bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetics of two redox reactions in 2‐butoxyethanol and water near its critical point of solution
Authors: Du Zhongyu , Duan Siyu , Ma Mingfang , Xu Xiangyu , Li Zhenquan , Kong Lingdong , Liu Jun 
Published: January 2019

AbstractThe rate constants of two redox reactions and in the critical solution of 2‐butoxyethanol and water have been measured by using the UV spectrophotometry at the initial reaction stage. It was found that the rate constants at various temperatures for two reactions were well described by the Arrhenius equation in the noncritical region. The critical slowing down effect was detected in the critical region. The critical slowing down exponents were determined to be 0.044 ± 0.004 and 0.046 ± 0.005 for reactions and , respectively. The values of the critical slowing down exponents showed that only dynamic critical slowing down effect, and no thermodynamic singularity could be observed for the two reactions.
Interaction of germline variants in a family with a history of early‐onset clear cell renal cell carcinoma
Authors: Nicolas Emmanuelle , Demidova Elena V. , Iqbal Waleed , Serebriiskii Ilya G. , Vlasenkova Ramilia , Ghatalia Pooja , Zhou Yan , Rainey Kim , Forman Andrea F. , Dunbrack Roland L. , Golemis Erica A. , Hall Michael J. , Daly Mary B. , Arora Sanjeevani 
Published: January 2019

AbstractBackgroundIdentification of genetic factors causing predisposition to renal cell carcinoma has helped improve screening, early detection, and patient survival.MethodsWe report the characterization of a proband with renal and thyroid cancers and a family history of renal and other cancers by whole‐exome sequencing (WES), coupled with WES analysis of germline DNA from additional affected and unaffected family members.ResultsThis work identified multiple predicted protein‐damaging variants relevant to the pattern of inherited cancer risk. Among these, the proband and an affected brother each had a heterozygous Ala45Thr variant in SDHA, a component of the succinate dehydrogenase (SDH) complex. SDH defects are associated with mitochondrial disorders and risk for various cancers; immunochemical analysis indicated loss of SDHB protein expression in the patient’s tumor, compatible with SDH deficiency. Integrated analysis of public databases and structural predictions indicated that the two affected individuals also had additional variants in genes including TGFB2, TRAP1, PARP1, and EGF, each potentially relevant to cancer risk alone or in conjunction with the SDHA variant. In addition, allelic imbalances of PARP1 and TGFB2 were detected in the tumor of the proband.ConclusionTogether, these data suggest the possibility of risk associated with interaction of two or more variants.
Functional Interactions between Gut Microbiota Transplantation, Quercetin, and High‐Fat Diet Determine Non‐Alcoholic Fatty Liver Disease Development in Germ‐Free Mice
Authors: Porras David , Nistal Esther , Martínez‐Flórez Susana , Olcoz José Luis , Jover Ramiro , Jorquera Francisco , González‐Gallego Javier , García‐Mediavilla María Victoria , Sánchez‐Campos Sonia 
Published: January 2019

ScopeModulation of intestinal microbiota has emerged as a new therapeutic approach for non‐alcoholic fatty liver disease (NAFLD). Herein, it is addressed whether gut microbiota modulation by quercetin and intestinal microbiota transplantation can influence NAFLD development.Methods and resultsGut microbiota donor mice are selected according to their response to high‐fat diet (HFD) and quercetin in terms of obesity and NAFLD‐related biomarkers. Germ‐free recipients displayed metabolic phenotypic differences derived from interactions between microbiota transplanted, diets, and quercetin. Based on the evaluation of hallmark characteristics of NAFLD, it is found that gut microbiota transplantation from the HFD‐non‐responder donor and the HFD‐fed donor with the highest response to quercetin results in a protective phenotype against HFD‐induced NAFLD, in a mechanism that involves gut–liver axis alteration blockage in these receivers. Gut microbiota from the HFD‐responder donor predisposed transplanted germ‐free mice to NAFLD. Divergent protective and deleterious metabolic phenotypes exhibited are related to definite microbial profiles in recipients, highlighting the predominant role of Akkermansia genus in the protection from obesity‐associated NAFLD development.ConclusionsThe results provide scientific support for the prebiotic capacity of quercetin and the transfer of established metabolic profiles through gut microbiota transplantation as a protective strategy against the development of obesity‐related NAFLD.
A Series of Analogues to the AT2R Prototype Antagonist C38 Allow Fine Tuning of the Previously Reported Antagonist Binding Mode
Authors: Isaksson Rebecka , Lindman Jens , Wannberg Johan , Sallander Jessica , Backlund Maria , Baraldi Dhaniel , Widdop Robert , Hallberg Mathias , Åqvist Johan , Gutierrez de Teran Hugo , Gising Johan , Larhed Mats 
Published: January 2019

