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https://www.readbyqxmd.com/read/28636668/microbiota-in-anorexia-nervosa-the-triangle-between-bacterial-species-metabolites-and-psychological-tests
#1
Francesca Borgo, Alessandra Riva, Alberto Benetti, Maria Cristina Casiraghi, Sara Bertelli, Stefania Garbossa, Simona Anselmetti, Silvio Scarone, Antonio E Pontiroli, Giulia Morace, Elisa Borghi
Anorexia nervosa (AN) is a psychiatric disease with devastating physical consequences, with a pathophysiological mechanism still to be elucidated. Metagenomic studies on anorexia nervosa have revealed profound gut microbiome perturbations as a possible environmental factor involved in the disease. In this study we performed a comprehensive analysis integrating data on gut microbiota with clinical, anthropometric and psychological traits to gain new insight in the pathophysiology of AN. Fifteen AN women were compared with fifteen age-, sex- and ethnicity-matched healthy controls...
2017: PloS One
https://www.readbyqxmd.com/read/28636148/magneto-structural-characterization-of-oxalamide-dihalo-bridged-copper-dimers-intra-and-interdimer-interactions-studied-by-single-crystal-esr-spectroscopy
#2
Dijana Zilic, Debdeep Maity, Mario Cetina, Kresimir Molcanov, Zoran Dzolic, Mirta Herak
The detailed single crystal electron spin resonance (ESR) analysis of oxalamide complexes with halogen-bridged copper dimers, supported by X-ray, magnetic susceptibility and powder ESR studies, is reported. Four complexes with two different ligands were synthesized: [CuLA(μ-X)]₂ and [CuLV(μ-X)]₂, where LA = N-(L-alanine methyl ester)-N'-((2-pyridine-2-yl)methyl)oxalamide and LV=N-(L-valine methyl ester)-N'-((2-pyridine-2-yl)methyl)oxalamide, while X=Cl or Br. X-ray analysis shows that geometry at each copper(II) ion is square pyramidal while two pyramids share one base-to-apex edge with parallel basal planes...
June 21, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28635340/from-seed-to-cooked-pasta-influence-of-traditional-and-non-conventional-transformation-processes-on-total-antioxidant-capacity-and-phenolic-acid-content
#3
Daniela Martini, Roberto Ciccoritti, Isabella Nicoletti, Francesca Nocente, Danilo Corradini, Maria Grazia D'Egidio, Federica Taddei
The aim of this work was to compare the traditional with a non-conventional (i.e. kernel micronisation) durum wheat milling process by monitoring the content of bound, conjugated and free phenolic acids (PAs) and the level of the total antioxidant capacity (TAC) occurring in the durum wheat pasta production chain, from seed to cooked pasta. The traditional transformation processes negatively influenced TAC and PA content (40% and 89% decrease from seed to cooked pasta, respectively), mainly during the milling process (25% and 84% decrease of TAC and PA, respectively), which has been related to the removal of external layers of kernels...
June 21, 2017: International Journal of Food Sciences and Nutrition
https://www.readbyqxmd.com/read/28635289/exploring-the-drug-resistance-of-hcv-protease
#4
Garima Jindal, Dibyendu Mondal, Arieh Warshel
Hepatitis C virus (HCV) currently affects several million people across the globe. One of the major classes of drugs inhibits the NS3/4A protease of the polyprotein chain. Efficacy of these drugs is severely limited due to the high mutation rate that results in several genetically related quasispecies. The molecular mechanism of drug resistance is generally based on structural studies and binding free energies. However, prediction of new mutations requires a quantity that can define both binding free energy of the drug as well as the parameters (kcat and KM) for the natural substrate...
