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https://www.readbyqxmd.com/read/28636682/excited-state-characterization-of-carbonyl-containing-carotenoids-a-comparison-between-single-and-multireference-descriptions
#1
Riccardo Spezia, Stefan Knecht, Benedetta Mennucci
Carotenoids can play multiple roles in biological photoreceptors thanks to their rich photophysics. In the present work, we have investigated six of the most common carbonyl containing carotenoids: echinenone, canthaxanthin, astaxanthin, fucoxanthin, capsanthin and capsorubin. Their excitation properties are investigated by means of a hybrid density functional theory (DFT) and multireference configuration interaction (MRCI) approach to elucidate the role of the carbonyl group: the bright transition is of ππ* character, as expected, but the presence of a C[double bond, length as m-dash]O moiety reduces the energy of nπ* transitions which may become closer to the ππ* transition, in particular as the conjugation chain decreases...
June 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28636572/mood-symptoms-in-stabilized-patients-with-schizophrenia-a-bipolar-type-with-predominant-psychotic-features
#2
Konstantinos N Fountoulakis, Dina Popovic, Mariela Mosheva, Melina Siamouli, Katerina Moutou, Xenia Gonda
BACKGROUND: Schizophrenia (SZ) and bipolar disorder (BD) are traditionally distinguished on the basis of progressive deterioration and long-term outcome, but a more dimensional approach is warranted. There are limited data on the occurrence of manic symptoms in patients with schizophrenia. The aim of the current study was to search for patterns in the clinical symptomatology, which may suggest the presence of one or several mood disorders under the label of schizophrenia. SUBJECTS AND METHODS: Hundred-seventy-five patients diagnosed with schizophrenia according to DSM-5 were included in the study...
June 2017: Psychiatria Danubina
https://www.readbyqxmd.com/read/28636351/heats-of-formation-of-medium-size-organic-compounds-from-contemporary-electronic-structure-methods
#3
Yury Minenkov, Heng Wang, Zhandong Wang, S Mani Sarathy, Luigi Cavallo
Computational electronic structure calculations are routinely undertaken to predict thermodynamic properties of the various species. However, the application of highly accurate wave function theory methods, such as the "gold standard" coupled cluster approach including single, double and partly triple excitations in perturbative fashion, CCSD(T), to large molecules is limited due to high computational cost. In this work, the promising domain based local pair natural orbital coupled cluster approach, DLPNO-CCSD(T), has been tested to reproduce 113 accurate formation enthalpies of medium-size molecules (few dozens heavy atoms) important for bio- and combustion chemistry via the reaction based Feller-Peterson-Dixon approach...
June 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28636113/linking-re-i-and-pt-ii-chromophores-with-aminopyridines-a-simple-route-to-achieve-a-complicated-photophysical-behavior
#4
Igor O Koshevoy, Kristina S Kisel, Alexei S Melnikov, Elena V Grachova, Pipsa Hirva, Sergey P Tunik
The bifunctional aminopyridine ligands H2N-(CH2)n-4-C5H4N (n = 0, L1; 1, L2; 2, L3) have been utilized for the preparation of rhenium complexes [Re(phen)(CO)3(L1-L3)]+ (1-3). 2 and 3 with NH2-coordinated L2/L3 were coupled with cycloplatinated motifs {Pt(ppy)Cl} and {Pt(dpyb)}+ to give the bimetallic species [Re(phen)(CO)3(μ-L2/L3)Pt(ppy)Cl]+ (4, 6) and [Re(phen)(CO)3(μ-L2/L3)Pt(dpyb)]2+ (5, 7). In solution, complexes 4 and 6 show 3MLCT {Re}-based emission at 298 K, which changes the parentage to 3IL(ppy) state at 77 K...