AbstractWe here report on our continued studies of ligands binding to the promising drug target angiotensin II type 2 receptor (AT2R). Two series of compounds were synthesized and investigated. The first series explored the effects of adding small substituents to the phenyl ring of the known selective nonpeptide AT2R antagonist C38, generating small but significant shifts in AT2R affinity. One compound in the first series was equipotent to C38 and showed similar kinetic solubility, and stability in both human and mouse liver microsomes. The second series was comprised of new bicyclic derivatives, amongst which one ligand exhibited a five‐fold improved affinity to AT2R as compared to C38. The majority of the compounds in the second series, including the most potent ligand, were inferior to C38 with regard to stability in both human and mouse microsomes. In contrast to our previously reported findings, ligands with shorter carbamate alkyl chains only demonstrated slightly improved stability in microsomes. Based on data presented herein, a more adequate, tentative model of the binding modes of ligand analogues to the prototype AT2R antagonist C38 is proposed, as deduced from docking redefined by molecular dynamic simulations.
Electronic circular dichroism and nuclear magnetic resonance studies of peptides derived from the FKBP52‐interacting β‐turn of the hERα ligand‐binding domain
Authors: Byrne Cillian , Belnou Mathilde , Baulieu Etienne‐Emile , Lequin Olivier , Jacquot Yves 
Published: January 2019

AbstractWhen located at the surface of proteins, turns containing a Pro‐Gly (PG) motif are often involved in protein/protein interactions and may participate in intracellular signaling cascades. As such, conformationally constrained short protein‐derived turn peptides offer promising perspectives for the development of drug candidates in the context of interfering with protein/protein interactions. From X‐ray crystal structures of the human estrogen receptor α ligand‐binding domain (hERα‐LBD), we have identified a short peptide motif (residues 363‐367, sequence: RVPGF) that adopts a type II β‐turn and which is a substrate of the FK1 peptidyl‐prolyl cis‐trans isomerase (PPIase or rotamase) catalytic site of the immunophilin FKBP52, when synthesized independently from the protein. Using ECD and NMR spectroscopy in combination with molecular dynamics simulations, we have embarked on a conformational study of peptides derived from this sequence, and we have explored the effects resulting from N‐ and C‐termini chemical modifications, cyclization, as well as from the replacement of both the proline and its preceding residue by various natural and non‐natural amino acids. All peptides are found to explore several conformational states in aqueous solution, differing by the conformation of the peptide bond preceding the proline residue of the central VPG segment. Trans isomers are characterized by a conformational equilibrium between a type II β‐turn around PG and an extended conformation, while cis isomers adopt a type VIb β‐turn centered on the Xaa‐Pro segment. We show here how limited chemical modifications can deeply influence the turn conformation of this FKBP52‐interacting peptide.
Effects of different odours on the reproductive success of Mus musculus as an alternative method of control
Authors: Adduci Luciana B , León Vanina A , Busch María , Fraschina Jimena 
Published: January 2019

AbstractBACKGROUNDThe house mouse (Mus musculus) is a cosmopolitan rodent that has become adapted to living in close association with humans and is considered a serious pest because it poses a risk to human health, and causes economic losses due to food and crop consumption and damage to buildings. Its control in livestock farms is achieved mainly through the application of anticoagulant rodenticides, but the effect of these compounds is limited due to the presence of resistant individuals and aversive behaviours. A potential alternative method is the use of chemical signals to reduce rodent reproductive success. In this study, we assessed the effects of odours from an unfamiliar male, 17β‐oestradiol, overcrowding, cat urine and 2,5‐dihydro‐2,4,5‐trimethylthiazoline (TMT) on the reproductive success of laboratory Mus musculus females.RESULTSAccording to the generalized linear mixed models, cat urine odour increased the proportion of abortions per female, unfamiliar male odour decreased the mean number of offspring born per female, and TMT had an overall negative effect on mean offspring production at birth and at weaning. The other odours had no significant effects on reproductive success.CONCLUSIONSTMT seems to be the best candidate for population control because it caused a decrease in the mean number of offspring born and the mean number of live offspring at weaning. TMT also has the advantage of being available in commercial forms. To be useful for rodent management in field conditions, these results should be confirmed using wild house mice females. © 2019 Society of Chemical Industry
Spatiotemporal dynamics of fungicide resistance in the wheat pathogen Zymoseptoria tritici in France
Authors: Garnault Maxime , Duplaix Clémentine , Leroux Pierre , Couleaud Gilles , Carpentier Florence , David Olivier , Walker Anne‐Sophie 
Published: January 2019

