bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design, synthesis and X‐ray structural studies of novel [acetonitrile‐benzyl‐3‐N‐(2, 4 dihydroxyphenylmethylene) hydrazinecarbodithioato‐κ3‐N′, S, O] nickel(ll) complex that potently inhibit cell proliferation through regulation of apoptosis related genes
Authors: Zahan Ronok , Rahi Md. Sifat , Sheikh Md. Chanmiya , Miyatake Ryuta , Zangrando Ennio , Naz Tarannum , Islam Md. Al‐Amin‐Al‐Azadul , Reza Md Abu 
Published: November 2018

Nickel is a fundamental element for healthy life for human and higher animals. For biological importance, its complexation with bioactive ligand is worth to be studied with the aim to understand its function. Using mouse peritoneal cancer model, MTT colorimetric assay and anticancer activity analysis, we examined the role of nickel(ll) complex in growth inhibition of cancer cells. A novel nickel(ll) complex was synthesized and characterized using physico‐chemical and spectroscopic techniques. The study indicated that both the ligand and complex were capable of inhibiting Ehrlich Ascites Carcinoma (EAC) cells growth by 28.21% and 44.52%, respectively, when administered 0.3 mg/kg/day body weight intraperitoneally for five consecutive days in Swiss Webstar mice. Determination the LD50 of the complex (55 mg/kg) allowed adjusting the dose as 2.75 mg/kg and upon administration, inhibition increased to 69.36%. The ligand and complex have shown an inhibitory effect in the range of 4.86%–67.3% and 6.1%‐ 89.37%, respectively, against EAC cells (concentration range of 31.25–500 μg/ml) in RPMI‐1640 medium as determined by MTT colorimetric assay. Apoptotic cell morphological alteration was determined through optical and fluorescence microscopy. Up regulation of P53, Bax, Cas‐8, Cas‐3 and Fas and down regulation of NF‐kB and Bcl‐2 gene expression were observed in the cells treated with the nickel(ll) complex for five consecutive days. In conclusion, the newly synthesized nickel(ll) complex has shown anti‐proliferative activity and can further be optimized to be used as a lead molecule for anticancer drug.
Synthesis, antimicrobial activity and molecular docking of di‐ and triorganotin (IV) complexes with thiosemicarbazide derivatives
Authors: Huedo Claudia , Zani Franca , Mendiola Antonia , Pradhan Sayantan , Sinha Chittaranjan , López‐Torres Elena 
Published: November 2018

Six organotin (IV) complexes with two ligands derived from 2,3‐butanedione and thiosemicarbazide have been synthesized and fully characterized by several spectroscopic techniques, including 119Sn NMR and single crystal X‐ray diffraction. Reactions of the ligand diacetyl‐2‐(thiosemicarbazone)‐3‐(3‐hydroxy‐2‐naphthohydrazone), L1H2, with SnR2Cl2 (R = Me, Bu, Ph) lead to the obtaining of complexes 1–3 with general formula [SnR2L1] (R = Me 1, R = Bu 2, R = Ph 3), in which the ligand is doubly deprotonated and behaves as a N2SO donor, whereas from the reactions of diacetyl‐2‐thiosemicarbazone, HATs, with the same organotin precursors any complex could be isolated. By contrast, reaction of HATs with SnR3Cl induces the ligand cyclization to form a 1,2,4‐triazine‐3‐thione that binds to the metal as a monoanionic donor in a mono or bidentate manner to form compounds 4–6 with formula [SnR3L2] (R = Me 4, R = Bu 5, R = Ph 6). The antimicrobial activity of the ligands and the six complexes was tested towards bacteria and fungi, including clinical isolated strains. The results show that the ligands are devoid of activity, except HATs that displays activity against Bacillus subtilis. Conversely, the complexes exhibit good antimicrobial properties against Gram positive and negative bacteria, yeasts and moulds. The best results are obtained for complexes [SnBu3L2] 5 and [SnPh3L2] 6, indicating that their more lipophilic nature could play an important role in the ease of microbial cell penetration. In some cases, these complexes display similar or higher activity than that of ampicillin and miconazole, used as antibacterial and antifungal positive controls, respectively. Docking study with DHPS protein (S. aureus) has shown that out of six drugs, the compound 6 has the best binding affinity (−8.5 Kcal/mol).
Poly(amic acid) salt‐mediated palladium and platinum nanoparticles as highly active and recyclable catalysts for hydrogenation of nitroarenes in water under ambient conditions
Authors: Li Jun , Wang Yuchen , Jin Xin , Wang Ya , Li Hengfeng 
Published: November 2018