June 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28636041/fluorescence-properties-of-aurone-derivatives-an-experimental-and-theoretical-study-with-some-preliminary-biological-applications
#5
Christian Espinosa-Bustos, Diego Cortés-Arriagada, Marco A Soto-Arriaza, José Robinson-Duggon, Nancy Pizarro, Alan R Cabrera, Denis Fuentealba, Cristian O Salas
In this paper, we explored the fluorescence properties of eight aurone derivatives bearing methoxy groups and bromine atoms as substituents in the benzene rings. All derivatives showed strong solvatochromic absorption and emission properties in solvents of different polarities. Some of them showed high fluorescence quantum yields, which make them potential compounds for sensing applications. The position of the methoxy groups in the benzofuranone moiety and the presence of bromine atoms in the benzene ring had a strong influence on the fluorescence behaviour of the aurones...
June 21, 2017: Photochemical & Photobiological Sciences
https://www.readbyqxmd.com/read/28636028/supramolecular-functional-assemblies-dynamic-membrane-transporters-and-peptide-nanotubular-composites
#6
Alberto Fuertes, Marisa Juanes, Juan R Granja, Javier Montenegro
The fabrication of functional molecular devices constitutes one of the most important current challenges for chemical sciences. The complex processes accomplished by living systems continuously demand the assistance of non-covalent interactions between molecular building blocks. Additionally, these building blocks (proteins, membranes, nucleotides) are also constituted by self-assembled structures. Therefore, supramolecular chemistry is the discipline required to understand the properties of the minimal self-assembled building blocks of living systems and to develop new functional smart materials...
June 21, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28636018/fluorescence-lifetime-microscopy-reveals-the-biologically-related-photophysical-heterogeneity-of-oxyblepharismin-in-light-adapted-blue-blepharisma-japonicum-cells
#7
G Checcucci, B Storti, F Ghetti, G Signore, R Bizzarri
The step-up photophobic response of the heterotrich ciliate Blepharisma japonicum is mediated by a hypericinic pigment, blepharismin, which is not present in any of the known six families of photoreceptors, namely rhodopsins, phytochromes, xanthopsins, cryptochromes, phototropins, and BLUF proteins. Upon irradiation, native cells become light-adapted (blue) by converting blepharismin into the photochemically stable oxyblepharismin (OxyBP). So far, OxyBP has been investigated mainly from a photophysical point of view in vitro, either alone or complexed with proteins...
June 21, 2017: Photochemical & Photobiological Sciences
https://www.readbyqxmd.com/read/28635450/you-don-t-have-to-know-the-answers-to-write-poetry
#8
Molly Case
It's a great pleasure to be able to spend the next six months as the RCN's first ever writer in residence. My role is part of an exciting new project at the RCN Library and Archive called Service Scrapbooks: Nursing, Storytelling and the First World War, which is funded by a £60,600 grant from the Heritage Lottery Fund.
June 21, 2017: Nursing Standard
https://www.readbyqxmd.com/read/28635326/encapsulins-molecular-biology-of-the-shell
#9
Robert J Nichols, Caleb Cassidy-Amstutz, Thawatchai Chaijarasphong, David F Savage
Compartmentalization is both a fundamental principle of cellular organization and an emerging theme in prokaryotic biology. Work in the past few decades has shown that protein-based organelles called microcompartments enhance the function of encapsulated cargo proteins. More recently, the repertoire of known prokaryotic organelles has expanded beyond microcompartments to include a new class of smaller proteinaceous compartments, termed nanocompartments (also known as encapsulins). Nanocompartments are icosahedral capsids that are smaller and less complex than microcompartments...
June 21, 2017: Critical Reviews in Biochemistry and Molecular Biology
https://www.readbyqxmd.com/read/28635288/color-control-of-pr-3-luminescence-by-electron-hole-recombination-energy-transfer-in-catio3-and-cazro3
#10
Zoila Barandiaran, Marco Bettinelli, Luis Seijo
Controlling luminescence in phosphors able to produce several emissions from different stable excited states determines their use in optical devices. We investigate the color control mechanism that quenches the greenish-blue emission in favor of the red one in the archetype phosphor CaTiO3:Pr(3+). State-of-the-art ab initio calculations indicate that direct host-to-dopant energy transfer (released by electron-hole recombination following the interband excitation and structural reorganization) selectively populates the (1)D2 red luminescent state of Pr(3+) and bypasses the (3)P0 greenish-blue emitter...