AbstractBACKGROUNDManagement of pesticide resistance is a major issue in modern agricultural systems, particularly in the context of the broader challenge of reducing pesticide use. However, such management must be adapted to resistance dynamics, which remains challenging to predict due to its dependence on many biological traits of pests, interactions with the environment and pesticide use. We retrospectively studied the evolution of reported resistances to four modes of action (benzimidazoles, quinone outside inhibitors, sterol demethylation inhibitors and succinate dehydrogenase inhibitors), in French populations of the wheat pathogen Zymoseptoria tritici.RESULTSWe used statistical models to analyse the Performance trial network data set (2004–2017; ∼ 70 locations in France yearly). They highlighted contrasting behaviours between phenotypes, for example: (i) stable spatial distributions and colonization front structures over time, and (ii) different frequency growth rates at the national scale and between regions.CONCLUSIONWe provide a quantitative description of the spatiotemporal patterns of resistance evolution for fungicides with several modes of action. Moreover, we highlight some unexpected resistance dynamics in France, with major differences between the north and south. This complex pattern of resistance evolution in French populations is consistent with previous descriptions of dynamics at the European scale. These results should make it easier to anticipate evolution locally and to improve the management of resistance. © 2019 Society of Chemical Industry
Blood‐Based Biomarkers of Quinpirole Pharmacology: Cluster‐Based PK/PD and Metabolomics to Unravel the Underlying Dynamics in Rat Plasma and Brain
Authors: van den Brink Willem J. , Hartman Robin , van den Berg Dirk‐Jan , Flik Gunnar , Gonzalez‐Amoros Belén , Koopman Nanda , Elassais‐Schaap Jeroen , van der Graaf Piet Hein , Hankemeier Thomas , de Lange Elizabeth C.M. 
Published: January 2019

AbstractA key challenge in the development of central nervous system drugs is the availability of drug target specific blood‐based biomarkers. As a new approach, we applied cluster‐based pharmacokinetic/pharmacodynamic (PK/PD) analysis in brain extracellular fluid (brainECF) and plasma simultaneously after 0, 0.17, and 0.86 mg/kg of the dopamine D2/3 agonist quinpirole (QP) in rats. We measured 76 biogenic amines in plasma and brainECF after single and 8‐day administration, to be analyzed by cluster‐based PK/PD analysis. Multiple concentration‐effect relations were observed with potencies ranging from 0.001–383 nM. Many biomarker responses seem to distribute over the blood‐brain barrier (BBB). Effects were observed for dopamine and glutamate signaling in brainECF, and branched‐chain amino acid metabolism and immune signaling in plasma. Altogether, we showed for the first time how cluster‐based PK/PD could describe a systems‐response across plasma and brain, thereby identifying potential blood‐based biomarkers. This concept is envisioned to provide an important connection between drug discovery and early drug development.
Mesenchymal Stem Cells from Chronic Pancreatitis Patients Show Comparable Potency Compared to Cells from Healthy Donors
Authors: Wang Jingjing , Zhang Yong , Cloud Colleen , Duke Tara , Owczarski Stefanie , Mehrotra Shikhar , Adams David B. , Morgan Katherine , Gilkeson Gary , Wang Hongjun 
Published: January 2019

