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https://www.readbyqxmd.com/read/28528393/chronic-and-episodic-stress-predict-physical-symptom-bother-following-breast-cancer-diagnosis
#1
Lauren N Harris, Margaret R Bauer, Joshua F Wiley, Constance Hammen, Jennifer L Krull, Catherine M Crespi, Karen L Weihs, Annette L Stanton
Breast cancer patients often experience adverse physical side effects of medical treatments. According to the biobehavioral model of cancer stress and disease, life stress during diagnosis and treatment may negatively influence the trajectory of women's physical health-related adjustment to breast cancer. This longitudinal study examined chronic and episodic stress as predictors of bothersome physical symptoms during the year after breast cancer diagnosis. Women diagnosed with breast cancer in the previous 4 months (N = 460) completed a life stress interview for contextual assessment of chronic and episodic stress severity at study entry and 9 months later...
May 20, 2017: Journal of Behavioral Medicine
https://www.readbyqxmd.com/read/28528391/dynamism-in-the-upstream-invasion-edge-of-a-freshwater-fish-exposes-range-boundary-constraints
#2
Erika S Rubenson, Julian D Olden
Studying the dynamics of species' borders can provide insight into the mechanisms limiting or promoting range expansion in response to environmental change. In the John Day River, Oregon (USA), rising stream temperatures are facilitating the upstream expansion of invasive smallmouth bass Micropterus dolomieu. Here, where smallmouth bass occupy the upstream limit of its thermal tolerance, we explore population structure and seasonal movement patterns to elucidate the environmental conditions and individual traits that define front edge (where individuals reside year-round) and leading edge (where individuals colonize, but may not establish) limits to its upstream distribution...
May 20, 2017: Oecologia
https://www.readbyqxmd.com/read/28528255/molecular-structure-second-and-third-order-nonlinear-optical-properties-and-dft-studies-of-a-novel-non-centrosymmetric-chalcone-derivative-2e-3-4-fluorophenyl-1-4-1e-4-fluorophenyl-methylene-amino-phenyl-prop-2-en-1-one
#3
Shivaraj R Maidur, Parutagouda Shankaragouda Patil, Anusha Ekbote, Tze Shyang Chia, Ching Kheng Quah
In the present work, the title chalcone, (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl) methylene]amino}phenyl)prop-2-en-1-one (abbreviated as FAMFC), was synthesized and structurally characterized by single-crystal X-ray diffraction. The compound is crystallized in the monoclinic system with non-centrosymmetric space group P21 and hence it satisfies the essential condition for materials to exhibit second-order nonlinear optical properties. The molecular structure was further confirmed by using FT-IR and (1)H NMR spectroscopic techniques...
May 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28528209/parental-monitoring-among-young-men-who-have-sex-with-men-associations-with-sexual-activity-and-hiv-related-sexual-risk-behaviors
#4
Brian C Thoma
PURPOSE: Young men who have sex with men (YMSM) are at disproportionate risk for HIV infection. Parental monitoring is protective against adolescent sexual risk behavior among heterosexual adolescents, yet it is unclear whether these findings generalize to YMSM. YMSM experience unique family dynamics during adolescence, including coming out to parents and parental rejection of sexual orientation. The present study examined how theoretically derived parental monitoring constructs were associated with sexual activity and sexual risk behaviors among YMSM...
May 17, 2017: Journal of Adolescent Health: Official Publication of the Society for Adolescent Medicine
https://www.readbyqxmd.com/read/28528003/acinetobacter-baumannii-k11-and-k83-capsular-polysaccharides-have-the-same-6-deoxy-l-talose-containing-pentasaccharide-k-units-but-different-linkages-between-the-k-units
#5
Johanna J Kenyon, Alexander S Shashkov, Sof'ya N Senchenkova, Mikhail M Shneider, Bin Liu, Anastasiya V Popova, Nikolay P Arbatsky, Konstantin A Miroshnikov, Lei Wang, Yuriy A Knirel, Ruth M Hall
Acinetobacter baumannii produces a variety of capsular polysaccharides (CPS) via genes located at the chromosomal K locus and some KL gene clusters include genes for the synthesis of specific sugars. The structures of K11 and K83 CPS produced by isolates LUH5545 and LUH5538, which carry related KL11a and KL83 gene clusters, respectively, were established by sugar analysis and one- and two-dimensional (1)H and (13)C NMR spectroscopy. Both CPS contain L-rhamnose (L-Rha) and 6-deoxy-L-talose (L-6dTal), and both KL gene clusters include genes for dTDP-L-Rhap synthesis and a tle (talose epimerase) gene encoding an epimerase that converts dTDP-L-Rhap to dTDP-L-6dTalp...
