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Diptarka Hait, Martin Head-Gordon
Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the accuracy of modern density functionals for calculating dipole moments, we have developed a database of 200 benchmark dipole moments, using coupled cluster theory through triple excitations, extrapolated to the complete basis set limit. This new database is used to assess the performance of 88 popular or recently developed density functionals...
March 21, 2018: Journal of Chemical Theory and Computation
Pyae Phyo, Tuo Wang, Yu Yang, Hugh M O'Neill, Mei Hong
In contrast to the well-studied crystalline cellulose of microbial and animal origins, cellulose in plant cell walls is disordered due to its interactions with matrix polysaccharides. Plant cell wall (PCW) is an undisputed source of sustainable global energy, therefore it is important to determine the molecular structure of PCW cellulose. The most reactive component of cellulose is the exocyclic hydroxymethyl group: when it adopts the tg conformation, it stabilizes intra-chain and inter-chain hydrogen bonding, while gt and gg conformations destabilize the hydrogen-bonding network...
March 21, 2018: Biomacromolecules
Feng Liang, Christian Giordano, Dong Shang, Qian Li, Basil J Petrof
Duchenne muscular dystrophy (DMD) is characterized by progressive muscle weakness which is ultimately fatal, most often due to involvement of the diaphragm. Macrophage infiltration of dystrophic muscles has been strongly linked to muscle damage and fibrosis in DMD. We hypothesized that cenicriviroc (CVC), a dual chemokine receptor (CCR2/CCR5) antagonist currently under clinical evaluation for other diseases, could prevent macrophage accumulation and blunt disease progression in the diaphragms of mdx mice (genetic homologue of DMD)...
2018: PloS One
Caitlin Black, Colin Southwell, Louise Emmerson, Daniel Lunn, Tom Hart
Polar seabirds adopt different over-wintering strategies to survive and build condition during the critical winter period. Penguin species either reside at the colony during the winter months or migrate long distances. Tracking studies and survey methods have revealed differences in winter migration routes among penguin species and colonies, dependent on both biotic and abiotic factors present. However, scan sampling methods are rarely used to reveal non-breeding behaviors during winter and little is known about presence at the colony site over this period...
2018: PloS One
Seul-Gee Lee, Jaewon Oh, Sung-Kyung Bong, Jung-Sun Kim, Seil Park, Sehoon Kim, Sungha Park, Sang-Hak Lee, Yangsoo Jang
AIMS: Atherosclerosis is a well-known cause of cardiovascular disease and is associated with a variety of inflammatory reactions. However, an adequate large-animal model of advanced plaques to investigate the pathophysiology of atherosclerosis is lacking. Therefore, we developed and assessed a swine model of advanced atherosclerotic plaques with macrophage polarization. METHODS: Mini-pigs were fed a 2% high-cholesterol diet for 7 weeks followed by withdrawal periods of 4 weeks...
2018: PloS One
Kamal T Hindy, Ashraf R Baghdady, Fares M Howari, Ahmed S Abdelmaksoud
This study is concerned with the identification of the mineralogical composition of dust fall samples collected from southeast of Cairo, Egypt. The mineralogical identification was conducted by means of the polarizing microscope, infra-red spectroscopy (IR), and X-ray diffraction (XRD). The relationship between the mineralogical composition of dust fall samples and 10 rock samples from the surrounding terrains were investigated. The major mineralogical species existing in the atmosphere of the study area are: carbonates mainly in the form of calcite in addition to the appearance of the dolomite form in traces overall the study area, but with considerable observation in the southern region; quartz which is less than calcite in its abundance; sulphates in the form of gypsum which may also be present as traces in the anhydrite form...
