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https://www.readbyqxmd.com/read/28641237/tunable-excited-state-intramolecular-proton-transfer-reactions-with-nh-or-oh-as-a-proton-donor-a-theoretical-investigation
#1
Yuanyuan Li, Keke Wen, Songyan Feng, Huijuan Yuan, Beibei An, Qiuling Zhu, Xugeng Guo, Jinglai Zhang
Excited-state intramolecular proton transfer (ESIPT) reactions occurring in the S1 state for five molecules, which possess five/six-membered ring intramolecular NH···N or OH···N hydrogen bonds bearing quinoline or 2-phenylpyridine moiety, have been described in detail by the time-dependent density functional theory (TD-DFT) approach using the B3LYP hybrid functional. For the five molecules, the constrained potential energy profiles along the ESIPT reactions show that proton transfer is barrierless in molecules possessing six-membered ring intramolecular H-bonds, which is smoother than that with certain barriers in five-membered ring H-bonding systems...
June 15, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28641212/association-of-gene-polymorphisms-of-four-components-of-renin-angiotensin-aldosterone-system-and-preeclampsia-in-south-african-black-women
#2
M Aung, T Konoshita, J Moodley, P Gathiram
OBJECTIVE: To investigate the association of the gene polymorphisms of: angiotensinogen (AGT), renin (REN), angiotensin II receptor 1 (AT1R) and angiotensin II receptor 2 (AT2R), in the pathogenesis of PE in South African Black women. METHODOLOGY (STUDY DESIGN): 603 pregnant women; 246 normotensive and 357 with PE (early-onset=187, late-onset=170), were recruited. Each study group was subdivided into HIV infected and uninfected groups. The distribution and frequencies of gene polymorphisms of AGT (M235T), REN (C-5312T), AT1R (A1166C) and AT2R (C3123A) were determined in purified DNA by Real Time Polymerase Chain Reaction...
May 18, 2017: European Journal of Obstetrics, Gynecology, and Reproductive Biology
https://www.readbyqxmd.com/read/28641199/influence-of-weight-bearing-visual-feedback-on-movement-symmetry-during-sit-to-stand-task
#3
Sumayeh Abujaber, Federico Pozzi, Joseph Zeni
BACKGROUND: Weight-bearing asymmetry is common in individuals with hip osteoarthritis and after total hip arthroplasty. Including symmetry training to the rehabilitation programs may normalize movement strategies during dynamic tasks. The purpose of this study was to evaluate the immediate influences of real-time visual feedback of weight distribution on the interlimb movement symmetry during the sit-to-stand task, before and after total hip arthroplasty, and to determine whether physical impairments affect the response to visual feedback...
June 8, 2017: Clinical Biomechanics
https://www.readbyqxmd.com/read/28641195/biotransformation-in-the-zebrafish-embryo-temporal-gene-transcription-changes-of-cytochrome-p450-enzymes-and-internal-exposure-dynamics-of-the-ahr-binding-xenobiotic-benz-a-anthracene
#4
Agnes Kühnert, Carolina Vogs, Bettina Seiwert, Silke Aulhorn, Rolf Altenburger, Henner Hollert, Eberhard Küster, Wibke Busch
Not much is known about the biotransformation capability of zebrafish (Danio rerio) embryos. For understanding possible toxicity differences to adult fish, it might be crucial to understand the biotransformation of chemicals in zebrafish embryos i.e. as part of toxicokinetics. The biotransformation capabilities were analysed for two different stages of zebrafish embryos in conjunction with the internal concentrations of a xenobiotic. Zebrafish embryos of the late cleavage/early blastula period (2-26 hpf) and the early pharyngula period (26-50 hpf) were exposed for 24 h to the AhR binding compound benz[a]anthracene (BaA)...
June 19, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28641143/spectroscopic-and-thermodynamic-studies-of-light-harvesting-perylenediimide-derivative-zinc-porphyrin-complex-in-aqueous-media
#5
Ahmed El-Refaey, Shaban Y Shaban, Maged El-Kemary, Mohamed E El-Khouly
Self-assembly of perylene derivative such as N,N'-bis(2(trimethylammonium iodide) ethylene)perylene-3,4,9,10-tetracarboxyldiimide (TAIPDI) can produce one-dimensional form (1D) in an aqueous media. The ability of one-dimensional TAIPDI to form light harvesting complex with water-soluble zinc porphyrin (ZnTPPS4) via the π-π and electrostatic interactions has been described. Owing to electronic interactions between the π-systems, the complex formation is accompanied by pronounced absorption spectral changes in the UV/Vis absorption bands...
