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https://www.readbyqxmd.com/read/28334825/the-impact-of-base-stacking-on-the-conformations-and-electrostatics-of-single-stranded-dna
#1
Alex Plumridge, Steve P Meisburger, Kurt Andresen, Lois Pollack
Single-stranded DNA (ssDNA) is notable for its interactions with ssDNA binding proteins (SSBs) during fundamentally important biological processes including DNA repair and replication. Previous work has begun to characterize the conformational and electrostatic properties of ssDNA in association with SSBs. However, the conformational distributions of free ssDNA have been difficult to determine. To capture the vast array of ssDNA conformations in solution, we pair small angle X-ray scattering with novel ensemble fitting methods, obtaining key parameters such as the size, shape and stacking character of strands with different sequences...
February 25, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28332053/modeling-pathways-of-character-development-across-the-first-three-decades-of-life-an-application-of-integrative-data-analysis-techniques-to-understanding-the-development-of-hopeful-future-expectations
#2
Kristina Schmid Callina, Sara K Johnson, Jonathan M Tirrell, Milena Batanova, Michelle B Weiner, Richard M Lerner
There were two purposes of the present research: first, to add to scholarship about a key character virtue, hopeful future expectations; and second, to demonstrate a recent innovation in longitudinal methodology that may be especially useful in enhancing the understanding of the developmental course of hopeful future expectations and other character virtues that have been the focus of recent scholarship in youth development. Burgeoning interest in character development has led to a proliferation of short-term, longitudinal studies on character...
March 22, 2017: Journal of Youth and Adolescence
https://www.readbyqxmd.com/read/28332052/the-varieties-of-character-and-some-implications-for-character-education
#3
Jason Baehr
The moral and civic dimensions of personal character have been widely recognized and explored. Recent work by philosophers, psychologists, and education theorists has drawn attention to two additional dimensions of character: intellectual character and "performance" character. This article sketches a "four-dimensional" conceptual model of personal character and some of the character strengths or "virtues" proper to each dimension. In addition to exploring how the dimensions of character are related to each other, the article also examines the implications of this account for character education undertaken in a youth or adolescent context...
March 22, 2017: Journal of Youth and Adolescence
https://www.readbyqxmd.com/read/28299927/supramolecular-hydrogels-based-on-dna-self-assembly
#4
Yu Shao, Haoyang Jia, Tianyang Cao, Dongsheng Liu
Extracellular matrix (ECM) provides essential supports three dimensionally to the cells in living organs, including mechanical support and signal, nutrition, oxygen, and waste transportation. Thus, using hydrogels to mimic its function has attracted much attention in recent years, especially in tissue engineering, cell biology, and drug screening. However, a hydrogel system that can merit all parameters of the natural ECM is still a challenge. In the past decade, deoxyribonucleic acid (DNA) has arisen as an outstanding building material for the hydrogels, as it has unique properties compared to most synthetic or natural polymers, such as sequence designability, precise recognition, structural rigidity, and minimal toxicity...
March 16, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28297929/flexible-dynamics-of-two-quorum-sensing-coupled-repressilators
#5
Edward H Hellen, Evgeny Volkov
Genetic oscillators play important roles in cell life regulation. The regulatory efficiency usually depends strongly on the emergence of stable collective dynamic modes, which requires designing the interactions between genetic networks. We investigate the dynamics of two identical synthetic genetic repressilators coupled by an additional plasmid which implements quorum sensing (QS) in each network thereby supporting global coupling. In a basic genetic ring oscillator network in which three genes inhibit each other in unidirectional manner, QS stimulates the transcriptional activity of chosen genes providing for competition between inhibitory and stimulatory activities localized in those genes...