May 17, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28527848/combined-therapy-for-a-rare-case-of-type-iii-dens-invaginatus-in-a-mandibular-central-incisor-with-a-periapical-lesion-a-case-report
#6
Ping Zhang, Xin Wei
Type III dens invaginatus has a complex root canal structure that poses a greater challenge when endodontic treatment is necessary. Type III dens invaginatus rarely affects mandibular central incisors. In this case, we reported a combined therapy of type III dens invaginatus in a mandibular central incisor with a periapical lesion. Cone-beam computed tomographic (CBCT) imaging was used in the diagnosis and management of the unusual anatomy of dens invaginatus. First, the hard tissue of the dens invaginatus was removed using a dental operating microscope...
May 17, 2017: Journal of Endodontics
https://www.readbyqxmd.com/read/28527788/taking-control-structural-and-behavioural-plasticity-in-response-to-game-based-inhibition-training-in-older-adults
#7
Simone Kühn, Robert C Lorenz, Markus Weichenberger, Maxi Becker, Marten Haesner, Julie O'Sullivan, Anika Steinert, Elisabeth Steinhagen-Thiessen, Susanne Brandhorst, Thomas Bremer, Jürgen Gallinat
While previous attempts to train self-control in humans have frequently failed, we set out to train response inhibition using computer-game elements. We trained older adults with newly developed game-based inhibition training on a tablet for two months and compared them to an active and passive control group. Behavioural effects reflected in shorter stop signal response times were observed only in the inhibition-training group. This was accompanied by structural growth of right inferior frontal gyrus (rIFG) triangularis cortical thickness, a brain region that has been associated with response inhibition...
May 17, 2017: NeuroImage
https://www.readbyqxmd.com/read/28527584/a-combined-passive-and-active-musculoskeletal-model-study-to-estimate-l4-l5-load-sharing
#8
F Azari, N Arjmand, A Shirazi-Adl, T Rahimi-Moghaddam
A number of geometrically-detailed passive finite element (FE) models of the lumbar spine have been developed and validated under in vitro loading conditions. These models are devoid of muscles and thus cannot be directly used to simulate in vivo loading conditions acting on the lumbar joint structures or spinal implants. Gravity loads and muscle forces estimated by a trunk musculoskeletal (MS) model under twelve static activities were applied to a passive FE model of the L4-L5 segment to estimate load sharing among the joint structures (disc, ligaments, and facets) under simulated in vivo loading conditions...
May 11, 2017: Journal of Biomechanics
https://www.readbyqxmd.com/read/28527468/insight-into-electric-field-induced-rupture-mechanism-of-water-in-toluene-emulsion-films-from-a-model-system
#9
Desislava Dimova, Stoyan Pisov, Nikolay Panchev, Miroslava Nedyalkova, Sergio Madurga, Ana Proykova
This paper presents a model, which we have designed to get insight into the development of electro-induced instability of a thin toluene emulsion film in contact with the saline aqueous phase. Molecular dynamics (MD) simulations demonstrate the role of charge accumulation in the toluene-film rupture induced by a DC electric field. Two ensembles-NVT and NPT-are used to determine the critical value of the external field at which the film ruptures, the charge distribution and capacitance of the thin film, number densities, and the film structure...
May 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28527414/structural-characterization-and-discrimination-of-the-paris-polyphylla-var-yunnanensis-and-paris-vietnamensis-based-on-metabolite-profiling-analysis
#10
Li-Ping Kang, Yuan-Yuan Huang, Zhi-Lai Zhan, Da-Hui Liu, Hua-Sheng Peng, Tie-Gui Nan, Yuan Zhang, Qing-Xiu Hao, Jin-Fu Tang, Shou-Dong Zhu, Guang Yang, Lan-Ping Guo, Min Chen, Lu-Qi Huang
This study aimed to distinguish the rhizomes of Paris polyphylla var. yunnanensis (Franch) Hand Mazz (PPY) and Paris veitnamensis (Takht.) H. Li (PV) using metabolomics-based ultra high-performance liquid chromatography coupled with quadrupole time-of-fligh mass spectrometry (UHPLC/Q-TOF MS). First, the UHPLC/Q-TOF MS approach was optimized for metabolite profiling. Then, the MS data were processed using UNIFI™ combined with an in-house library to automatically characterize the metabolites. Based on the exact mass information, the fragmentation characteristics, and the retention time of compounds, and the fragmentation mechanism and retention behavior of steroidal glycosides in the references, the structures identified by UNIFI were further verified...
