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Tingting You, Yuhui Wang, Kefa Li, Danting Zhang, Huan Wei, Yanhong Luo, Hua Li, Yongzhi Lu, Xunchen Su, Zhihe Kuang
SPRY domain-containing SOCS box protein 2 (SPSB2) is a negative regulator of inducible nitric oxide synthase (iNOS) that modulates the lifetime of iNOS and thus the levels of nitric oxide (NO) production. Inhibitors that can disrupt the endogenous SPSB2-iNOS interaction and augment NO production have potential as novel antimicrobial and anticancer drugs. In this study, we have designed a cyclic peptide (cR8), containing an RGD motif and the SPSB2 binding motif (DINNNV). ITC and chemical shift perturbation showed that cR8 binds to the iNOS binding site on SPSB2 with a Kd of 671 nM, and saturation transfer difference NMR showed that cR8 binds to αvβ3 integrin-expressing cells...
May 23, 2017: Biochemical and Biophysical Research Communications
Charles M Stevens, Kaveh Rayani, Gurpreet Singh, Bairam Lotfalisalmasi, D Peter Tieleman, Glen F Tibbits
Cardiac troponin C (cTnC) is the regulatory protein that initiates cardiac contraction in response to Ca(2+) TnC binding Ca(2+) initiates a cascade of protein-protein interactions that begins with the opening of the N-terminal domain of cTnC, followed by cTnC binding the Troponin I switch peptide (TnISW). We have evaluated, through isothermal titration calorimetry (ITC) and MD simulation, the effect of several clinically relevant mutations (A8V, L29Q, A31S, L48Q, Q50R and C84Y) on the Ca(2+) affinity, structural dynamics, and calculated interaction strengths between cTnC and each of Ca(2+) and TnISW Surprisingly the Ca(2+) affinity measured by ITC was only significantly affected by half of these mutations, with the exceptions of the L48Q, Q50R and C84Y mutants, which had an affinity 10-fold, 3-fold and 3-fold higher than wild-type, respectively...
May 22, 2017: Journal of Biological Chemistry
Jeong Gu Lee, Sooyeon Lim, Jongkee Kim, Eun Jin Lee
The hydrolysis of glucosinolates (GSLs) by myrosinase yields varieties of degradation products including isothiocyanates (ITCs). This process is controlled by the glucosinolate-myrosinase (G-M) system. The major ITCs in radish roots are raphasatin and sulforaphene (SFE), and the levels of these compounds decrease during storage after harvest. We investigated the G-M system to understand the mechanism behind the decrease in the ITCs in radish roots. Six varieties of radish roots were stored for 8weeks at 0-1...
October 15, 2017: Food Chemistry
Qiaomei Sun, Jiawei He, Hongqin Yang, Shanshan Li, Ludan Zhao, Hui Li
Thiabendazole (TBZ), which is oxidized into 5-hydroxythiabendazole (5-OH-TBZ) in vivo, is a commonly used food preservative. Interactions of TBZ and 5-OH-TBZ with human serum albumin (HSA) were comprehensively studied via multiple spectroscopic methods and molecular docking. This study focussed on the mechanistic and structural information on binding of TBZ and 5-OH-TBZ to HSA to evaluate the impact of the food additive on HSA. (1)H NMR spectra of the two ligands showed the binding exists. ITC and fluorescence spectroscopy results revealed that TBZ was a stronger ligand, with a binding constant of 10(5)l/mol and formed a more stable complex with HSA than did 5-OH-TBZ via electrostatic interaction...
October 15, 2017: Food Chemistry
Emir Demirović, Nysret Musliu
High school timetabling (HSTT) is a well known and wide spread problem. The problem consists of coordinating resources (e.g. teachers, rooms), times, and events (e.g. lectures) with respect to various constraints. Unfortunately, HSTT is hard to solve and just finding a feasible solution for simple variants of HSTT has been proven to be NP-complete. We propose a new modeling approach for HSTT using bitvectors in which constraint costs of the general HSTT can be calculated using bit operations. This model allows efficient computation of constraint costs making it useful when implementing HSTT algorithms...
2017: Annals of Operations Research
Natarajan Nandakumar, Rambabu Dandela, Jacob Gopas, Michael M Meijler
In recent years it has become evident that bacteria can modulate signaling pathways in host cells through the secretion of small signaling molecules. We have evaluated the cytotoxic effects and NF-κB inhibitory activities of a panel of quorum sensing molecules and their reactive analogs on Hodgkin's lymphoma cells (L428). We found that several molecules inhibited NF-κB signaling in a dose dependent manner. Three inhibitors (ITC-12, ITC-Cl and Br-Furanone) showed 50% NF-κB inhibition at concentrations less than 10µM (4...