June 21, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28634473/toxic-effects-of-prodigiosin-secreted-by-hahella-sp-ka22-on-harmful-alga-phaeocystis-globosa
#5
Huajun Zhang, Hui Wang, Wei Zheng, Zhiyuan Yao, Yun Peng, Su Zhang, Zhong Hu, Zhen Tao, Tianling Zheng
Application of algicidal compounds secreted by bacteria is a promising and environmentally friendly strategy to control harmful algal blooms (HABs). Years ago prodigiosin was described as an efficient algicidal compound, but the details about the effect of prodigiosin on algal cells are still elusive. Prodigiosin shows high algicidal activity on Phaeocystis globosa, making it a potential algicide in HAB control. When P. globosa were treated with prodigiosin at 5 μg/mL, algae cells showed cytoplasmic hypervacuolization, chloroplast and nucleus rupture, flagella missing, and cell fracture, when observed by scanning electron microscope and transmission electron microscopy...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28633894/synthesis-and-antibacterial-activity-of-5-methylphenanthridium-derivatives-as-ftsz-inhibitors
#6
Fang Liu, Henrietta Venter, Fangchao Bi, Susan J Semple, Jingru Liu, Chaobin Jin, Shutao Ma
5-Methylphenanthridium derivatives were designed, synthesized and evaluated for their in vitro antibacterial activity and cell division inhibitory activity against various Gram-positive and -negative bacteria. Among them, compounds 5A2, 5B1, 5B2, 5B3, 5C1 and 5C2 displayed the best on-target antibacterial activity with an MIC value of 4µg/mL against B. subtilis ATCC9372 and S. pyogenes PS, showing over 2-fold better activity than sanguinarine. The SARs showed that the 5-methylphenanthridium derivatives with the alkyl side chains at the 2-postion, especially the straight alkyl side chains exerted better on-target antibacterial activity...
June 3, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28632825/-what-do-the-numbers-tell-us-about-the-temporal-evolution-of-chagas-disease
#7
Mauricio Canals, Christian González, Lucia Canals, Andrea Canals, Dante Cáceres, Sergio Alvarado, Pedro E Cattan, Miguel Saavedra, Inés Zulantay, Werner Apt
Chagas disease remains highly prevalent in Chile, especially between the regions of Arica and Parinacota, and Coquimbo. Since 1999 it is considered that in Chile the vector transmission was interrupted. Under this premise, the epidemiological dynamics should be changing. We analyzed the evolution of the prevalence of Chagas' disease analyzing 64,995 xenodiagnosis performed in the laboratory of Parasitology of the Faculty of Medicine of the University of Chile between 1949 and 2014. The evolution of the mortalities and incidences from the databases of the Ministry of Health in the periods in which it was analyzed...
April 2017: Revista Chilena de Infectología: órgano Oficial de la Sociedad Chilena de Infectología
https://www.readbyqxmd.com/read/28632743/in-silico-assessment-of-the-effects-of-quinidine-disopyramide-and-e-4031-on-short-qt-syndrome-variant-1-in-the-human-ventricles
#8
Cunjin Luo, Kuanquan Wang, Henggui Zhang
AIMS: Short QT syndrome (SQTS) is an inherited disorder associated with abnormally abbreviated QT intervals and an increased incidence of atrial and ventricular arrhythmias. SQT1 variant (linked to the rapid delayed rectifier potassium channel current, IKr) of SQTS, results from an inactivation-attenuated, gain-of-function mutation (N588K) in the KCNH2-encoded potassium channels. Pro-arrhythmogenic effects of SQT1 have been well characterized, but less is known about the possible pharmacological antiarrhythmic treatment of SQT1...
2017: PloS One
https://www.readbyqxmd.com/read/28632421/novel-urushiol-derivatives-as-hdac8-inhibitors-rational-design-virtual-screening-molecular-docking-and-molecular-dynamics-studies
#9
Hao Zhou, Chengzhang Wang, Tao Deng, Ran Tao, Wenjun Li
Three series of novel urushiol derivatives were designed by introducing a hydroxamic acid moiety into the tail of an alkyl side chain and substituents with differing electronic properties or steric bulk onto the benzene ring and alkyl side chain. The compounds' binding affinity towards HDAC8 was screened by Glide docking. The highest-scoring compounds were processed further with molecular docking, MD simulations and binding free energy studies to analyze the binding modes and mechanisms. Ten compounds had Glide scores of -8...
June 20, 2017: Journal of Biomolecular Structure & Dynamics
https://www.readbyqxmd.com/read/28631925/anticancer-activity-of-polyoxometalate-bisphosphonate-complexes-synthesis-characterization-in-vitro-and-in-vivo-results
#10
Amandine Boulmier, Xinxin Feng, Olivier Oms, Pierre Mialane, Eric Rivière, Christopher J Shin, Jiaqi Yao, Tadahiko Kubo, Taisuke Furuta, Eric Oldfield, Anne Dolbecq
We synthesized a series of polyoxometalate-bisphosphonate complexes containing Mo(VI)O6 octahedra, zoledronate, or an N-alkyl (n-C6 or n-C8) zoledronate analogue, and in two cases, Mn as a heterometal. Mo6L2 (L = Zol, ZolC6, ZolC8) and Mo4L2Mn (L = Zol, ZolC8) were characterized by using single-crystal X-ray crystallography and/or IR spectroscopy, elemental and energy dispersive X-ray analysis and (31)P NMR. We found promising activity against human nonsmall cell lung cancer (NCI-H460) cells with IC50 values for growth inhibition of ∼5 μM per bisphosphonate ligand...
