)2 were used as precursors. Structural characterization confirms that the as‐prepared Cu3Ni2‐rGO nanocomposite is composed of Cu3Ni2 nanoparticles in the size range of 20–100 nm and the reduced graphene oxide (rGO) sheets. Benefiting from the combination of Cu3Ni2 and rGO, the Cu3Ni2‐rGO nanocomposite exhibits excellent catalytic performance on reducing highly toxic Cr(VI) at room temperature. The reduction of Cr(VI) (40 mL, 100 mg L−1) can be completed within 6 min using Cu3Ni2‐rGO nanocomposite as the catalyst, which is much more efficient than using monometallic nanocomposite containing only Cu or Ni. Moreover, Cu3Ni2‐rGO nanocomposite can be magnetically separated, which enables effective recycle. Besides, Cu3Ni2‐rGO shows good cycling stability.
A Dual‐Mode Colorimetric/Fluorescent Sensor Comprising Rhodamine B and Piperazine: Response to Acidic pH Values and Investigation of Recognition Mechanism
Authors: Wu Fang‐hui , Luo Xiang‐rui , Yang Jun‐qing , Ren Mei‐juan , Wei Xian‐wen , Yan Zhengquan
Published: March 2020

A dual‐mode “turn‐on” fluorescent‐colorimetric sensor, 1‐methyl piperazine rhodamine amide (MPRA), has been identified and developed for acidic pH detection in practice. After its structure and photophysical property were characterized and investigated in detail, it was noted to find that nonfluorescent and colorless MPRA would present rose Bengal color and emit strong saffron yellow fluorescence simultaneously with pH decreasing from 7.2 to 1.8 in PBS/acetonitrile (1 : 1, v/v). Under the optimized conditions, MPRA expressed an excellent partitioned and dual‐mode response to pH, i. e., ranging from 1.8 to 3.6 and 3.6 to 7.2 for fluorescent analysis, and 1.8 to 4.0 and 4.0 to 7.2 for colorimetric one with the acidity constant (Ka) of 1.75 obtained from Henderson‐Hasselbach equation. Importantly, the sensing was real‐time and reversible, which was successfully applied for pH detection in real fruit aqueous samples with R.S.D. less than 5.0%. The selective recognition mechanism for MPRA to H+ was confirmed to be the ring‐opened amide form mechanism by 1H NMR and theoretical calculation. MPRA will be a potential dual‐mode sensor for on‐site monitoring pH in acidic environments.
Coaxially Integrating TiO2/MoO3 into Carbon Nanofibers via Electrospinning towards Enhanced Lithium Ion Storage Performance
Authors: Xie Sanmu , Yao Tianhao , Wang Jinkai , Alsulami Hamed , Kutbi Marwan A. , Wang Hongkang
Published: March 2020

Conversion‐type transition metal oxide MoO3 has attracted considerable interest as a promising anode material for lithium ion batteries (LIBs), but it suffers from the low electronic conductivity and the large volume changes upon lithiation/delithiation. To overcome these drawbacks, we herein report the full encapsulation of core‐shelled MoO3‐TiO2 into the carbon nanofibers (CNFs) via a facile coaxial electrospinning followed by a two‐step annealing process. TiO2 shells and MoO3 cores were coaxially integrated into the porous CNFs (denote the composite as TiO2/MoO3@CNFs). The two‐step annealing strategy (carbonization in Ar and then oxidization in air) allows the readily encapsulation of MoO3 into CNFs. When applied as anode materials for LIBs, the coaxial TiO2/MoO3@CNFs demonstrate superior lithium storage performance, delivering a high reversible capacity of 561 mAh/g after 300 cycles at 1000 mA/g with a much higher capacity retention of 70.8% than that of the MoO3@CNFs without TiO2 layers (only 42.3%). The results clearly demonstrate that the CNFs matrices and the TiO2 shells together efficiently enhance the electrode conductivity and buffer the volume changes of MoO3 upon cycling.
Wetting‐Controlled Localized Placement of Surface Functionalities within Nanopores
Authors: Ochs Maria , Mohammadi Reza , Vogel Nicolas , Andrieu‐Brunsen Annette
Published: March 2020