May 11, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28527154/structure-based-classification-for-bile-salt-export-pump-bsep-inhibitors-using-comparative-structural-modeling-of-human-bsep
#11
Sankalp Jain, Melanie Grandits, Lars Richter, Gerhard F Ecker
The bile salt export pump (BSEP) actively transports conjugated monovalent bile acids from the hepatocytes into the bile. This facilitates the formation of micelles and promotes digestion and absorption of dietary fat. Inhibition of BSEP leads to decreased bile flow and accumulation of cytotoxic bile salts in the liver. A number of compounds have been identified to interact with BSEP, which results in drug-induced cholestasis or liver injury. Therefore, in silico approaches for flagging compounds as potential BSEP inhibitors would be of high value in the early stage of the drug discovery pipeline...
May 19, 2017: Journal of Computer-aided Molecular Design
https://www.readbyqxmd.com/read/28527150/development-of-in-silico-protocols-to-predict-structural-insights-into-the-metabolic-activation-pathways-of-xenobiotics
#12
M Kalim A Khan, Salman Akhtar, Jamal M Arif
To establish in silico model to predict the structural insight into the metabolic bioactivation pathway of xenobiotics, we considered two specific and one non-specific mammary procarcinogen [e.g., dibenzo[a,l]pyrene (DBP), 7,12-dimethylbenz[a]anthracene (DMBA), and benzo[a]pyrene (BP)]. The CYP1A1, 1B1, 2C9, 1A2 and 2B6 reported in wet-lab studies to actively metabolize DBP also showed strong binding energies (kcal/mol) of -11.50, -10.67, -10.37, -9.76 and -9.72, respectively, with inhibition constants ranging between 0...
May 19, 2017: Interdisciplinary Sciences, Computational Life Sciences
https://www.readbyqxmd.com/read/28526980/a-multiomics-approach-to-study-the-microbiome-response-to-phytoplankton-blooms
#13
REVIEW
Liyan Song
Phytoplankton blooms are predictable features of marine and freshwater habitats. Despite a good knowledge base of the environmental factors controlling blooms, complex interactions between the bacterial and archaeal communities and phytoplankton bloom taxa are only now emerging. Here, the current research on bacterial community's structural and functional response to phytoplankton blooms is reviewed and discussed and further research is proposed. More attention should be paid on structure and function of autotrophic bacteria and archaea during phytoplankton blooms...
May 19, 2017: Applied Microbiology and Biotechnology
https://www.readbyqxmd.com/read/28526816/delineation-of-b-cell-epitopes-of-salmonella-enterica-serovar-typhi-hemolysin-e-potential-antibody-therapeutic-target
#14
Chai Fung Chin, Jing Yi Lai, Yee Siew Choong, Amy Amilda Anthony, Asma Ismail, Theam Soon Lim
Hemolysin E (HlyE) is an immunogenic novel pore-forming toxin involved in the pathogenesis of typhoid fever. Thus, mapping of B-cell epitopes of Salmonella enterica serovar Typhi (S. Typhi) is critical to identify key immunogenic regions of HlyE. A random 20-mer peptide library was used for biopanning with enriched anti-HlyE polyclonal antibodies from typhoid patient sera. Bioinformatic tools were used to refine, analyze and map the enriched peptide sequences against the protein to identify the epitopes. The analysis identified both linear and conformational epitopes on the HlyE protein...
May 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28526744/combining-properties-of-different-classes-of-pi3k%C3%AE-inhibitors-to-understand-molecular-features-that-confer-selectivity
#15
Grace Q Gong, Jackie D Kendall, James Mj Dickson, Gordon W Rewcastle, Christina M Buchanan, William A Denny, Peter R Shepherd, Jack U Flanagan
Phosphoinositide 3-kinases (PI3K) are major regulators of many cellular functions, and hyperactivation of PI3K cell signalling pathways is a major target for anticancer drug discovery. PI3Kα is the isoform most implicated in cancer, and our aim is to selectively inhibit this isoform, which may be more beneficial than concurrent inhibition of all Class I PI3Ks. We have used structure-guided design to merge high selectivity and high affinity characteristics found in existing compounds. Molecular docking including the prediction of water-mediated interactions, was used to model interactions between the ligands and the PI3Kα affinity pocket...
