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https://www.readbyqxmd.com/read/28645309/herpes-simplex-virus-1-infects-the-olfactory-bulb-shortly-following-ocular-infection-and-exhibits-a-long-term-inflammatory-profile-in-the-form-of-effector-and-hsv-1-specific-t-cells
#1
Chandra M Menendez, Daniel J J Carr
BACKGROUND: Herpes simplex virus 1 (HSV-1) infection can result in a life-threatening condition known as herpes simplex encephalitis (HSE). Trafficking patterns by which the virus reaches the central nervous system (CNS) following ocular infection are unresolved. We evaluated early viral dissemination pathways following ocular infection that involve trafficking to the olfactory bulb (OB). Additionally, we have characterized the capacity of HSV-1 to establish latency within OB tissue and profiled the local T lymphocyte response over the course of the acute infection into latency...
June 23, 2017: Journal of Neuroinflammation
https://www.readbyqxmd.com/read/28645172/the-biogenesis-pathway-of-trna-derived-pirnas-in-bombyx-germ-cells
#2
Shozo Honda, Takuya Kawamura, Phillipe Loher, Keisuke Morichika, Isidore Rigoutsos, Yohei Kirino
Transfer RNAs (tRNAs) function in translational machinery and further serves as a source of short non-coding RNAs (ncRNAs). tRNA-derived ncRNAs show differential expression profiles and play roles in many biological processes beyond translation. Molecular mechanisms that shape and regulate their expression profiles are largely unknown. Here, we report the mechanism of biogenesis for tRNA-derived Piwi-interacting RNAs (td-piRNAs) expressed in Bombyx BmN4 cells. In the cells, two cytoplasmic tRNA species, tRNAAspGUC and tRNAHisGUG, served as major sources for td-piRNAs, which were derived from the 5΄-part of the respective tRNAs...
June 22, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28645043/in-vitro-and-in-vivo-behavior-of-dna-tetrahedrons-as-tumor-targeting-nanocarriers-for-doxorubicin-delivery
#3
Ji Hee Kang, Kyoung-Ran Kim, Hyukjin Lee, Dae-Ro Ahn, Young Tag Ko
Deoxyribonucleic acid (DNA) is a versatile material with high applicability and inherent biocompatibility. L-DNA, the perfect mirror form of the naturally occurring D-DNA, has been used in DNA nanotechnology. It has thermodynamically identical properties to D-DNA, is capable of self-assembly and bio-orthogonal base-pairing, and is resistant to nuclease activity. We previously constructed an L-DNA tetrahedron (L-Td) and found that this nanostructure has remarkably higher capacity for cell penetration than its natural counterpart (D-Td)...
June 16, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28644796/design-of-an-autonomous-social-orienting-training-system-asots-for-young-children-with-autism
#4
Zhi Zheng, Qiang Fu, Huan Zhao, Amy R Swanson, Amy S Weitlauf, Zachary E Warren, Nilanjan Sarkar
Social communication is among the core areas of impairment for children with Autism Spectrum Disorders (ASD). The training of social orientation is important for improving social communication of children with ASD. In recent years, technology-assisted ASD intervention had gained momentum due to its potential advantages in terms of precision, sustainability, flexibility and cost. In this paper, we propose a closed-loop autonomous computer system, named ASOTS, for training social orientation skills to young children with ASD...
June 2017: IEEE Transactions on Neural Systems and Rehabilitation Engineering
https://www.readbyqxmd.com/read/28644647/quasi-low-dimensional-electron-gas-with-one-populated-band-as-a-testing-ground-for-time-dependent-density-functional-theory-of-mesoscopic-systems
#5
Vladimir U Nazarov
We find an exact analytical solution to the exchange-only time-dependent density-functional theory (TDDFT) problem for a significant class of quasi-low-dimensional (QLD) materials: QLD electron gas with only one band filled in the direction perpendicular to the layer or wire. The theory yields the TD exchange potential as an explicit nonlocal operator of the TD spin density. The dressed interband (image states) excitation spectra of quasi-two-dimensional electron gas are obtained, while the comparison with the Kohn-Sham transitions provides insights into the qualitative and quantitative role of the many-body interactions...
June 9, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28643352/cesium-s-off-the-map-valence-orbital
#6
Maarten Goesten, Martin Rahm, Matthias Bickelhaupt, Emiel Hensen
The Td-symmetric [CsO4]+ ion, featuring Cs in an oxidation state of 9, is computed to be a minimum. Cs uses outer core 5s and 5p orbitals to bind the oxygens. The valence Cs 6s orbital lies too high to be involved in bonding, and contributes to Rydberg levels only. From a Molecular Orbital perspective, the bonding scheme reminds of XeO4: an octet of electrons to bind electronegative ligands, and no low-lying acceptor orbitals on the central atom. In this sense, Cs+ resembles hypervalent Xe.