February 2017: Physical Review. E
https://www.readbyqxmd.com/read/28294278/controlling-adsorption-and-passivation-properties-of-bovine-serum-albumin-on-silica-surfaces-by-ionic-strength-modulation-and-cross-linking
#6
Jae Hyeon Park, Tun Naw Sut, Joshua A Jackman, Abdul Rahim Ferhan, Bo Kyeong Yoon, Nam-Joon Cho
Understanding the physicochemical factors that influence protein adsorption onto solid supports holds wide relevance for fundamental insights into protein structure and function as well as for applications such as surface passivation. Ionic strength is a key parameter that influences protein adsorption, although how its modulation might be utilized to prepare well-coated protein adlayers remains to be explored. Herein, we investigated how ionic strength can be utilized to control the adsorption and passivation properties of bovine serum albumin (BSA) on silica surfaces...
March 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28245928/evaluation-of-dental-adhesive-systems-incorporating-an-antibacterial-monomer-eugenyl-methacrylate-egma-for-endodontic-restorations
#7
A Almaroof, S A Niazi, L Rojo, F Mannocci, S Deb
OBJECTIVE: The purpose of this study was to incorporate EgMA, an antibacterial monomer into two commercial dental adhesive systems for their application in endodontic restoration with the aim to disinfect the root canal space before curing and to inhibit bacterial growth on their surfaces after being cured. METHODS: EgMA monomer was added at 20%wt. into the formulation of the single-component self-etch, Clearfil Universal Bond™ (CUB) and into the catalyst and the adhesive components of the total-etch Adper Scotchbond-multipurpose™ (SBMP) adhesive systems...
February 25, 2017: Dental Materials: Official Publication of the Academy of Dental Materials
https://www.readbyqxmd.com/read/28245022/computation-provides-chemical-insight-into-the-diverse-hydride-nmr-chemical-shifts-of-ru-nhc-4-l-h-0-species-nhc-n-heterocyclic-carbene-l-vacant-h2-n2-co-mecn-o2-p4-so2-h-f-and-cl-and-their-ru-r2pch2ch2pr2-2-l-h-congeners
#8
L Jonas L Häller, Elena Mas-Marzá, Mateusz K Cybulski, Rajashekharayya A Sanguramath, Stuart A Macgregor, Mary F Mahon, Christophe Raynaud, Christopher A Russell, Michael K Whittlesey
Relativistic density functional theory calculations, both with and without the effects of spin-orbit coupling, have been employed to model hydride NMR chemical shifts for a series of [Ru(NHC)4(L)H](0/+) species (NHC = N-heterocyclic carbene; L = vacant, H2, N2, CO, MeCN, O2, P4, SO2, H(-), F(-) and Cl(-)), as well as selected phosphine analogues [Ru(R2PCH2CH2PR2)2(L)H](+) (R = (i)Pr, Cy; L = vacant, O2). Inclusion of spin-orbit coupling provides good agreement with the experimental data. For the NHC systems large variations in hydride chemical shift are shown to arise from the paramagnetic term, with high net shielding (L = vacant, Cl(-), F(-)) being reinforced by the contribution from spin-orbit coupling...
February 28, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28243529/how-patch-size-and-refuge-availability-change-interaction-strength-and-population-dynamics-a-combined-individual-and-population-based-modeling-experiment
#9
Yuanheng Li, Ulrich Brose, Katrin Meyer, Björn C Rall
Knowledge on how functional responses (a measurement of feeding interaction strength) are affected by patch size and habitat complexity (represented by refuge availability) is crucial for understanding food-web stability and subsequently biodiversity. Due to their laborious character, it is almost impossible to carry out systematic empirical experiments on functional responses across wide gradients of patch sizes and refuge availabilities. Here we overcame this issue by using an individual-based model (IBM) to simulate feeding experiments...