In the context of sensing and transport control, nanopores play an essential role. Designing multifunctional nanopores and placing multiple surface functionalities with nanoscale precision remains challenging. Interface effects together with a combination of different materials are used to obtain local multifunctionalization of nanoscale pores within a model pore system prepared by colloidal templating. Silica inverse colloidal monolayers are first functionalized with a gold layer to create a hybrid porous architecture with two distinct gold nanostructures on the top surface as well as at the pore bottom. Using orthogonal silane‐ and thiol‐based chemistry together with a control of the wetting state allows individual addressing of the different locations within each pore resulting in nanoscale localized functional placement of three different functional units. Ring‐opening metathesis polymerization is used for inner silica‐pore wall functionalization. The hydrophobized pores create a Cassie–Baxter wetting state with aqueous solutions of thiols, which enables an exclusive functionalization of the outer gold structures. In a third step, an ethanolic solution able to wet the pores is used to self‐assemble a thiol‐containing initiator at the pore bottom. Subsequent controlled radical polymerization provides functionalization of the pore bottom. It is demonstrated that the combination of orthogonal surface chemistry and controlled wetting states can be used for the localized functionalization of porous materials.
OPAL: An extensible framework for ontology‐based program analysis
Authors: Pattipati Dileep Kumar , Nasre Rupesh , Puligundla Sreenivasa Kumar
Published: March 2020

The syntactic information of a program can be represented as resource description framework (RDF) triples called program triples. We propose an extensible static analysis framework, called OPAL—Ontology‐based Program AnaLysis. The framework enables formal representation of external knowledge, such as usage knowledge of libraries and domain knowledge. Utilizing this knowledge and the program triples, we compute the semantic information, called static trace of the program. It is generated through path‐sensitive intraprocedural traversal of the program. We approximate information in case of loops by unrolling them a fixed number of times. The main contribution of the framework is to store the static trace as RDF triples called semantic triples. They are described using the Program Analysis ontology proposed in this article. The program triples and the semantic triples are together called consolidated program triples. These triples are stored and used to accelerate the execution of client‐analyses specified by the end user. In the framework, a client‐analysis is specified by a set of conjunctive expressions that use SPARQL (W3C RDF query language) queries. The framework is effective for the client‐analyses that warrant sound and approximate information. The effectiveness is assessed first, using two source‐code‐analyses that require only the program triples, and then 10 intraprocedural path‐sensitive analyses that require the consolidated program triples. Using NPB and SPEC 2006 benchmarks, we achieve an improvement in the conciseness of analysis specifications. Also, the execution time using OPAL is competitive to LLVM's clang for individual analysis and outperforms clang over a series of analyses because of the reuse of consolidated program triples.
EuIrIn4 with LaCoAl4 Type Structure – Synthesis, Magnetic Properties, and 151Eu Mössbauer Spectroscopy
Authors: Klenner Steffen , Bönnighausen Judith , Pöttgen Rainer
Published: March 2020

LaCoAl4 type EuIrIn4 was synthesized by induction‐melting of the elements in a sealed tantalum ampoule, followed by annealing of the sample in a high‐frequency or in a muffle furnace. The EuIrIn4 structure was refined from single‐crystal X‐ray diffraction data: Pmma, a = 860.65(3), b = 430.33(6), c = 757.65(7) pm, wR = 0.0748, 633 F2 values and 24 variables. The striking building units are iridium‐centered trigonal prisms of indium atoms, distorted bcc indium cubes and a pentagonal prismatic indium coordination of the europium atoms. Within the three‐dimensional [IrIn4]2– polyanionic network the Ir–In and In–In distances range from 260–288 pm and 306–332 pm, respectively. The divalent ground state of europium was manifested through magnetic [7.96(1) μB / Eu atom, TN = 7.9(1) K] and 151Eu Mössbauer spectroscopic data [δ = –10.54(2) mm·s–1; Bhf = 19.1(1) T at 6 K].
New trends in single-molecule bioanalytical detection
Authors: Macchia Eleonora , Manoli Kyriaki , Di Franco Cincia , Scamarcio Gaetano , Torsi Luisa
Published: March 2020