June 21, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28635254/sudoku-like-lab-on-paper-cyto-device-with-dual-enhancement-of-electrochemiluminescence-intermediates-strategy
#11
Hongmei Yang, Yan Zhang, Li Li, Lina Zhang, Feifei Lan, Jinghua Yu
This paper describes the design and construction of sudoku-like lab-on-paper platform, in which dual enhancement of reaction intermediates strategy was incorporated for multiplexed competitive electrochemiluminescence (ECL) cyto-assay. Benefit from the sudoku-like structure, integrated multifunction were obtained on such elaborately devised platform, including specific reagents storage, multiple samples immobilization, residual automatic washing, and signal collection. By utilizing semicarbazide (SE) and silver nanoparticles (AgNPs) as dual enhancers, more ECL intermediates could be obtained in the graphene quantum dots (GQDs) and peroxydisulfate system, resulting in the production of more excited state GQDs to emit light...
June 21, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28635187/the-viologen-cation-radical-pimer-a-case-of-dispersion-driven-bonding
#12
Margarita Geraskina, Andrew S Dutton, Mark Juetten, Samuel Wood, Arthur Winter
Pi bonds between organic radicals have generated recent excitement as an orthogonal interaction for designing self-assembling architectures in water. Here, we provide the first a systematic investigation of the effect of the viologen cation radical structure on the strength and nature of the pimer bond. A striking and unexpected feature of the this pi bond is that the bond strength is unchanged by substitution with electron-donating groups or withdrawing groups or with increased conjugation. Furthermore, the interaction is undiminished by sterically bulky N-alkyl groups...
June 20, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28634831/malaria-2017-update-on-the-clinical-literature-and-management
#13
REVIEW
Johanna P Daily
PURPOSE OF REVIEW: Malaria is a prevalent disease in travelers to and residents of malaria-endemic regions. Health care workers in both endemic and non-endemic settings should be familiar with the latest evidence for the diagnosis, management and prevention of malaria. This article will discuss the recent malaria epidemiologic and medical literature to review the progress, challenges, and optimal management of malaria. RECENT FINDINGS: There has been a marked decrease in malaria-related global morbidity and mortality secondary to malaria control programs over the last few decades...
June 20, 2017: Current Infectious Disease Reports
https://www.readbyqxmd.com/read/28634405/shedding-new-light-on-an-old-molecule-quinophthalone-displays-uncommon-n-to-o-excited-state-intramolecular-proton-transfer-esipt-between-photobases
#14
Gi Rim Han, Doyk Hwang, Seunghoon Lee, Jong Woo Lee, Eunhak Lim, Jiyoung Heo, Seong Keun Kim
Excited state dynamics of common yellow dye quinophthalone (QPH) was probed by femtosecond transient absorption spectroscopy. Multi-exponential decay of the excited state and significant change of rate constants upon deuterium substitution indicate that uncommon nitrogen-to-oxygen excited state intramolecular proton transfer (ESIPT) occurs. By performing density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, we found that adiabatic surface crossing between the S1 and S2 states takes place in the photoreaction...
June 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28634269/human-development-heredity-and-evolution
#15
REVIEW
Ryuichi Nishinakamura, Minoru Takasato
From March 27-29 2017, the RIKEN Center for Developmental Biology held a symposium entitled 'Towards Understanding Human Development, Heredity, and Evolution' in Kobe, Japan. Recent advances in technologies including stem cell culture, live imaging, single-cell approaches, next-generation sequencing and genome editing have led to an expansion in our knowledge of human development. Organized by Yoshiya Kawaguchi, Mitinori Saitou, Mototsugu Eiraku, Tomoya Kitajima, Fumio Matsuzaki, Takashi Tsuji and Edith Heard, the symposium covered a broad range of topics including human germline development, epigenetics, organogenesis and evolution...