Development of highly active and recyclable catalysts for selective hydrogenation of nitroarenes to amines in water at room temperature is always a challenge in chemical industry. This study reports a facile in situ method for synthesis of ultrafine palladium and platinum nanoparticles (NPs) stabilized by poly (amic acid) salt (PAAS) and their potential as catalysts for hydrogenation of nitroarenes with sodium borohydride or molecular hydrogen as reductant in water at room temperature. In the reduction of 4‐nitrophenol to 4‐aminophenol by sodium borohydride, the activity parameters of PdNPs–PAAS and PtNPs–PAAS catalyst is 6.66 × 103 and 5.58 × 103 s−1 M−1 respectively. In the hydrogenation of diverse nitroarenes under atmospheric hydrogen pressure, PdNPs–PAAS shows high activity but poor selectivity toward desired amines in some cases, while PtNPs–PAAS shows both high activity and high selectivity for selective hydrogenation of nitroarenes to corresponding anilines. The high efficiency of nanocatalyst is due to the quasi‐homogeneous dispersion of metal NPs and synergistic effects between metal NPs and PAAS. In addition, nanocatalyst can be easily recovered with pH‐sensibility of PAAS and reused at least six times without significant loss of catalytic activities.
Effect of carbon nanotubes decorated with silver nanoparticles as hybrid filler on properties of natural rubber nanocomposites
Authors: Krainoi Apinya , Kummerlöwe Claudia , Vennemann Norbert , Nakaramontri Yeampon , Pichaiyut Skulrat , Nakason Charoen 
Published: November 2018

ABSTRACTDecoration of carbon nanotube (CNT) surfaces with silver nanoparticles (AgNPs) was performed using N,N‐dimethylformamide reducing agent. The CNT‐decorated with AgNP (CNT‐AgNP) was then used to prepare natural rubber (NR) nanocomposites via latex mixing method. Cure characteristics, mechano‐thermal relaxation, electrical conductivity, and thermal properties of the composites were investigated. It was found that the CNT‐AgNP gave cure properties improved over plain NR compounds in terms of scorch time, degree of vulcanization, and activation energy. In addition, temperature scanning stress relaxation measurement revealed stronger network formation after incorporation of AgNP into the NR matrix due to the interaction among CNT and AgNP particles. This also provided high conductivity and low percolation threshold concentration for the CNT‐AgNP filled NR, relative to plain CNT filled NR composites. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47281.
Comprehensive Longitudinal Surveillance of the IgG Autoantibody Repertoire in Established Systemic Lupus Erythematosus
Authors: Vordenbäumen Stefan , Brinks Ralph , Hoyer Annika , Fischer‐Betz Rebecca , Pongratz Georg , Lowin Torsten , Zucht Hans‐Dieter , Budde Petra , Bleck Ellen , Schulz‐Knappe Peter , Schneider Matthias 
Published: November 2018

ObjectiveTo investigate the role of epitope spreading in established systemic lupus erythematosus (SLE).MethodsIgG autoantibody reactivity with 398 distinct recombinant proteins was measured over a period of 6 years in 69 SLE patients and compared to that in 45 controls. Changes in mean fluorescence intensity (MFI), number of autoantibodies to distinct antigens, and reactivity with distinct clones of established antigenic targets (e.g., U1 RNP, Sm, and ribosomal P) representing epitope fine mapping were assessed. Linear mixed modeling, adjusted with Bonferroni correction for age and sex, was applied.ResultsThe total number of autoantibodies, mean MFI, and number of autoantibodies in epitope fine mapping were higher in SLE patients compared to controls (P < 0.0001). The total number of antibodies to distinct autoantigens remained stable over time, while the mean MFI decreased over time in SLE (P < 0.021). SLE patients showed variable recognition of epitopes in fine mapping over time. In particular, in SLE patients, more clones of the U1 RNP complex were recognized at the time of new organ involvement (+0.65) (P = 0.007). Mean MFI was higher in patients with lupus nephritis (P = 0.047). The time‐averaged MFIs of 22 individual autoantibodies (including double‐stranded DNA [dsDNA]) were higher, after Bonferroni correction, in SLE (P < 0.0001). The MFIs of dsDNA and histone cluster 2 H3c were associated with scores on the Systemic Lupus Activity Measure (P < 0.0001).ConclusionLongitudinal surveillance of the IgG autoantibody repertoire in established SLE reveals evidence of sustained breadth of autoantibody repertoire without significant expansion. Associations of disease activity with dsDNA and with histone H3 autoantibodies were confirmed.
Discovery of a Prenylated Flavonol Derivative as a Pin1 Inhibitor to Suppress Hepatocellular Carcinoma by Modulating MicroRNA Biogenesis
Authors: Zheng Yuanyuan , Pu Wenchen , Li Jiao , Shen Xianyan , Zhou Qiang , Fan Xin , Yang Sheng‐Yong , Yu Yamei , Chen Qiang , Wang Chun , Wu Xin , Peng Yong 
Published: November 2018