Single-molecule sensing is becoming a major driver in biomarker assays as it is foreseen to enable precision medicine to enter into everyday clinical practice. However, among the single-molecule detection methods proposed so far, only a few are fully exploitable for the ultrasensitive label-free assay of biofluids. Firstly introduced single-molecule sensing platforms encompass low-background-noise fluorescent microscopy as well as plasmonic and electrical nanotransducers; these are generally able to sense at the nanomolar concentration level or higher. Label-based single-molecule technologies relying on optical transduction and microbeads that can scavenge and detect a few biomarkers in the bulk of real biofluids, reaching ultralow detection limits, have been recently commercialized. These assays, thanks to the extremely high sensitivity and convenient handling, are new trends in the field as they are paving the way to a revolution in early diagnostics. Very recently, another new trend is the label-free, organic bioelectronic electrolyte-gated large transistors that can potentially be produced by means of large-area low-cost technologies and have been proven capable to detect a protein at the physical limit in real bovine serum. This article offers a bird’s-eye view on some of the more significant single-molecule bioanalytical technologies and highlights their sensing principles and figures-of-merit such as limit of detection, need for a labelling step, and possibility to operate, also as an array, directly in real biofluids. We also discuss the new trend towards single-molecule proof-of-principle extremely sensitive technologies that can detect a protein at the zeptomolar concentration level involving label-free devices that potentially offer low-cost production and easy scalability.
Peroneal tendon dislocation in talus fracture and diagnostic value of fleck sign
Authors: Attia Ahmed Khalil , Mahmoud Karim , Taha Tarek , AlDahamsheh Osama , ElHessy Ahmed Hany , AlObaidi Ahmad S. , Mekhaimar Mohammed M.
Published: March 2020

Introduction

Talus fractures are not uncommon and one of the serious fractures in the foot and ankle. Peroneal tendon dislocation is one of the commonly missed soft tissue injuries which may have significant impact on the outcomes including persistent pain and swelling. They have been reported to be associated with calcaneum as well as talus fractures.

Aim

To report the incidence of peroneal tendon dislocation in talus fracture and the significance of fleck sign in the diagnosis of peroneal tendon dislocation.

Methods

We retrospectively reviewed 93 consecutive talus fractures in the period between 1/1/2011 to 1/11/2018. Inclusion criteria were: The patient underwent open reduction and internal fixation, had pre-operative CT scan that is available for review and three view ankle plain radiographs. Two independent authors review the radiographs for peroneal tendon dislocation, fleck sign and fracture classification, if any. Any dispute was resolved by the senior author.Patient records were reviewed for laterality, age, sex,mode of injury, associated injuries and operative interventions. 50 ankles met the inclusion criteria. 49 were males, mean age was 32.5 year and the predominant mode of injury was a fall from height.

Results

Peroneal tendon dislocation was found in ten patients out of 50 (20%). Risk of dislocation increased with severity of the fracture and neck fractures. Most of the dislocations were missed by surgeons and radiologist, and no additional procedures were done to address such an injury. The Fleck sign had a statistically significant correlation with peroneal tendons dislocations (p=.005)

Conclusion

Peroneal tendons dislocation is associated with as high as 20% of talus fractures. The authors recommend carefully reviewing CT scans by surgeons and radiologists alike to avoid missing such injury and allow for appropriate surgical approach utilization. The Fleck sign is a highly specific radiographic sign that has a statistically significant correlation with PT dislocation and hence we recommend intra-operative assessment of peroneal tendons in patients with the fleck sign.
Krankenhausaufenthalte von Pflegeheimbewohnern in der letzten Lebensphase: eine Analyse von Krankenkassenroutinedaten
Authors: Hoffmann Falk , Allers Katharina
Published: March 2020

Hintergrund

Im internationalen Vergleich versterben Pflegeheimbewohner in Deutschland häufig im Krankenhaus. Daten zu längeren Zeiträumen vor dem Tod und zu regionalen Unterschieden fehlen.

Ziel der Arbeit

Es werden Häufigkeiten von Krankenhausaufenthalten bei Pflegeheimbewohnern in verschiedenen Perioden vor dem Tod analysiert. Zudem werden Unterschiede nach Alter, Geschlecht, Pflegestufe, Demenz und Bundesländern untersucht.

Material und Methoden

Wir verwendeten Daten einer großen Krankenkasse und schlossen Pflegeheimbewohner im Mindestalter von 65 Jahren ein, die zwischen dem 01.01.2010 und dem 31. 12.2014 verstarben. Outcome war mindestens ein Krankenhausaufenthalt nach Heimeintritt in verschiedenen Phasen des letzten Lebensjahres. Vertiefende Analysen wurden für die Zeiträume 0 (entspricht Versterben im Krankenhaus), 28 und 365 Tage vor Tod durchgeführt.