June 15, 2017: Development
https://www.readbyqxmd.com/read/28634266/30-years-of-the-mineralocorticoid-receptor-the-brain-mineralocorticoid-receptor-a-saga-in-three-episodes
#16
REVIEW
Marian Joëls, E Ronald de Kloet
In 1968, Bruce McEwen discovered that (3)H-corticosterone administered to adrenalectomised rats is retained in neurons of hippocampus rather than those of hypothalamus. This discovery signalled the expansion of endocrinology into the science of higher brain regions. With this in mind, our contribution highlights the saga of the brain mineralocorticoid receptor (MR) in three episodes. First, the precloning era dominated by the conundrum of two types of corticosterone-binding receptors in the brain, which led to the identification of the high-affinity corticosterone receptor as the 'promiscuous' MR cloned in 1987 by Jeff Arriza and Ron Evans in addition to the classical glucocorticoid receptor (GR)...
July 2017: Journal of Endocrinology
https://www.readbyqxmd.com/read/28634153/beyond-basic-feedback-in-mobile-brief-interventions-designing-sms-message-content-for-delivery-to-young-adults-during-risky-drinking-events
#17
Cassandra J C Wright, Paul M Dietze, Megan S C Lim
BACKGROUND: Brief interventions can reduce alcohol consumption in young people through screening and delivery of personally relevant feedback. Recently, Web and mobile platforms have been harnessed to increase the reach of brief interventions. Existing literature on mobile-based alcohol brief interventions indicates mixed use of theory in developing interventions. There is no research available to guide the development of SMS text messaging (short message service, SMS) interventions delivered during risky drinking events...
June 20, 2017: JMIR MHealth and UHealth
https://www.readbyqxmd.com/read/28634087/treatment-with-levetiracetam-improves-cognition-in-a-ketamine-rat-model-of-schizophrenia
#18
Ming Teng Koh, Yi Shao, Sharon Rosenzweig-Lipson, Michela Gallagher
Imbalance in neural excitation and inhibition is associated with behavioral dysfunction in individuals with schizophrenia and at risk for this illness. We examined whether targeting increased neural activity with the antiepileptic agent, levetiracetam, would benefit memory performance in a preclinical model of schizophrenia that has been shown to exhibit hyperactivity in the hippocampus. Adult rats exposed to ketamine subchronically during late adolescence showed impaired hippocampal-dependent memory performance...
June 17, 2017: Schizophrenia Research
https://www.readbyqxmd.com/read/28633996/effects-of-monoaminergic-drugs-on-training-induced-motor-cortex-plasticity-in-older-adults
#19
Trisha M Kesar, Samir R Belagaje, Paola Pergami, Marc W Haut, Gerald Hobbs, Cathrin M Buetefisch
Primary motor cortex (M1) plasticity is involved in motor learning and stroke motor recovery, and enhanced by increasing monoaminergic transmission. Age impacts these processes but there is a paucity of systematic studies on the effects of monoaminergic drugs in older adults. Here, in ten older adults (age 61+ 4 years, 4 males), we determine the effects of a single oral dose of carbidopa/levodopa (DOPA), d-amphetamine (AMPH), methylphenidate (MEPH) and placebo (PLAC) on M1 excitability and motor training-induced M1 plasticity...
June 17, 2017: Brain Research
https://www.readbyqxmd.com/read/28633971/manganese-enhanced-magnetic-resonance-imaging-depicts-brain-activity-in-models-of-acute-and-chronic-pain-a-new-window-to-study-experimental-spontaneous-pain
#20
I M Devonshire, J J Burston, L Xu, A Lillywhite, M J Prior, D J G Watson, C M Greenspon, S J Iwabuchi, D P Auer, V Chapman
Application of functional imaging techniques to animal models is vital to understand pain mechanisms, but is often confounded by the need to limit movement artefacts with anaesthesia, and a focus on evoked responses rather than clinically relevant spontaneous pain and related hyperalgesia. The aim of the present study was to investigate the potential of manganese-enhanced magnetic resonance imaging (MEMRI) to measure neural responses during on-going pain that underpins hyperalgesia in pre-clinical models of nociception...
June 17, 2017: NeuroImage
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