2017: PeerJ
https://www.readbyqxmd.com/read/28240333/bonding-induced-thermal-transport-enhancement-across-a-hard-soft-material-interface-using-molecular-monolayers
#10
Chao Yuan, Mengyu Huang, Yanhua Cheng, Xiaobing Luo
Manipulating thermal transport across hard/soft material interfaces is important for composites which are critical for a wide range of applications, including electronic packaging, thermal storage, sensors and medicine. To increase the interfacial thermal conductance (Gint), a previous strategy has focused on using a self-assembled monolayer (SAM) to bridge the phonon spectra mismatch between the materials constituting the interface. Here, we introduce a general strategy aiming for interfaces which are incompatible with the previous strategy...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28211717/isomeric-character-of-the-lowest-observed-4-state-in-44-s
#11
J J Parker, I Wiedenhöver, P D Cottle, J Baker, D McPherson, M A Riley, D Santiago-Gonzalez, A Volya, V M Bader, T Baugher, D Bazin, A Gade, T Ginter, H Iwasaki, C Loelius, C Morse, F Recchia, D Smalley, S R Stroberg, K Whitmore, D Weisshaar, A Lemasson, H L Crawford, A O Macchiavelli, K Wimmer
Previous experiments observed a 4^{+} state in the N=28 nucleus ^{44}S and suggested that this state may exhibit a hindered E2-decay rate, inconsistent with being a member of the collective ground state band. We populate this state via two-proton knockout from a beam of exotic ^{46}Ar projectiles and measure its lifetime using the recoil distance method with the GRETINA γ-ray spectrometer. The result, 76(14)_{stat}(20)_{syst}  ps, implies a hindered transition of B(E2;4^{+}→2_{1}^{+})=0.61(19) single-particle or Weisskopf units strength and supports the interpretation of the 4^{+} state as a K=4 isomer, the first example of a high-K isomer in a nucleus of such low mass...
February 3, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28181047/purpose-and-character-development-in-early-adolescence
#12
Heather Malin, Indrawati Liauw, William Damon
Character development in adolescence is of growing interest among psychology researchers and educators, yet there is little consensus about how character should be defined and studied among developmental scientists. In particular, there is no fully developed framework for investigating the developmental relationships among different character strengths. This study examines the developmental relations between purpose and three other key character strengths that emerge during early adolescence: gratitude, compassion, and grit...
February 8, 2017: Journal of Youth and Adolescence
https://www.readbyqxmd.com/read/28181015/a-density-functional-theory-investigation-of-the-interaction-of-the-tetraaqua-calcium-cation-with-bidentate-carbonyl-ligands
#13
Daniel Garcez S Quattrociocchi, Marcos Vinicius Monsores Meuser, Glaucio Braga Ferreira, José Walkimar de M Carneiro, Stanislav R Stoyanov, Leonardo Moreira da Costa
Calcium complexes with bidentate carbonyl ligands are important in biological systems, medicine and industry, where the concentration of Ca(2+) is controlled using chelating ligands. The exchange of two water molecules of [Ca(H2O)6](2+) for one bidentate monosubstituted and homo disubstituted dicarbonyl ligand was investigated using the B3LYP/6-311++G(d,p) method. The ligand substituents NH2, OCH3, OH, CH3, H, F, Cl, CN and NO2 are functional groups with distinct electron-donating and -withdrawing effects that bond directly to the sp(2) C atom of the carbonyl group...
February 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28161777/reactivity-of-phosphorene-with-a-3d-element-trioxide-cro3-considering-van-der-waals-molecular-interactions-a-dft-d2-study
#14
Pamela Rubio-Pereda, Gregorio H Cocoletzi
First-principle calculations are performed to investigate the interaction between clean black phosphorene and the CrO3 molecule which is known to be a powerful oxidizer and a suspected carcinogen. Van der Waals forces are included in all calculations through empirical corrections. Energetics studies are first done to determine the structural stability. Then charge density, Löwdin population analysis and electronic states are evaluated. Results show that the CrO3 molecule, with an acceptor electron character, is chemisorbed on the phosphorene surface inducing minimal geometrical distortions, however, after adsorption, a partial charge gradient is produced between the P atoms located at the phosphorene upper and lower planes...
February 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28157717/structure-and-properties-of-polycaprolactone-chitosan-nonwovens-tailored-by-solvent-systems
#15
Olga Urbanek, Paweł Sajkiewicz, Filippo Pierini, Maciej Czerkies, Dorota Kołbuk
Electrospinning of chitosan blends is a reasonable idea to prepare fibre mats for biomedical applications. Synthetic and natural components provide, for example, appropriate mechanical strength and biocompatibility, respectively. However, solvent characteristics and the polyelectrolyte nature of chitosan influence the spinnability of these blends. In order to compare the effect of solvent on polycaprolactone/chitosan fibres, two types of the most commonly used solvent systems were chosen, namely 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) and acetic acid (AA)/formic acid (FA)...