June 15, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28640876/reliability-and-performance-of-commercial-rna-and-dna-extraction-kits-for-ffpe-tissue-cores
#6
Palak G Patel, Shamini Selvarajah, Karl-Philippe Guérard, John M S Bartlett, Jacques Lapointe, David M Berman, John B A Okello, Paul C Park
Cancer biomarker studies often require nucleic acid extraction from limited amounts of formalin-fixed, paraffin-embedded (FFPE) tissues, such as histologic sections or needle cores. A major challenge is low quantity and quality of extracted nucleic acids, which can limit our ability to perform genetic analyses, and have a significant influence on overall study design. This study was aimed at identifying the most reliable and reproducible method of obtaining sufficient high-quality nucleic acids from FFPE tissues...
2017: PloS One
https://www.readbyqxmd.com/read/28640862/a-biosystems-approach-to-identify-the-molecular-signaling-mechanisms-of-tmem30a-during-tumor-migration
#7
Jiao Wang, Qian Wang, Dongfang Lu, Fangfang Zhou, Dong Wang, Ruili Feng, Kai Wang, Robert Molday, Jiang Xie, Tieqiao Wen
Understanding the molecular mechanisms underlying cell migration, which plays an important role in tumor growth and progression, is critical for the development of novel tumor therapeutics. Overexpression of transmembrane protein 30A (TMEM30A) has been shown to initiate tumor cell migration, however, the molecular mechanisms through which this takes place have not yet been reported. Thus, we propose the integration of computational and experimental approaches by first predicting potential signaling networks regulated by TMEM30A using a) computational biology methods, b) our previous mass spectrometry results of the TMEM30A complex in mouse tissue, and c) a number of migration-related genes manually collected from the literature, and subsequently performing molecular biology experiments including the in vitro scratch assay and real-time quantitative polymerase chain reaction (qPCR) to validate the reliability of the predicted network...
2017: PloS One
https://www.readbyqxmd.com/read/28640773/salivary-mitochondrial-dna-copy-number-is-associated-with-exercise-ventilatory-efficiency
#8
Yang Chen, Helene Z Hill, Gudrun Lange, Michael J Falvo
Chen, Y, Hill, HZ, Lange, G, and Falvo, MJ. Salivary mitochondrial DNA copy number is associated with exercise ventilatory efficiency. J Strength Cond Res 31(7): 2000-2004, 2017-Mitochondrial DNA copy number (mtDNAcn) is an index of mitochondrial content and is responsive to changes in exercise training volume. Therefore, assessment of mtDNAcn may help to optimize exercise prescription and aid in athlete monitoring. Although previous work has assessed mtDNAcn derived from skeletal muscle and blood using invasive approaches, no study has examined salivary mtDNAcn and its relationship with sport performance...
July 2017: Journal of Strength and Conditioning Research
https://www.readbyqxmd.com/read/28640625/dust-effects-on-nucleation-kinetics-and-nanoparticle-product-size-distributions-illustrative-case-study-of-a-prototype-ir-0-n-transition-metal-nanoparticle-formation-system
#9
Saim Özkar, Richard G Finke
The question is addressed if dust is kinetically important in the nucleation and growth of Ir(0)n nanoparticles formed from [Bu4N]5Na3(1,5-COD)Ir(I)·P2W15Nb3O62 (hereafter [(COD)Ir·POM](8-)), reduced by H2 in propylene carbonate solvent. Following a concise review of the (often-neglected) literature addressing dust in nucleation phenomena dating back to the late 1800s, the nucleation and growth kinetics of the [(COD)Ir·POM](8-) precatalyst system are examined for the effects of 0.2 μm microfiltration of the solvent and precatalyst solution, of rinsing the glassware with that microfiltered solvent, of silanizing the glass reaction vessel, for the addition of <0...
June 22, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28640596/drug-target-kinetics-in-drug-discovery
#10
Peter J Tonge
The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation...