June 22, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28643108/integrated-tk-td-modeling-for-drug-induced-concurrent-tachycardia-and-qt-changes-in-beagle-dogs
#7
Fan Wu, Tycho Heimbach, Panos Hatsis, Hai-Ming Tang, Raviprakash Dugyala, Qin Yue, Tao Wang, Handan He
Drug-induced cardiotoxicity, including tachycardia and QT prolongation, remains a major safety concern that needs to be identified and its risk mitigated in early stages of drug development. In the present study, an integrated toxicokinetic-toxicodynamic (TK-TD) modeling approach within a nonlinear mixed-effect modeling framework is applied to investigate concurrent abnormal heart rate and QT changes in three beagle dogs, using a Novartis internal compound (NVS001) as the case example. By accounting for saturable drug absorption, circadian rhythms, drug-effect tolerance, and nonlinear rate-dependency of QT interval, the dynamic TK-TD model captures the experimentally observed drug effects on heart rate and QT interval across a wide dosing range of NVS001 in beagle dogs...
June 22, 2017: Journal of Pharmacokinetics and Pharmacodynamics
https://www.readbyqxmd.com/read/28641443/dissecting-the-accountability-of-parameterized-and-parameter-free-single-hybrid-and-double-hybrid-functionals-for-photophysical-properties-of-tadf-based-oleds
#8
Mojtaba Alipour, Niloofar Karimi
Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) emitters are an attractive category of materials that have witnessed a booming development in recent years. In the present contribution, we scrutinize the accountability of parameterized and parameter-free single-hybrid (SH) and double-hybrid (DH) functionals through the two formalisms, full time-dependent density functional theory (TD-DFT) and Tamm-Dancoff approximation (TDA), for the estimation of photophysical properties like absorption energy, emission energy, zero-zero transition energy, and singlet-triplet energy splitting of TADF molecules...
June 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28641237/tunable-excited-state-intramolecular-proton-transfer-reactions-with-nh-or-oh-as-a-proton-donor-a-theoretical-investigation
#9
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/28641006/dft-simulation-of-structural-and-optical-properties-of-9-aminoacridine-half-sandwich-ru-ii-rh-iii-and-ir-iii-antitumoural-complexes-and-their-interaction-with-dna
#10
José Pedro Cerón-Carrasco, José Ruiz, Consuelo Vicente, Concepcion de Haro, Delia Bautista, Jose Zuniga, Alberto Requena
In this work, we use DFT-based methods to simulate the chemical structures, optical properties and interaction with DNA of a recently synthesized chelated CˆN 9-aminoacridine arene Ru (II) anticancer agent and two new closely related Rh(III) and Ir(III) complexes using DFT-based methods. Four chemical models and a number of theoretical approaches, which representatively include the PBE0, B97D, ωB97X, ωB97X-D, M06, and M06-L density functionals and the LANL2DZ, def2-SVP, def2- TZVP basis sets, are tested...
June 22, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28640303/novel-adenine-thymine-photodimerization-channels-mapped-by-pcm-td-dft-calculations-on-dapt-and-tpda-dinucleotides
#11
Lara Martínez-Fernández, Roberto Improta
Despite the biological relevance of AT-rich DNA sequences, the excited state paths associated with the photochemical reactions involving adenine and thymine stacked pairs have never been characterized, and the structure of the most abundant photoproduct in DNA is unknown. PCM/TD-M052X calculations on dApT and TpdA unveil the paths leading to the main photoproduct in TpdA, provide new insights into the reasons why it is not formed in dApT and show the existence of a new photochemical path, which could produce the precursor of the most abundant genomic AT/TA photoproduct...
June 22, 2017: Photochemical & Photobiological Sciences
https://www.readbyqxmd.com/read/28639213/study-on-photophysical-properties-of-n-arylphthalamic-acid-derivative-containing-1-2-4-triazole-scaffold
#12
K B Akshaya, Anitha Varghese, Y N Sudhakar, Prajwal Lourdes Lobo, Louis George
A novel N-arylphthalamic acid derivative, 2-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)benzoic acid (TMPCB) was synthesized and their absorption and emission spectra were recorded in fifteen different solvents of varying polarities at room temperature. Ground state dipole moment of the derivative was calculated experimentally by Guggenheim method and solvatochromic approach proposed by Bilot-Kawski. The singlet excited state dipole moment of TMPCB were calculated experimentally based on different approaches of solvent polarity function proposed by Lippert-Mataga, Bakhshiev, Kawskii-Chamma-Viallet, Reichardt and Bilot-Kawski...
June 21, 2017: Journal of Fluorescence
https://www.readbyqxmd.com/read/28638825/thyroid-dysfunction-in-non-interferon-treated-hepatitis-c-patients-residing-in-hepatitis-endemic-area
#13
Nayab Batool, Shan Elahi, Nazish Saleem, Abrar Ashraf
BACKGROUND: Association of thyroid dysfunction (TD) with interferon treatment of HCV is well known to clinicians. However, a few studies have highlighted the role of hepatitis C virus per se in the development of TD. The aim of this study was to know the prevalence of TD in non-interferon treated HCV infected patients referred for thyroid function testing. PATIENTS AND METHODS: Among 557 ELISA-positive HCV patients 446 (341 females, 105 males) were selected for this study...