AbstractPeptidyl‐prolyl cis‐trans isomerase Pin1 plays a crucial role in the development of human cancers. Recently, we have disclosed that Pin1 regulates the biogenesis of miRNA, which is aberrantly expressed in HCC and promotes HCC progression, indicating the therapeutic role of Pin1 in HCC therapy. Here, 7‐(benzyloxy)‐3,5‐dihydroxy‐2‐(4‐methoxyphenyl)‐8‐(3‐methylbut‐2‐en‐1‐yl)‐4H‐chromen‐4‐one (AF‐39) was identified as a novel Pin1 inhibitor. Biochemical tests indicate that AF‐39 potently inhibits Pin1 activity with an IC50 values of 1.008 μm, and also displays high selectivity for Pin1 among peptidyl prolyl isomerases. Furthermore, AF‐39 significantly suppresses cell proliferation of HCC cells in a dose‐ and time‐dependent manner. Mechanistically, AF‐39 regulates the subcellular distribution of XPO5 and increases miRNAs biogenesis in HCC cells. This work provides a promising lead compound for HCC treatment, highlighting the therapeutic potential of miRNA‐based therapy against human cancer.
Aggregation‐Induced Delayed Fluorescence Luminogens for Efficient Organic Light‐Emitting Diodes
Authors: Zeng Jiajie , Guo Jingjing , Liu Hao , Lam Jacky W. Y. , Zhao Zujin , Chen Shuming , Tang Ben Zhong 
Published: November 2018

AbstractAggregation‐induced delayed fluorescence (AIDF) can be regarded as a special case of aggregation‐induced emission (AIE). Luminogens with AIDF can simultaneously emit strongly in solid state and fully utilize the singlet and triplet excitons in organic light‐emitting diodes (OLEDs). In this work, two new AIDF luminogens, DMF‐BP‐DMAC and DPF‐BP‐DMAC, with an asymmetric D–A–D′ structure, are designed and synthesized. The characteristics of both luminogens are systematically investigated, including single crystal structures, theoretical calculations, photophysical properties and thermal stabilities. Inspired by their AIDF nature, the green‐emission non‐doped OLEDs based on them are fabricated, which afford good electroluminescence performances, with low turn‐on voltages of 2.8 V, high luminance of 52560 cd m−2, high efficiencies of up to 14.4 %, 42.3 cd A−1 and 30.2 lm W−1, and very small efficiency roll‐off. The results strongly indicate the bright future of non‐doped OLEDs on the basis of robust AIDF luminogens.
Carbon emission and ethanol markets: evidence from Brazil
Authors: Dutta Anupam , Bouri Elie 
Published: November 2018

AbstractThe production of ethanol has increased globally over the last decade. It is mainly produced from corn and sugarcane, so earlier studies mainly investigated the impact of food prices on ethanol prices. Although biofuels have been brought into the energy markets to reduce the volume of carbon emissions, the links between ethanol and carbon emission markets have not been explored sufficiently in the existing literature. This study aimed to extend the literature in this field by using a GARCH‐jump process to examine whether Brazilian ethanol prices are affected by carbon emission prices. Our key findings are threefold. First, carbon emission prices affect Brazilian ethanol prices positively. Rising emission prices would therefore cause an increase in the ethanol price. Second, time‐varying jumps occur in the ethanol price index. Third, the impact of emission prices on the ethanol market is asymmetric, implying that increases and decreases in emission prices would have heterogeneous effects on ethanol price levels. Our findings have important implications for scholars, investors, and policymakers. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Semiparametric transformation models for interval‐censored data in the presence of a cure fraction
Authors: Chen Chyong‐Mei , Shen Pao‐sheng , Huang Wei‐Lun 
Published: November 2018