February 3, 2017: Biomedical Materials
https://www.readbyqxmd.com/read/28157170/theoretical-study-of-intramolecular-interactions-in-peri-substituted-naphthalenes-chalcogen-and-hydrogen-bonds
#16
Goar Sánchez-Sanz, Ibon Alkorta, José Elguero
A theoretical study of the peri interactions, both intramolecular hydrogen (HB) and chalcogen bonds (YB), in 1-hydroxy-8YH-naphthalene, 1,4-dihydroxy-5,8-di-YH-naphthalene, and 1,5-dihydroxy-4,8-di-YH-naphthalene, with Y = O, S, and Se was carried out. The systems with a OH:Y hydrogen bond are the most stable ones followed by those with a chalcogen O:Y interaction, those with a YH:O hydrogen bond (Y = S and Se) being the least stable ones. The electron density values at the hydrogen bond critical points indicate that they have partial covalent character...
February 2, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28150897/connectivity-strength-weighted-sparse-group-representation-based-brain-network-construction-for-mci-classification
#17
Renping Yu, Han Zhang, Le An, Xiaobo Chen, Zhihui Wei, Dinggang Shen
Brain functional network analysis has shown great potential in understanding brain functions and also in identifying biomarkers for brain diseases, such as Alzheimer's disease (AD) and its early stage, mild cognitive impairment (MCI). In these applications, accurate construction of biologically meaningful brain network is critical. Sparse learning has been widely used for brain network construction; however, its l1 -norm penalty simply penalizes each edge of a brain network equally, without considering the original connectivity strength which is one of the most important inherent linkwise characters...
February 2, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28142246/everyday-worry-in-adolescents-with-and-without-chronic-pain-a-diary-study
#18
Emma Fisher, Edmund Keogh, Christopher Eccleston
Young people report frequent worry, but we know little about the extent, character, or consequence of worry in adolescence, or individual differences associated with worry. Adolescents with chronic pain are one population that are known to have high levels of anxiety, which is associated with higher levels of disability and depression, impairing function. In this study we report a diary study: adolescents (N = 60; aged 16-18) recorded their worry over seven days. Our first aim was to describe the characteristics of adolescent worry and its consequences in a community sample...
February 1, 2017: Psychology, Health & Medicine
https://www.readbyqxmd.com/read/28118683/care-co-ordination-for-older-people-in-the-third-sector-scoping-the-evidence
#19
REVIEW
Michele Abendstern, Jane Hughes, Rowan Jasper, Caroline Sutcliffe, David Challis
The third sector has played a significant role internationally in the delivery of adult social care services for many years. Its contribution to care co-ordination activities for older people, however, in England and elsewhere, is relatively unknown. A scoping review was therefore conducted to ascertain the character of the literature, the nature and extent of third sector care co-ordination activity, and to identify evidence gaps. It was undertaken between autumn 2013 and summer 2014 and updated with additional searches in 2016...
January 24, 2017: Health & Social Care in the Community
https://www.readbyqxmd.com/read/28112299/fluorescent-h-aggregates-of-an-asymmetrically-substituted-mono-amino-zn-ii-phthalocyanine
#20
Malgorzata Bayda, Fabienne Dumoulin, Gordon L Hug, Jacek Koput, Rafal Gorniak, Aleksandra Wojcik
The photophysical properties of a newly synthesized unsymmetrically substituted zinc phthalocyanine derivative (1) bearing in its peripheral positions six n-hexylsulfanyl substituents and one amino-terminated n-hexylsulfanyl substituent were investigated. This mono-amino phthalocyanine exhibited a high tendency to form H-type aggregates in all of the investigated solvents: dichloromethane (DCM), tetrahydrofuran (THF) and dimethyl sulfoxide (DMSO). Several species of H-aggregates were present together in relatively broad concentration ranges in THF and DCM, whereas in DMSO they were observed separately depending on the concentration used...
January 23, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
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