May 19, 2017: Biochemical Journal
https://www.readbyqxmd.com/read/28526644/simple-tumor-localization-scale-for-estimating-management-outcome-of-intracranial-meningioma
#16
Bruno Splavski, Irina Bagic, Vjenceslav Vrtaric, Brano Splavski
OBJECTIVE: Intracranial meningiomas are typically benign extracerebral tumors derived from dural arachnoid cells. Predominantly, these tumors are effectively managed surgically, but the prognosis is heavily dependent on tumors' histological heterogeneity and its location. It is known that reproductive and hormonal factors increase the risk for meningioma in adult females, but their prognostic value still remains controversial. This study's aim was to examine possible correlation between tumor location and outcome, and to evaluate prognostic value of the proposed simple tumor localization scale in predicting the management outcome of intracranial meningioma...
May 16, 2017: World Neurosurgery
https://www.readbyqxmd.com/read/28526475/identification-and-preliminary-structure-activity-relationships-of-1-indanone-derivatives-as-novel-indoleamine-2-3-dioxygenase-1-ido1-inhibitors
#17
Dingding Gao, Yingxia Li
Indoleamine 2,3-dioxygenase 1 (IDO1) plays a vital role in the catabolism of tryptophan along with the kynurenine pathway which is involved in many human diseases including cancer, Alzheimer's disease, etc. In this study, compound 1 bearing a 1-Indanone scaffold was identified as a novel IDO1 inhibitor by structure-based virtual screening, with moderate to good enzymatic and cellular inhibitory activities. Also, surface plasmon resonance analysis validated the direct interaction between compound 1 and IDO1 protein...
May 10, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28526437/a-fiber-distribution-model-for-predicting-drug-release-rates
#18
D G Petlin, A A Amarah, S I Tverdokhlebov, Y G Anissimov
Sustained drug release can be achieved by loading a drug into polymer material. The drug release can then be controlled for potential use in various biomedical applications. A model for drug release from a polymeric fibrous scaffold, which takes into account the distribution of fiber diameters within its structure, is developed here. It is demonstrated that the fiber diameter distribution significantly affects the drug release profile from electrospun scaffolds. The developed model indicates that altering the fiber distribution can be used as an additional tool to achieve an appropriate drug release profile...
May 16, 2017: Journal of Controlled Release: Official Journal of the Controlled Release Society
https://www.readbyqxmd.com/read/28526297/modeling-the-structure-of-keratin-1-and-10-terminal-domains-and-their-misassembly-in-keratoderma
#19
Cedric Badowski, Adelene Y L Sim, Chandra Verma, Ildikó Szeverényi, Chidambaram Natesavelalar, Ana Terron-Kwiatkowski, John Harper, Edel A O'Toole, E Birgitte Lane
The terminal domains of suprabasal keratins of the skin epithelium are very resistant to evidence-based structural analysis because of their inherent flexibility and lack of predictable structure. We present a model for the structure and interactions of the head and tail domains of epidermal keratins K1 and K10, based on all-atom 3D simulations of keratin primary amino acid sequences, and tyrosine phosphorylation predictions, extracted from published databases. We observed that K1 and K10 end domains are likely to form a tetrameric terminal domain complex (TTDC) incorporating a reversibly extendable region potentially acting as a molecular spring...
May 16, 2017: Journal of Investigative Dermatology
https://www.readbyqxmd.com/read/28525989/determination-of-genetic-effects-of-atf3-and-cdkn1a-genes-on-milk-yield-and-compositions-in-chinese-holstein-population
#20
REVIEW
Bo Han, Weijun Liang, Lin Liu, Yanhua Li, Dongxiao Sun
BACKGROUND: Our previous RNA-sequencing study revealed that the ATF3 and CDKN1A genes were remarkably differentially expressed between the mammary glands of lactating Holstein cows with extremely high and low milk protein and fat percentage so that both of them were considered as candidates for milk composition. Herein, we further verified whether these genes have genetic effects on milk production traits in a Chinese Holstein cow population. RESULTS: By re-sequencing the entire coding and regulatory regions, we identified four SNPs in 5'promoter region, two in exons, seven in 3' un-translated region (UTR), and six in 3'flanking region of ATF3 gene, and one SNP in exon 5, two in 3'UTR, and two in 3'flanking region of CDKN1A gene...
May 19, 2017: BMC Genetics
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