June 20, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28631922/dual-property-supramolecular-h-bonded-15-crown-5-ln-iii-chains-joint-magneto-luminescence-and-ab-initio-studies
#11
Majeda Al Hareri, Zineb Ras Ali, Jeffery Regier, Emma L Gavey, Luis D Carlos, Rute A S Ferreira, Melanie Pilkington
Two complexes comprising 9-coordinate capped square antiprismatic [Ln(NO3)3(OH2)2(MeOH)] units [Ln(III) = Dy 6; Tb 7] are reported in which the metal complexes are hydrogen-bonded to 15C5 (15-crown-5) macrocycles to form supramolecular chains, {[Ln(NO3)3(OH2)2(MeOH)]·(15C5)}n. Alternating current magnetic susceptibility measurements supported by ab initio studies show field-induced SMM (single-molecule magnet) behavior for 6, but rapid relaxation of the magnetization for 7 because of the presence of dominant quantum tunneling processes as evidenced by the presence of a significant calculated tunnel splitting within the ground-state multiplet...
June 20, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28631886/nlrp3-expression-and-urinary-hsp72-in-relation-to-biomarkers-of-inflammation-and-oxidative-stress-in-diabetic-nephropathy-patients
#12
Hemat El-Sayed El-Horany, Rania Nagi Abd-Ellatif, Mona Watany, Yasser M Hafez, Hanaa Ibrahim Okda
Diabetic nephropathy (DN) is one of the major causes of end-stage renal disease. Nod-like receptors nucleotide-binding domain and leucine-rich repeat pyrin-3 domain (NLRP3) inflammasome displays a considerable role in the chronic inflammatory state observed in diabetic patients. Urinary heat shock protein 72 (uHSP72) is a sensitive and specific biomarker for the early detection of acute kidney injury. The aim of this study was to evaluate NLRP3 relative gene expression, its correlation with inflammatory and oxidative stress markers, and to assess the value of uHSP72 in the early detection of DN in type 2 diabetic patients with different degrees of DN...
June 20, 2017: IUBMB Life
https://www.readbyqxmd.com/read/28631833/tools-to-minimize-inter-laboratory-variability-in-vitellogenin-gene-expression-monitoring-programs
#13
Aaron Jastrow, Denise A Gordon, Kasie M Auger, Elizabeth C Punska, Kathleen F Arcaro, Kristen Keteles, Dana Winkelman, David Lattier, Adam Biales, James M Lazorchak
The egg yolk precursor protein vitellogenin is widely used as a biomarker of estrogen exposure in male fish. However, standardized methodology is lacking and little is known regarding the reproducibility of results among laboratories using different equipment, reagents, protocols, and employing different data analysis programs. To address this data gap we tested the reproducibility across labs to evaluate vitellogenin gene (vtg) expression and assessed the value of using a freely available software data analysis program...
June 20, 2017: Environmental Toxicology and Chemistry
https://www.readbyqxmd.com/read/28631563/prognostic-significance-of-glutathione-peroxidase-2-in-gastric-carcinoma
#14
Dongzhe Liu, Liang Sun, Jinxue Tong, Xiuhui Chen, Hui Li, Qifan Zhang
Increasing evidence suggests that the glutathione peroxidase 2 may actually play important roles in tumorigenesis and progression in various human cancers such as colorectal carcinomas and lung adenocarcinomas. However, the role of glutathione peroxidase 2 in gastric carcinoma remains to be determined. In this study, the expression and prognostic significance of glutathione peroxidase 2 in gastric carcinoma were investigated and the well-known prognostic factor Ki-67 labeling index was also assessed as positive control...
June 2017: Tumour Biology: the Journal of the International Society for Oncodevelopmental Biology and Medicine
https://www.readbyqxmd.com/read/28631130/new-insights-into-human-farnesyl-pyrophosphate-synthase-inhibition-by-second-generation-bisphosphonate-drugs
#15
D Fernández, R Ramis, J Ortega-Castro, R Casasnovas, B Vilanova, J Frau
Pamidronate, alendronate, APHBP and neridronate are a group of drugs, known as second-generation bisphosphonates (2G-BPs), commonly used in the treatment of bone-resorption disorders, and recently their use has been related to some collateral side effects. The therapeutic activity of 2G-BPs is related to the inhibition of the human Farnesyl Pyrophosphate Synthase (hFPPS). Available inhibitory activity values show that 2G-BPs act time-dependently, showing big differences in their initial inhibitory activities but similar final IC50 values...