Ergebnisse

Von den insgesamt 67.328 verstorbenen Bewohnern (mittleres Alter: 85,3 Jahre; 69,8 % weiblich), verstarben 29,5 % im Krankenhaus. In den letzten 28 bzw. 365 Tagen vor Tod hatten 51,5 % bzw. 74,3 % mindestens einen Krankenhausaufenthalt. Diese Werte waren in ostdeutschen Bundesländern höher. In allen Zeiträumen wurden Männer häufiger hospitalisiert. Bewohner mit höherer Pflegestufe wurden seltener stationär behandelt, besonders unmittelbar vor dem Tod. Demenz hatte keinen nennenswerten Einfluss auf die Hospitalisierungshäufigkeiten.

Diskussion

Etwa die Hälfte der Pflegeheimbewohner wird im letzten Lebensmonat stationär behandelt, und ein Drittel verstirbt im Krankenhaus, was, international betrachtet, hoch ist. Dass wir keine Unterschiede bei Bewohnern mit und ohne Demenz fanden, widerspricht ebenso internationalen Befunden. Somit besteht erheblicher Handlungsbedarf, die palliative Versorgung von Pflegeheimbewohnern zu optimieren.
Adverse events of nucleos(t)ide analogues for chronic hepatitis B: a systematic review
Authors: de Fraga Raquel Scherer , Van Vaisberg Victor , Mendes Luiz Cláudio Alfaia , Carrilho Flair José , Ono Suzane Kioko
Published: March 2020

Nucleos(t)ide analogues (NAs) are the main drug category used in chronic hepatitis B (CHB) treatment. Despite the fact that NAs have a favourable safety profile, undesired adverse events (AEs) may occur during the treatment of CHB. Given the eminent number of patients currently receiving NAs, even a small risk of any of these toxicities can represent a major medical issue. The main objective of this review was to analyse information available on AEs associated with the use of NAs in published studies. We choose the following MesH terms for this systematic review: chronic hepatitis B, side effects and treatment. All articles published from 1 January 1990 up to 19 February 2018 in MEDLINE of PubMed, EMBASE, the Cochrane Library and LILACS databases were searched. A total of 120 articles were selected for analysis, comprising 6419 patients treated with lamivudine (LAM), 5947 with entecavir (ETV), 3566 with tenofovir disoproxil fumarate (TDF), 3096 with telbivudine (LdT), 1178 with adefovir dipivoxil (ADV) and 876 with tenofovir alafenamide (TAF). The most common AEs in all NAs assessed were abdominal pain/discomfort, nasopharyngitis/upper respiratory tract infections, fatigue, and headache. TAF displays the highest density of AEs per patient treated among NAs (1.14 AE/treated patient). In conclusion, treatment of CHB with NAs is safe, with a low incidence of AEs. Despite the general understanding TAF being safer than TDF, the number of patients treated with TAF still is too small in comparison to other NAs to consolidate an accurate safety profile. PROSPERO Registration No. CRD42018086471
Climatic effects on water quality in areas with acid sulfate soils with commensurable consequences on the reproduction of burbot (Lota lota L.)
Authors: Toivonen Janne , Hudd Richard , Nystrand Miriam , Österholm Peter
Published: March 2020

Due to discharge from acid sulfate (a.s.) soils, watercourses and coastal areas in the Gulf of Bothnia are periodically heavily acidified with high concentrations of potentially toxic metals. Data on water quality from 2005 to 2014 in an embanked lake, an estuary of four rivers in western Finland, showed repeated events with acidic water (pH < 5.5) with high concentrations of Al. Size fractionation and species modeling of Al showed that a significant part of the Al occurred as highly toxic small-size fractions (dissolved < 1 kDa and colloidal 1 kDa—0.45 µm) as free ions and complexed to sulfate. The larval abundance of the burbot (Lota lotaL.) was shown to be sensitive to acidity during the wintertime spawning migration and spawning. Bearing in mind the importance of estuaries of the northern Baltic Sea as spawning and nursery areas of fish, the reoccurring failure in the reproduction of fish may cause a more serious threat for the lake and adjacent coastal fish stocks than the spectacular, but less frequent, mass kills of adult fish. This demonstrates the close relationship between climate, hydrology, water geochemistry and the aquatic coastal ecosystem in areas affected by a.s. soils. As the current forecast of climate chance indicates warmer winters with more continuous runoff, the effects can become even more prominent. This study also shows that the annual larvae abundance of burbot may be used as a bioindicator and an instrument for the fisheries for obtaining more comprehensive knowledge of the ecological effects of acidic metal discharge from a.s. soils.
Quantification of Delaminations in Semitransparent Solids Using Pulsed Thermography and Mathematical 1D Models
Authors: Bernegger R. , Altenburg S. J. , Maierhofer C.
Published: March 2020