May 6, 2017: Bioorganic & Medicinal Chemistry Letters
Zejun Li, Tara Elton Marshall, Geoffrey T Fong, Anne Chiew Kin Quah, Guoze Feng, Yuan Jiang, Sara C Hitchman
BACKGROUND: Health warnings labels (HWLs) have the potential to effectively communicate the health risks of smoking to smokers and non-smokers, and encourage smokers to quit. This study sought to examine whether non-smokers in China notice the current text-only HWLs and whether they support adding more health information and including pictures on HWLs. METHODS: Adult non-smokers (n = 1324) were drawn from Wave 4 (September 2011-November 2012) of the International Tobacco Control (ITC) China Survey...
May 19, 2017: BMC Public Health
Xin Zhang, Halima Tabani, Ivan El-Sayed, Matthew Russell, Xuequan Feng, Arnau Benet
BACKGROUND: Surgical access to Meckel's Cave (MC) is challenging due to its deep location and surrounding important neurovascular structures. Currently existing endoscopic endonasal (EE) approaches require dissecting near the internal carotid artery (ICA) or require transposition of the pterygopalatine neurovascular bundle. OBJECTIVE: To describe a novel approach to access the anterolateral aspect of the MC using a minimally invasive EE route. METHODS: The EE transmaxillary transinferior orbital fissure approach was simulated in 10 specimens...
June 1, 2017: Operative Neurosurgery (Hagerstown, Md.)
Teng-Fei Lian, Yong-Ping Xu, Lan-Fen Li, Xiao-Dong Su
Jasmonates (JAs) are essential plant hormones that play important roles in the regulation of plant growth and the response to environmental stress. In the JA signaling pathway, the core transcription factors are a class of basic helix-loop-helix (bHLH) proteins, including MYC2, MYC3, and MYC4, that have different regulatory capacities. Here, we report the 2.7 Å crystal structure of the MYC2 bHLH domain complexed with G-box DNA, showing a cis-tetrameric structure. Biochemical assays confirmed that full-length MYC2 forms a stable homo-tetramer both in solution and in DNA-bound states, whereas MYC3 forms only a homodimer...
May 16, 2017: Cell Reports
Lilit Tonoyan, Gerard T A Fleming, Paul H Mc Cay, Ruairi Friel, Vincent O'Flaherty
Antibiotic resistance is an increasingly serious threat to global health. Consequently, the development of non-antibiotic based therapies and disinfectants, which avoid induction of resistance, or cross-resistance, is of high priority. We report the synthesis of a biocidal complex, which is produced by the reaction between ionic oxidizable salts-iodide and thiocyanate-in the presence of hydrogen peroxide as an oxidation source. The reaction generates bactericidal reactive oxygen and iodine species. In this study, we report that the iodo-thiocyanate complex (ITC) is an effective bactericidal agent with activity against planktonic and biofilm cells of Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus and methicillin-resistant S...
2017: Frontiers in Microbiology
Ivan Zanyatkin, Yulia Stroylova, Sofia Tishina, Victor Stroylov, Aleksandra Melnikova, Thomas Haertle, Vladimir Muronetz
Neurodegenerative diseases are associated with accumulation of amyloid-type protein misfolding products. Prion protein (PrP) is known for its ability to aggregate into soluble oligomers that in turn associate into amyloid fibrils. Preventing the formation of these infective and neurotoxic entities represents a viable strategy to control prion diseases. Numerous attempts to find dietary compounds with anti-prion properties have been made; however, the most promising agent found so far was curcumin, which is poorly soluble and merely bioavailable...
May 16, 2017: Phytotherapy Research: PTR
Benjamin Weixler, Andreas Rickenbacher, Dimitri Aristotle Raptis, Carsten T Viehl, Ulrich Guller, Jessica Rueff, Andreas Zettl, Markus Zuber
BACKGROUND: Sentinel lymph node (SLN) mapping was reported to improve lymph node staging in colon cancer. This study compares isosulfan blue (IB) with indocyanine green (ICG)-based SLN-mapping and assesses the prognostic value of isolated tumor cells (ITC) and micro-metastases in upstaged patients. METHODS: A total of 220 stage I-III colon cancer patients were included in this prospective single-center study. In 170 patients, SLN-mapping was performed in vivo with IB and in 50 patients ex vivo with ICG...
May 15, 2017: World Journal of Surgery
Geetanjali Rampal, Tarunpreet Singh Thind, Rohit Arora, Adarsh Pal Vig, Saroj Arora
Although plant foods provide an array of nutrients in the human diet, our knowledge of how these nutrients are interacting among each other at molecular level is limited. Among these, glucosinolates are the most important secondary metabolites, which are readily hydrolyzed to a variety of products including isothiocyanates. The current study emphasizes on the antimutagenic potential of three isothiocyanates (ITCs) viz. allyl, benzyl and 3-butenyl ITCs (individually and in binary combinations) in Ames Salmonella histidine reversion assay using Salmonella typhimurium TA98 and TA100 tester strains...