Abstract
Mesenchymal stem cells (MSCs) are proven to be beneficial in islet transplantation, suggesting a potential therapeutic role of them in total pancreatectomy with islet autotransplantation (TP-IAT) for chronic pancreatitis (CP) patients. We investigated whether MSCs derived from CP patients are suitable for use in autologous cell therapy. MSCs from healthy donors (H-MSCs) and CP patients (CP-MSCs) were studied for phenotype, colony formation potential, multilineage differentiation ability, proliferation, senescence, secretory characters, and immunosuppressive functions. The potential protective effect of CP-MSCs was evaluated on hypoxia-induced islet cell death. Cell surface markers were similar between H-MSCs and CP-MSCs, as well as the ability of colony formation, multilineage differentiation, secretion of vascular endothelial growth factor and transforming growth factor (TGF-β), senescence, and inhibition of T cells proliferation in vitro. We found that growth differentiation factor 6 and hepatocyte growth factor (HGF) were significantly downregulated, whereas TGFβ and matrix metalloproteinase-2 were significantly upregulated in CP-MSCs compared with H-MSCs, among 84 MSC-related genes investigated in this study. MSCs from CP patients secreted less HGF, compared with the H-MSCs. A higher interferon-γ-induced indoleamine 2,3-dioxygenase expression was observed in CP-MSCs compared to H-MSCs. Moreover, CP-MSCs prevented hypoxia-induced β cell deaths to a similar extent as H-MSCs. Regardless of moderate difference in gene expression, CP-MSCs possess similar immunomodulatory and prosurvival functions to H-MSCs, and may be suitable for autologous cell therapy in CP patients undergoing TP-IAT. Stem Cells Translational Medicine 2019;8:418–429
Electrodeposition of Silver Nanoparticles on Reduced Graphene Functionalized by Pyridine‐Pyridazine Units: Application to Surface‐Enhanced Raman Spectroscopy and Electrocatalysis
Authors: Rus Yahdi Bin , Galmiche Laurent , Audebert Pierre , Courty Alexa , Maisonhaute Emmanuel , Miomandre Fabien 
Published: January 2019

AbstractA new and versatile method to prepare Ag nanoparticles on functionalized graphene sheets is described. In a first step, pyridine‐pyridazine units are introduced on graphene sheets by cycloaddition reaction with a tetrazine derivative. Then the material is coated on an electrode and electrodeposition is carried out to generate silver nanoparticles in a one‐step electroreduction process. The applied potential signal is shown to influence the size and dispersity of the particles in the composite. While larger particles are active in improving sensitivity of Surface‐Enhanced Raman Spectroscopy, smaller ones can be efficiently used in electrocatalysis, like for oxygen reduction. Both effects are demonstrated to highlight the versatility of the applications of these easily prepared nanocomposites.
Dissipation of Pyrene‐Based Phenylboronic Acid‐Anchored Vesicular Self‐Assemblies: A Motif for Neurotransmitter Recognition
Authors: Mandal Deep , Das Suman 
Published: January 2019

AbstractThe present article delineates an elegant strategy to develop vesicular self‐assembly based bio‐molecule recognition motif to sense particular class of neuro‐chemicals. Pyrene based phenylboronic acid (PBA) tailored amphiphiles were synthesized that formed vesicular self‐assemblies in aqueous solution. Molecular aggregation patterns and various non‐covalent forces involved in the vesiculation process were analysed through microscopy‐based and spectroscopic techniques. The incorporation of PBA functionality in the amphiphilic backbone rendered di‐ol sensitivity within the vesicular structures owing to its high affinity to bind reversibly with di‐ol (catechol) moieties. Interestingly, the vesicular self‐assemblies exhibited enhanced fluorescence signals in response to miniscule amounts of catecholamine‐class neurotransmitters (dopamine, adrenaline, and noradrenaline) including L‐3,4‐dihydroxyphenylalanine (L–DOPA). Moreover, the vesicular aggregates underwent dissipation in presence of L–DOPA. This dissolution of well‐ordered molecular arrangement along with fluorescence enhancement took place due to the probable formation of boronate‐diol adduct. The soft materials failed to exhibit any physico‐chemical change in the presence of other neuro‐chemicals devoid of a catechol moiety. Thus, the di‐ol induced dissipation and fluorescent augmentation feature of the PBA tethered vesicular aggregates hoisted the soft‐material as proficient bio‐marker for catecholamine class neurotransmitters.
Luminol‐Pendant Chemiluminescent Polymethacrylamide‐Based Polymers for Peroxide Sensing in Live Cell Imaging.
Authors: Deepa Simon , Rajendrakumar Kannapiran 
Published: January 2019