AbstractMixed case interval‐censored data arise when the event of interest is known only to occur within an interval induced by a sequence of random examination times. Such data are commonly encountered in disease research with longitudinal follow‐up. Furthermore, the medical treatment has progressed over the last decade with an increasing proportion of patients being cured for many types of diseases. Thus, interest has grown in cure models for survival data which hypothesize a certain proportion of subjects in the population are not expected to experience the events of interest. In this article, we consider a two‐component mixture cure model for regression analysis of mixed case interval‐censored data. The first component is a logistic regression model that describes the cure rate, and the second component is a semiparametric transformation model that describes the distribution of event time for the uncured subjects. We propose semiparametric maximum likelihood estimation for the considered model. We develop an EM type algorithm for obtaining the semiparametric maximum likelihood estimators (SPMLE) of regression parameters and establish their consistency, efficiency, and asymptotic normality. Extensive simulation studies indicate that the SPMLE performs satisfactorily in a wide variety of settings. The proposed method is illustrated by the analysis of the hypobaric decompression sickness data from National Aeronautics and Space Administration.
Luteolin‐mediated Kim‐1/NF‐kB/Nrf2 signaling pathways protects sodium fluoride‐induced hypertension and cardiovascular complications
Authors: Oyagbemi Ademola Adetokunbo , Omobowale Temidayo Olutayo , Ola‐Davies Olufunke Eunice , Asenuga Ebunoluwa Racheal , Ajibade Temitayo Olabisi , Adejumobi Olumuyiwa Abiola , Afolabi Jeremiah Moyinoluwa , Ogunpolu Blessing Seun , Falayi Olufunke Olubunmi , Saba Adebowale Bernard , Adedapo Adeolu Alex , Yakubu Momoh Audu 
Published: November 2018

AbstractThe use of sodium fluoride (NaF) as a major ingredient for tooth paste, mouth wash, and mouth rinse has become inevitable in our day‐to‐day life. However, flavonoids such as Luteolin might be of great value in the prevention of toxicity associated with accidental or inevitable ingestion of NaF. In the study, 40 male Wistar albino rats were randomly divided into four groups with 10 rats in a group. Group A was the control group and received normal saline, Group B was exposed to NaF at 300 ppm (300 mg/L) in drinking water daily for a week, Groups C and D were exposed to 300 ppm (300 mg/L) of NaF and coadministered with Luteolin orally daily at a dosage of 100 mg/kg and 200 mg/kg for the same time point. Our results indicated that NaF caused significant increases in systolic blood pressure, diastolic blood pressure, mean arterial pressure, malondialdehyde, protein carbonyl, myeloperoxidase, advanced oxidative protein products, together with significant reductions in glutathione peroxidase, superoxide dismutase, catalase, glutathione reductase, reduced glutathione, and nitric oxide (NO) bioavailability. The electrocardiogram results showed that NaF alone caused significant prolongation of QT and QTc intervals. Immunohistochemistry revealed that NaF caused increase expressions of Kidney injury marker 1 (Kim‐1), nuclear factor kappa bet (NF‐κB), nuclear factor erythroid 2‐related factors 2 (Nrf2), and cardiac troponin I (CTnI). Together, Luteolin coadministration with NaF improved NO bioavailability, reduced high blood pressure, markers of oxidative stress, reversed prolongation of QT and QTc intervals, and lowered the expressions of Kim‐1, NF‐κB, and CTnI. © 2018 BioFactors, 44(6):518–531, 2018
Poly(2‐oxazoline)s terminated with 2,2′‐imino diacetic acid form noncovalent polymer–enzyme conjugates that are highly active in organic solvents
Authors: Hijazi Montasser , Spiekermann Pia , Krumm Christian , Tiller Joerg C. 
Published: November 2018