June 22, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28637348/hydrogen-peroxide-sensing-based-on-inner-surfaces-modification-of-solid-state-nanopore
#11
Libo Zhu, Dejian Gu, Quanjun Liu
There are many techniques for the detection of molecules. But detection of molecules through solid-state nanopore in a solution is one of the promising, high-throughput, and low-cost technology used these days. In the present investigation, a solid-state nanopore platform was fabricated for the detection of hydrogen peroxide (H2O2), which is not only a label free product but also a significant participant in the redox reaction. We have successfully fabricated silicon nitride (Si3N4) nanopores with diameters of ~50 nm by using a focused Ga ion beam, the inner surface of the nanopore has been modified with horseradish peroxidase (HRP) by employing carbodiimide coupling chemistry...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28637166/comparison-of-the-anaerobic-digestion-at-the-mesophilic-and-thermophilic-temperature-regime-of-organic-wastes-from-the-agribusiness
#12
Daniela Almeida Streitwieser
An overall kinetic power law model has been successfully applied to study the anaerobic digestion of agricultural wastes. In this comparative kinetic study feed composition, organic load rate, residence time and process temperature have been systematically varied in an automated semi-continuous fermentation system to obtain the dependency of the rate of degradation as biogas production on the organic load rate and temperature. The results show that the overall reaction order depend only on the Chemical Oxygen Demand (COD) at values between 3...
June 17, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28637029/blue-enriched-morning-light-as-a-countermeasure-to-light-at-the-wrong-time-effects-on-cognition-sleepiness-sleep-and-circadian-phase
#13
Mirjam Münch, Claudia Nowozin, Johannes Regente, Frederik Bes, Jan De Zeeuw, Sven Hädel, Amely Wahnschaffe, Dieter Kunz
Light during the day and darkness at night are crucial factors for proper entrainment of the human circadian system to the solar 24-h day. However, modern life and work styles have led to much more time spent indoors, often with lower daytime and higher evening/nighttime light intensity from electrical lighting than outdoors. Whether this has long-term consequences for human health is being currently investigated. We tested if bright blue-enriched morning light over several days could counteract the detrimental effects of inadequate daytime and evening lighting...
June 22, 2017: Neuropsychobiology
https://www.readbyqxmd.com/read/28637016/socs1-gene-promoter-methylation-status-is-associated-with-in-stent-restenosis-after-percutaneous-coronary-intervention
#14
Liang Zhou, Ningfu Wang, Hong Li, Guoxin Tong, Jianmin Yang, Lei Lai, Hao Pan, Xianhua Ye, Jinyu Huang
BACKGROUND: Inflammation is involved in the development of In-stent restenosis (ISR) after percutaneous coronary intervention. We aimed to investigate the association between of suppressor of cytokine signaling-1 (SOCS1), a major negative regulator for inflammation, and the occurrence of ISR in Chinese patients. METHODS: We enrolled patients with coronary artery disease who underwent PCI with stenting. PCI procedures were performed successfully and a follow-up angiography was repeated 1 year later to determine ISR presence...
June 7, 2017: Oncotarget
https://www.readbyqxmd.com/read/28636889/complications-of-hematopoietic-stem-transplantation-fungal-infections
#15
REVIEW
Ali S Omrani, Reem S Almaghrabi
Patients undergoing allogeneic hematopoietic stem cell transplantation (HSCT) are at increased risk of invasive fungal infections, especially during the early neutropenic phase and severe graft-versus-host disease. Mold-active prophylaxis should be limited to the highest risk groups. Empiric antifungal therapy for HSCT with persistent febrile neutropenia is associated with unacceptable response rates, unnecessary antifungal therapy, increased risk of toxicity, and inflated costs. Empiric therapy should not be a substitute for detailed work up to identify the cause of fever in such patients...