AbstractThe present study aims at the development of luminol pendant functionalized chemiluminescent polymethacrylamides, for sensing and imaging applications. Luminol functionalized poly(methacrylamide) homopolymer was synthesized by the post‐polymerization modification of poly(methacryloyl chloride), (PMC) with luminol. Luminol based methacrylamide monomer (LUME) was synthesized using a simple Schotten‐Baumann type reaction between methacryloyl chloride and luminol. LUME was copolymerized with hydroxyethyl methacrylate (HEMA) using SET‐LRP (Single Electron Transfer‐ Living Radical Polymerization), a controlled radical polymerization technique. Luminol functionalized homo (PML) and copolymer (PHL) were having excellent solubility in basic medium as well as polar solvents like as dimethyl sulfoxide and dimethyl formamide. Basic solutions of both PML and PHL copolymers were tested for their chemiluminescent sensing of hydrogen peroxide using graphene oxide (GO) as a catalyst. Chemiluminescence intensity was found to be varying linearly with an increase in the concentration of hydrogen peroxide for both these polymers. Upto 1 μM of peroxide can be sensed even with a very dilute solution of PML (1.8x10−11M) and PHL (2x10−8M).These chemiluminescent polymethacrylamides were also studied for peroxide sensing in live cells.
Synthesis of New Porphyrin Complexes: Evaluations on Optical, Electrochemical, Electronic Properties and Application as an Optical Sensor
Authors: Brahmi Jihed , Nasri Soumaya , Saidi Hamza , Nasri Habib , Aouadi Kaiss 
Published: January 2019

AbstractThis work reports on the synthesis, characterization and application as an optical sensor of two new porphyrin complexes namely :(Hexamethylenetetramine)(meso‐tetratrifluoromethylphenylporphyrinato) zinc(II) [Zn(TFMPP)(HMTA)] and (Hexamethylenetetramine)(meso‐tetra‐tert‐butylphenylphenylporphyrinato) Zinc(II) [Zn(TtBuPP)(HMTA)]. The chemical structures of these species were defined by 1HNMR and FT‐IR spectroscopic analysis. The optical properties of these π‐conjugated systems were investigated by UV‐visible, absorption and photoluminescence spectroscopy. The UV‐visible titrations show that the Soret and Q bands of the new complexes are red‐shifted compared to those of the starting material species [Zn(TFMPP)] and [Zn(TtBuPP)] and the association constants (Kas) was found to be depending on the withdrawing‐donating effects of the substituents on the phenyls ring of the meso‐porphyrins. The electrochemical behavior was also investigated and the optical and electrochemical energy gaps were determinate. The electronic properties of the ITO/Pi/Al have been defined by I–V characteristics and impedance spectroscopy measurements.
Syntheses and Structures of Group 10 Metal POCOP Pincer Complexes Bearing A Mercapto‐o–carborane Auxiliary Ligand
Authors: Zhang Jie , Cao Bula , Ding Yazhou , Chang Jiarui , Li Shujun , Chen Xuenian 
Published: January 2019

AbstractSeveral bis(phosphinite) (POCOP) group 10 metal pincer complexes bearing a mercapto‐o‐carborane auxiliary ligand, [2,6‐(iPr2PO)2C6H3]MS‐o‐C2B10H11 (M=Ni, 1; Pd, 2; Pt, 3), were synthesized and fully characterized. Single crystal X‐ray diffraction analyses indicated that the square planar geometries of the metal centers and the POCOP pincer backbones were not significantly distorted. However, relatively weak M−S bonds were observed for all of these complexes in the solid state and a remarkable small Pt‐Cipso coupling constant (116 Hz) was detected for complex 3 during the NMR study, implying a weak Pt‐Cipso interaction in solutions. Despite the weak M−S bonds and the faint M–Cipso interaction, these complexes are relatively stable because of the steric effect of the bulky auxiliary ligand. The stability of these boron‐rich group 10 metal pincer complexes makes them potentially useful in material science.
Effect of the Degree of Inversion on the Electrical Conductivity of Spinel ZnFe2O4
Authors: Granone Luis I. , Dillert Ralf , Heitjans Paul , Bahnemann Detlef W. 
Published: January 2019

AbstractSpinel ferrites (MFe2O4, where M is a metal ion) in general, and zinc ferrite (ZnFe2O4, ZFO) in particular, have recently received considerable attention due to promising results in the field of photocatalysis and, especially, photoelectrochemistry. ZFO exhibits a variable crystal structure in which the distribution of the cations between octahedral and tetrahedral sites in the cubic close‐packed oxygen lattice, i. e., the degree of inversion, is known to depend closely on the synthetic conditions. Although the effect on the magnetic and optical properties is well known, fundamental research is still missing to fully understand the impact of the cation distribution on the photoelectrochemical activity. In this context, an utmost important physicochemical property is the electrical conductivity. In this work, the dielectric properties of ZFO samples with degrees of inversion ranging from 0.07 to 0.20 were investigated. The conductivity of the ZFO samples was found to increase as the degree of inversion increases. At an onset value of the degree of inversion between 0.13 and 0.16, the bulk conductivity increases by two orders of magnitude. This increase is a direct evidence of the high impact of the cation arrangement in the crystal lattice on the electronic properties of ZFO.