2017: BioMed Research International
https://www.readbyqxmd.com/read/28638720/negative-emotion-evoked-by-viewing-snakes-has-a-motivating-effect-on-cognitive-processing-in-human-children-with-or-without-intellectual-disability
#14
Nobuo Masataka
BACKGROUND: It is well known that prioritization of the processing of threatening stimuli generally induces deleterious effects on task performance. However, a study recently reported that emotion (possibly fear) evoked by viewing images of snakes exerts a facilitating effect upon making judgments of the images' color in neurotypical adults and schoolchildren. Here, the author has attempted to confirm the relevance of this notion in children with and without intellectual disability. METHODS: The author here compared the reaction time required to name the colors of snake and flower images between children with Down syndrome (DS) and mental age matched, typically-developing (TD) children...
June 2017: Brain and Behavior
https://www.readbyqxmd.com/read/28638290/medication-induced-tardive-dyskinesia-a-review-and-update
#15
REVIEW
Elyse M Cornett, Matthew Novitch, Alan David Kaye, Vijay Kata, Adam M Kaye
BACKGROUND: Tardive dyskinesia (TD) is a movement disorder that causes involuntary, repetitive body movements and is commonly seen in patients who are on long-term treatment with antipsychotic medications. However, several other classes of medications with different mechanisms are also associated with TD. METHODS: We conducted a PubMed search using keywords and combined word searches that involved medication-induced TD, as well as agents that are associated with causing or are used to treat medication-induced TD...
2017: Ochsner Journal
https://www.readbyqxmd.com/read/28637804/bioactive-immune-components-of-anti-diarrheagenic-enterotoxigenic-e-coli-etec-hyperimmune-bovine-colostrum-products
#16
Khandra T Sears, Sharon M Tennant, Mardi K Reymann, Raphael Simon, Nicky Konstantopoulos, William C Blackwelder, Eileen M Barry, Marcela F Pasetti
Diarrhea is a common illness among travelers to resource-limited countries, the most prevalent attributable agent being enterotoxigenic Escherichia coli (ETEC). There are presently no vaccines licensed specifically for the prevention of ETEC-induced traveler's diarrhea (TD), and this has propelled investigation of alternative preventive methods. Colostrum, the first milk expressed after birthing, is rich in immunoglobulins and innate immune components for protection of newborns against infectious agents. Hyperimmune bovine colostrum (HBC) produced by immunization of cows during gestation (and containing high levels of specific antibodies) is a practical and effective prophylactic tool against gastrointestinal illnesses...
June 21, 2017: Clinical and Vaccine Immunology: CVI
https://www.readbyqxmd.com/read/28636113/linking-re-i-and-pt-ii-chromophores-with-aminopyridines-a-simple-route-to-achieve-a-complicated-photophysical-behavior
#17
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/28635287/configurational-disorder-of-water-hydrogen-bond-network-at-the-protein-dynamical-transition
#18
Obaidur Rahaman, Maria Kalimeri, Marina Katava, Alessandro Paciaroni, Fabio Sterpone
We introduce a novel strategy to quantify the disorder of extended water-water hydrogen-bond (HB) networks sampled in particle-based computer simulations. The method relies on the conformational clustering of the HB connectivity states. We successfully applied it to unveil the fine relationship among the protein dynamical transition in hydrated powder, which marks the activation of protein flexibility at Td∽240 K, and the sudden increase of the configurational disorder of the water HB network enveloping the proteins...
June 21, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28634706/parenting-a-child-with-asd-comparison-of-parenting-style-between-asd-anxiety-and-typical-development
#19
Pamela Ventola, Jiedi Lei, Courtney Paisley, Eli Lebowitz, Wendy Silverman
Parenting children with ASD has a complex history. Given parents' increasingly pivotal role in children's treatment, it is critical to consider parental style and behaviours. This study (1) compares parenting style of parents of children with ASD, parents of children with anxiety disorders, and parents of typically developing (TD) children and (2) investigates contributors to parenting style within and between groups. Parents of children with anxiety had a distinct parenting style compared to ASD and TD parents...
June 20, 2017: Journal of Autism and Developmental Disorders
https://www.readbyqxmd.com/read/28634536/telavancin-a-novel-semisynthetic-lipoglycopeptide-agent-to-counter-the-challenge-of-resistant-gram-positive-pathogens
#20
REVIEW
Biswadeep Das, Chayna Sarkar, Debasmita Das, Amit Gupta, Arnav Kalra, Shubham Sahni
Telavancin (TD-6424), a semisynthetic lipoglycopeptide vancomycin-derivative, is a novel antimicrobial agent developed by Theravance for overcoming resistant Gram-positive bacterial infections, specifically methicillin-resistant Staphylococcus aureus (MRSA). The US Food and Drug Administration (USFDA) had approved telavancin in 2009 for the treatment of complicated skin and skin structure infections (cSSSIs) caused by Gram-positive bacteria, including MRSA (S. aureus, Streptococcus agalactiae, Streptococcus pyogenes, Streptococcus anginosus group, or Enterococcus faecalis)...
March 2017: Therapeutic Advances in Infectious Disease
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