Material defects in fiber-reinforced polymers such as delaminations can rapidly degrade the material properties or can lead to the failure of a component. Pulse thermography (PT) has proven to be a valuable tool to identify and quantify such defects in opaque materials. However, quantification of delaminations within semitransparent materials is extremely challenging. We present an approach to quantify delaminations within materials being semitransparent within the wavelength ranges of the optical excitation sources as well as of the infrared (IR) camera. PT experimental data of a glass fiber-reinforced polymer with a real delamination within the material were reconstructed by one-dimensional (1D) mathematical models. These models describe the heat diffusion within the material and consider semitransparency to the excitation source as well to the IR camera, thermal losses at the samples surfaces and a thermal contact resistance between the two layers describing the delamination. By fitting the models to the PT data, we were able to determine the depth of the delamination very accurately. Additionally, we analyzed synthetic PT data from a 2D simulation with our 1D-models to show how the thermal contact resistance is influenced by lateral heat flow within the material.
Same-Sex Couples’ Shared Time in the United States
Authors: Genadek Katie R. , Flood Sarah M. , Roman Joan Garcia
Published: March 2020

This study examines and compares shared time for same-sex and different-sex coresident couples using large, nationally representative data from the 2003–2016 American Time Use Survey (ATUS). We compare the total time that same-sex couples and different-sex couples spend together; for parents, the time they spend together with children; and for both parents and nonparents, the time they spend together with no one else present and the time they spend with others (excluding children). After we control for demographic and socioeconomic characteristics of the couples, women in same-sex couples spend more time together, both alone and in total, than individuals in different-sex arrangements and men in same-sex couples, regardless of parenthood status. Women in same-sex relationships also spend a larger percentage of their total available time together than other couples, and the difference in time is not limited to any specific activity.
Mediation Analysis of the Relationships between God Locus of Control and Health Behaviors in College Students
Authors: Boyd Joni M. , Wilcox Sara
Published: March 2020

The aim of this research was to examine whether self-efficacy, social support, congregational social support, or divine support mediate the relationship between college students’ religious/spiritual health locus of control and health behaviors of physical activity, fruit and vegetable intake, and dietary fat intake. Participants included 838 college students at two public universities in the southeastern United States that completed online surveys of God locus of health control, physical activity, fruit and vegetable intake, and dietary fat and self-efficacy, social support, congregational social support, and divine support. Mediation was tested with product of coefficients approach. Results showed that congregational social support mediated the relationship between God locus of health control and physical activity. There was no evidence of mediation for any of the other health behaviors or mediators. Individuals that utilize God as a health source for locus of control have higher perceived religious social coping and support, which relates to their physical activity behaviors. Implications are for health and fitness practitioners within settings that incorporate faith, congregations, and social interaction.
Bacterial degradation of coal discard and geologically weathered coal
Authors: Olawale Jacob Taiwo , Edeki Oghenekume Gerald , Cowan Ashton Keith
Published: March 2020

The biodegradation of coal discard is being intensively studied in South Africa in an effort to develop passive methods for the successful revegetation and rehabilitation of waste dumps, to mitigate pollution, and facilitate mine closure. Bacteria were isolated from slurries of coal tailings and diesel-contaminated soil, screened for coal biodegradation competence, characterized, and the colonization and degradation of coal discard and geologically weathered coal investigated using individual isolates and consortia. Ten novel coal-degrading bacterial strains were isolated and characterized, the gene sequences deposited with GenBank, and the (wild-type) strains deposited at Microbial Culture Collection, India. The results from the present work show that bituminous coal discard and geologically weathered coal is used by these isolates as carbon and energy source. Isolated strains and consortia colonized and degraded both coal substrates. Growth rate of the isolates is faster and stationery phase achieved sooner in minimal medium containing geologically weathered coal. This observation suggests that the oxygen-rich weathered coal is a more friable substrate and thus readily colonised and biodegraded. A reduction in mass of substrate is demonstrated for both individual isolates and consortia. The changes in pH and associated media colouration occurred concomitant with formation of humic acid-like (HS) and fulvic acid-like substances (FS) which is confirmed following analysis of these products by FT-IR spectroscopy. It is concluded that preferential metabolism of alkanes from the coal substrates provided the carbon and energy for bacterial growth and transformation of the substrates to HS and FS.