May 12, 2017: Food and Chemical Toxicology
Bijan K Paul, Nikhil Guchhait, Subhash Chandra Bhattacharya
The present work reveals the study of interaction of a promising chemotherapeutic drug ciprofloxacin (CFX) with a model transport protein bovine serum albumin (BSA). The occurrence of the drug-protein interaction is found to result in significant modulations of the fluorescence excitation and emission spectroscopic properties of CFX following interaction with BSA. However, the major focus of the study underlies a critical insight into the quantitation of the drug-protein interaction phenomenon. To this end, we have exploited the isothermal titration calorimetric (ITC) technique to quantify the affinity constant (Ka) and stoichiometry (n) of the CFX-BSA interaction with simultaneous revelation of the accompanying thermodynamics of the interaction process...
May 5, 2017: Journal of Photochemistry and Photobiology. B, Biology
Somnath Koley, Manas Ranjan Panda, Kiran Bharadwaj, Subhadip Ghosh
Molecular recognitions, causing supramolecular complex formation between a hyperbranched polymer molecule (polyamidoamine (PAMAM) dendrimer generation 3) with oppositely charged surfactant sodium dodecyl sulfate (SDS) in aqueous solution, were studied by using various spectroscopic techniques and calorimetric titration of heat change measurements. Spectroscopic measurements were performed using dynamic Stokes shift (DSS), rotational anisotropy decay, and translational diffusion of a fluorescent probe molecule coumarin 153 (C153) noncovalently attached to the dendrimer-surfactant complex...
May 25, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
Fiona M Scholz, Amanda K Burrows, Craig E Griffin, Russell Muse
BACKGROUND: Currently the same allergen concentrations for canine intradermal testing (IDT) are recommended for feline IDT. Feline skin reactions are subtle and more difficult to read than canine reactions. This difference may be due to suboptimal allergen concentrations used for IDT in cats. HYPOTHESIS/OBJECTIVES: To determine the irritant threshold concentration (ITC) of 16 pollen allergens using serial dilutions of allergen and intravenous fluorescein. The hypothesis tested was that feline IDT currently is performed at suboptimal allergen concentrations for pollens...
May 14, 2017: Veterinary Dermatology
Eline Meijer, Colette van Laar, Winifred A Gebhardt, Marjolein Fokkema, Bas van den Putte, Arie Dijkstra, Geoffrey T Fong, Marc C Willemsen
Successful smoking cessation appears to be facilitated by identity change, that is, when quitting or nonsmoking becomes part of smokers' and ex-smokers' self-concepts. The current longitudinal study is the first to examine how identity changes over time among smokers and ex-smokers and whether this can be predicted by socioeconomic status (SES) and psychosocial factors (i.e., attitude, perceived health damage, social norms, stigma, acceptance, self-evaluative emotions, health worries, expected social support)...
May 11, 2017: Psychology of Addictive Behaviors: Journal of the Society of Psychologists in Addictive Behaviors
Qing He, Michael Kelliher, Steffen Bähring, Vincent M Lynch, Jonathan L Sessler
Herein we describe a large capsule-like bis-calix[4]pyrrole 1, which is able to host concurrently two dihydrogen phosphate anions within a relatively large internal cavity. Evidence for the concurrent, dual recognition of the encapsulated anions came from (1)H NMR and UV-vis spectroscopies and ITC titrations carried out in CD2Cl2/CD3OD (9/1, v/v) or dichloroethane (DCE), as well as single crystal X-ray diffraction analyses. Receptor 1 was also found to bind two dianionic sulfate anions bridged by two water molecules in the solid state...
May 17, 2017: Journal of the American Chemical Society
Milan S Dekić, Niko S Radulović, Nikola M Stojanović, Pavle J Randjelović, Zorica Z Stojanović-Radić, Stevo Najman, Sanja Stojanović
Detailed analyses of horseradish autolysates led to the identification of a new natural product, 5-phenylpentyl isothiocyanate (PhPeITC). The structural assignment was corroborated by synthesis, and the identity unequivocally established by spectral means. The occurrence of PhPeITC is the first direct proof of the existence of a 5-phenylpentyl glucosinolate in the aerial parts of this species as one of the possible "mustard oil" precursors. To verify its possible contribution to the horseradish functional food status, horseradish above- and underground autolysates, together with five ω-phenylalkyl isothiocyanates were tested for their spasmolytic, cytotoxic and antimicrobial activities...
October 1, 2017: Food Chemistry
Shuya Li, Feng Wang, Xiaoqiu Li, Jing Chen, Xiaohan Zhang, Yucai Wang, Juewen Liu
Zwitterionic phosphocholine (PC) liposomes are widely used for drug delivery since they are highly biocompatible and have a long blood circulation time. We herein report that by flipping the direction of the PC dipole, the resulting choline phosphate liposomes (named CPe) have an even longer circulation time, as confirmed at both cellular and animal model levels. Even when 33% cholesterol was included in the lipid formulation with a polyethylene glycol (PEG) layer, the CPe liposome still had a longer blood circulation time...
May 10, 2017: ACS Applied Materials & Interfaces
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