AbstractA great limitation for the usability of free enzymes in organic solvents is their insolubility in these media. Some surfactants are capable of solubilizing enzymes in such media, but they are hard to remove. Covalent modification of enzymes with polymers has led to polymer–enzyme conjugates (PECs) that are soluble in organic solvents, but the process is quite elaborate. Poly(2‐oxazoline)s (POx) with the end group 2,2′‐imino diacetic acid were shown to form reversible, nano‐sized noncovalent aggregates with enzymes. These PECs give clear solutions in organic solvents. The enzymes lysozyme, horseradish peroxidase (HRP), laccase, α‐chymotrypsin (CT), catalase, and alcohol dehydrogenase could be solubilized in chloroform and toluene at concentrations of up to 2 mg protein/ml. Laccase, HRP, and CT were shown to survive the transfer into the organic medium and back to water in their active form. The distribution coefficient of the proteins between water and the organic solvent was shown to be dependent on the nature of the POx backbone. All three biocatalysts exhibit greatly enhanced activity in the respective organic solvent.
A practical guide to developing virtual and augmented reality exercises for teaching structural biology
Authors: Garcia‐Bonete Maria‐Jose , Jensen Maja , Katona Gergely 
Published: November 2018

AbstractAlthough virtual and augmented reality (VR and AR) techniques have been used extensively in specialized laboratories, only recently did they become affordable, reaching wider consumer markets. With increased availability, it is timely to examine the roles that VR and AR may play in teaching structural biology and in experiencing complex data sets such as macromolecular structures. This guide is suitable for those teachers of structural biology who do not have a deep knowledge of information technologies. This study focuses on three questions: 1) How can teachers of structural biology produce and disseminate VR/AR‐ready educational material with established and user‐friendly software tools?; 2) What are the positive and negative experiences reported by test participants when performing identical learning tasks in the VR and AR environments?; and 3) How do the test participants perceive prerecorded narration during VR/AR exploration? © 2018 International Union of Biochemistry and Molecular Biology, 47(1):16–24, 2018.
Chronic idiopathic axonal polyneuropathy: Prevalence of pain and impact on quality of life
Authors: Zis Panagiotis , Sarrigiannis Ptolemaios G. , Rao Dasappaiah G. , Hewamadduma Channa , Hadjivassiliou Marios 
Published: November 2018

AbstractBackground and AimChronic idiopathic axonal polyneuropathy (CIAP) is a term describing axonal neuropathies of insidious onset, with slow or no progression of the disease over at least 6 months and with no etiology being identified despite appropriate investigations. We aimed to establish the prevalence of pain in patients with CIAP and investigate the impact of pain on quality of life (QoL).MethodsAll consecutive patients with CIAP attending a specialist neuropathy clinic were invited to participate. Pain was assessed via the DN4 questionnaire and the visual analogue scale (VAS). Overall Neuropathy Limitations Scale (ONLS) was used to assess the severity of neuropathy. The SF‐36 questionnaire was used to measure participants’ quality of life.ResultsFifty‐five patients with CIAP were recruited (63.6% male, mean age 73.4 ± 8.7 years). Based on the DN4 questionnaire, peripheral neuropathic pain was present in 33 patients (60.0%). After having adjusted for age, gender and disease severity pain showed significant negative correlations with the energy/fatigue domain of QoL (β = −0.259, p = 0.049), with the emotional well‐being domain (β = −0.368, p = 0.007) and the general health perception domain (β = −0.356, p = 0.007).ConclusionPain is very prevalent in CIAP and is associated with poorer emotional well‐being, worse general health perception, and increased fatigue.
Justice at any cost? The impact of cost–benefit salience on criminal punishment judgments
Authors: Aharoni Eyal , Kleider‐Offutt Heather M. , Brosnan Sarah F. , Watzek Julia 
Published: November 2018

This study investigated the effect of cost–benefit salience on simulated criminal punishment judgments. In two vignette‐based survey experiments, we sought to identify how the salience of decision costs influences laypeople's punishment judgments. In both experiments (N1 = 109; N2 = 398), undergraduate participants made sentencing judgments with and without explicit information about the direct, material costs of incarceration. Using a within‐subjects design, Experiment 1 revealed that increasing the salience of incarceration costs mitigated punishments. However, when costs were not made salient, punishments were no lower than those made when the costs were externalized (i.e., paid by a third party). Experiment 2 showed the same pattern using a between‐subjects design. We conclude that, when laypeople formulate sentencing attitudes without exposure to the costs of the punishment, they are prone to discount those costs, behaving as if punishment is societally cost‐free. However, when cost information is salient, they utilize it, suggesting the operation of a genuine, albeit labile, punishment preference. We discuss the implications of these findings for psychological theories of decision making and for sentencing policy, including the degree of transparency about the relevant costs of incarceration during the decision process.