June 13, 2017: Hematology/oncology and Stem Cell Therapy
https://www.readbyqxmd.com/read/28636879/delineating-neuroinflammation-parasite-cns-invasion-and-blood-brain-barrier-dysfunction-in-an-experimental-murine-model-of-human-african-trypanosomiasis
#16
Jean Rodgers, Barbara Bradley, Peter G E Kennedy
Although Trypanosoma brucei spp. was first detected by Aldo Castellani in CSF samples taken from sleeping sickness patients over a century ago there is still a great deal of debate surrounding the timing, route and effects of transmigration of the parasite from the blood to the CNS. In this investigation, we have applied contrast-enhance magnetic resonance imaging (MRI) to study the effects of trypanosome infection on the blood-brain barrier (BBB) in the well-established GVR35 mouse model of sleeping sickness...
June 18, 2017: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/28636809/visible-light-driven-aza-ortho-quinone-methide-generation-enables-a-multicomponent-reaction
#17
Wen-Jing Xiao, Yi-Ying Liu, Xiao-Ye Yu, Miao-Maio Qiao, Xiaotian Qi, Jia-Rong Chen, De-Qing Shi
A visible light photoredox-catalyzed and radical-mediated strategy for the in situ generation of aza-ortho-quinone methides from readily accessible alkenylanilines and alkyl radical precursors has been accomplished for the first time. This protocol enables an efficient multicomponent cascade reaction of alkenylanilines, halides and sulfur ylides, and shows wide substrate scope and high functional group tolerance with respect to each component. Treatment of the initially formed cycloaddition products with a base leads to a convergent and streamlined synthesis of densely functionalized indoles in a single flask operation...
June 21, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28636556/long-non-coding-rna-ube2cp3-promotes-tumor-metastasis-by-inducing-epithelial-mesenchymal-transition-in-hepatocellular-carcinoma
#18
Shun-Wang Cao, Jin-Lan Huang, Jing Chen, Yan-Wei Hu, Xiu-Mei Hu, Ting-Yu Ren, Shi-Hao Zheng, Jin-Duan Lin, Jing Tang, Lei Zheng, Qian Wang
Hepatocellular carcinoma (HCC) is a highly aggressive, solid malignancy that has a poor prognosis. Long non-coding RNAs (lncRNAs) have been found to be dysregulated in various cancers, including HCC. However, the molecular mechanism involving lncRNAs in HCC remains largely unknown. In this study, lncRNAs differentially expressed between HCC and corresponding non-cancerous tissue were identified by microarray analysis. A specific differentially expressed lncRNA UBE2CP3 (ubiquitin conjugating enzyme E2 C pseudogene 3) was identified...
June 16, 2017: Oncotarget
https://www.readbyqxmd.com/read/28636459/inhibition-of-fusarium-solani-infection-in-murine-keratocytes-by-lactobacillus-salivarius-ssp-salivarius-jcm1231-culture-filtrate-in-vitro
#19
Jianzhang Hu, Fang Chen, Tong Kan, Hua Zhuang, Jingjin Zhang, Xiaoli Han
PURPOSE: To explore the inhibitory activity of Lactobacillus salivarius ssp. salivarius JCM1231 (L. salivarius JCM1231) culture filtrate against Fusarium solani (F. solani) and its effects on murine keratocytes (MKs) infected with F. solani. METHODS: L. salivarius JCM1231 was cultured in an anaerobic incubator for 24 h, and the L. salivarius culture filtrate (LSCF) was prepared .The antifungal activity of L. salivarius JCM1231 against F. solani was determined with a plate overlay assay, agar diffusion assay, and conidial germination inhibition test...
June 21, 2017: Current Eye Research
https://www.readbyqxmd.com/read/28636396/copper-catalyzed-asymmetric-protoboration-of-%C3%AE-amidoacrylonitriles-and-%C3%AE-amidoacrylate-esters-an-efficient-approach-to-functionalized-chiral-%C3%AE-amino-boronate-esters
#20
Lili Chen, Xiaoliang Zou, Haonan Zhao, Senmiao Xu
A copper-catalyzed asymmetric protoboration of both Z-β-amidoacrylonitriles and ethyl E-β-amidoacrylates using bis(pinacolato)diboron has been developed for the first time. The process tolerates a vast array of substrates, delivering a series of stable functionalized chiral α-amino boronate esters in good yields and enantioselectivities under mild reaction conditions. The current method is also applicable for gram-scale synthesis without erosion of enantioselectivity. This work provides an attractive and complementary approach to synthesizing enantioriched chiral α-amino boronate esters...
June 21, 2017: Organic Letters
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