June 19, 2017: Journal of Computer-aided Molecular Design
https://www.readbyqxmd.com/read/28631123/modeling-solubility-of-co2-hydrocarbon-gas-in-ionic-liquid-emim-fap-using-aspen-plus-simulations
#16
Bishwadeep Bagchi, Sushmita Sati, Vidyasagar Shilapuram
The Peng-Robinson equation of state with quadratic van der Waals (vdW) mixing rule model was chosen to perform the thermodynamic calculations in Flash3 column of Aspen Plus to predict the solubility of CO2 or any one of the hydrocarbons (HCs) among methane, ethane, propane, and butane in an ionic liquid 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([emim][FAP]). Bubble point pressure, solubility, bubble point temperature, fugacity, and partial molar volume at infinite dilution were obtained from the simulations, and enthalpy of absorption, Gibbs free energy of solvation, and entropy change of absorption were estimated by thermodynamic relations...
June 19, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28630621/development-of-snp-genotyping-assays-for-seed-composition-traits-in-soybean
#17
Gunvant Patil, Juhi Chaudhary, Tri D Vuong, Brian Jenkins, Dan Qiu, Suhas Kadam, Grover J Shannon, Henry T Nguyen
Seed composition is one of the most important determinants of the economic values in soybean. The quality and quantity of different seed components, such as oil, protein, and carbohydrates, are crucial ingredients in food, feed, and numerous industrial products. Soybean researchers have successfully developed and utilized a diverse set of molecular markers for seed trait improvement in soybean breeding programs. It is imperative to design and develop molecular assays that are accurate, robust, high-throughput, cost-effective, and available on a common genotyping platform...
2017: International Journal of Plant Genomics
https://www.readbyqxmd.com/read/28630445/myocardial-deformation-in-cardiac-amyloid-light-chain-amyloidosis-assessed-with-3t-cardiovascular-magnetic-resonance-feature-tracking
#18
Rui Li, Zhi-Gang Yang, Hua-Yan Xu, Ke Shi, Xi Liu, Kai-Yue Diao, Ying-Kun Guo
Clinically, assessment of myocardial function is essential in patients with amyloid light-chain cardiac amyloidosis (AL-CA) to predict outcome and determine therapeutic approach. The aim of this study was to investigate the feasibility of cardiovascular magnetic resonance (CMR)-derived feature tracking algorithm for assessing left ventricular (LV) myocardial deformation in AL-CA, and to determine if these abnormal myocardial deformation parameters are correlated to impaired LV myocardial microvascular dysfunction...
June 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28630434/metallicity-in-a-holstein-hubbard-chain-at-half-filling-with-gaussian-anharmonicity
#19
Ch Uma Lavanya, I V Sankar, Ashok Chatterjee
The Holstein-Hubbard model with Gaussian phonon anharmonicity is studied in one-dimension at half filling using a variational method based on a series of canonical transformations. A fairly accurate phonon state is chosen to average the transformed Holstein-Hubbard Hamiltonian to obtain an effective Hubbard model which is then solved using the exact Bethe - ansatz following Lieb and Wu to obtain the ground state energy, the average lattice displacement and the renormalized parameters. The Mott-Hubbard criterion, local spin moment and the von Neumann entropy (which is a measure of quantum entanglement) are calculated to determine the ground state phase diagram which shows that the width of the metallic phase flanked by the SDW and CDW phases increases with increasing anharmonicity at low and moderate values of anharmonicity but eventually saturates when the anharmonicity becomes substantially large...
June 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28628399/polymorphisms-in-lep-and-lepr-genes-in-infants-correlation-with-serum-leptin-values-in-the-first-6-months-of-life
#20
Francesco Savino, Allegra Sardo, Paola Montanari, Ilaria Galliano, Liliana Di Stasio, Massimiliano Bergallo, Leandra Silvestro
OBJECTIVE: Because several studies indicate that polymorphisms in leptin (Lep) and leptin receptor (Lepr) genes play a central role in determining obesity, we analyzed 2 single nucleotide polymorphisms (SNPs) in the Lep gene (Lep G2548A and A19G) and one in the Lepr gene (Lepr A668G) to verify the effect of the 3 SNPs on leptin concentrations in infancy. METHODS: We enrolled 80 healthy Caucasian infants under 6 months of age, who were genotyped for the 3 SNPs with amplification refractory mutation system-mismatch amplification mutation assay (ARMS-MAMA) real-time polymerase chain reaction (PCR)...
June 19, 2017: Journal of the American College of Nutrition
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