March 21, 2018: International Journal of Environmental Research and Public Health
Kathy H Y Shair, Akhil Reddy, Vaughn S Cooper
Latent membrane protein 1 (LMP1) is an Epstein-Barr virus (EBV) oncogenic protein that has no intrinsic enzymatic activity or sequence homology to cellular or viral proteins. The oncogenic potential of LMP1 has been ascribed to pleiotropic signaling properties initiated through protein-protein interactions in cytosolic membrane compartments, but the effects of LMP1 extend to nuclear and extracellular processes. Although LMP1 is one of the latent genes required for EBV-immortalization of B cells, the biology of LMP1 in the pathogenesis of the epithelial cancer nasopharyngeal carcinoma (NPC) is more complex...
March 21, 2018: Cancers
Trey S Rottgen, Andrew J Nickerson, Emily A Minor, Amanda B Stewart, Abby D Harold, Vazhaikkurichi M Rajendran
Attenuated Ca2+ -activated Cl- secretion has previously been observed in the model of dextran-sulfate-sodium (DSS)-induced colitis. Prior studies have implicated dysfunctional muscarinic signaling from basolateral membranes as the potential perpetrator leading to decreased Ca2+ -activated Cl- secretion. However, in our chronic model of DSS-colitis, Chrm3 transcript (1.028 {plus minus} 0.12 vs. 1.029 {plus minus} 0.27, p > 0.05) and CHRM3 protein expression (1.021 {plus minus} .24 vs. .928 {plus minus} .09, p > 0...
March 21, 2018: American Journal of Physiology. Cell Physiology
Styliani Consta, Myong In Oh, Mahmoud Sharawy, Anatoly Malevanets
Macroion-droplet interactions play a critical role in many settings such as ionization techniques of samples in mass spectrometry analysis and atmospheric aerosols. The droplets under investigation are composed of a polar solvent, primarily water, a charged macroion and, possibly, buffer ions. We present highlights of our research on the relation between the charge state of a macroion and the droplet morphologies. We have determined that depending on the charge on the macroion and certain macroscopic properties of the solvent, such as its dielectric constant and surface tension, a droplet may obtain striking conformations such as droplets with extruded tails, ``pearl-necklace'' conformations and multi-point ``star'' shapes...
March 21, 2018: Journal of Physical Chemistry. A
Ritika S Joshi, Dipanwita Das Mukherjee, Subhendu Chakrabarty, Ansie Martin, Manojkumar Jadhao, Gopal Chakrabarti, Angshuman Sarkar, Sujit Kumar Ghosh
In the development of small molecule drug candidates, naphthalimide based compounds hold a very important position as potent anti-cancer agents with considerable safety in drug discoveries. Being synthetically and readily accessible, naphthalimide compounds with planar architecture have been developed mostly as DNA targeting intercalators. However, in this article, we demonstrate, for the first time, wherein an unfused naphthalimide-benzothiazole bichromophoric compound 2-(6-chlorobenzo[d] thiazol-2-yl)-1H-benzo[de] isoquinoline-1,3(2H)-dione (CBIQD), designed and synthesized by our group, seem to expand the bioactivity of naphthalimide as anti-mitotic agents also...
March 21, 2018: Journal of Physical Chemistry. B
Cezar A Bizzi, Sandra M Cruz, Lucas Schmidt, Robert A Burrow, Juliano S Barin, Jose N G Paniz, Erico M M Flores
A new method for analytical applications based on the Maxwell-Wagner effect is proposed. Considering the interaction of carbonaceous materials with an electromagnetic field in the microwave frequency range, a very fast heating is observed due to interfacial polarization that results in localized microplasma formation. Such effect was evaluated in this work using a monomode microwave system, and temperature was recorded using an infrared camera. For analytical applications, a closed reactor under oxygen pressure was evaluated...
March 21, 2018: Analytical Chemistry
Hyun Woo Noh, Soon Moon Jeong, Junghyun Cho, Jung-Il Hong
Single crystalline ZnO nanoplatelet structures were synthesized via a hydrothermal process on the surface of GaN microparticles. Growth of ZnO seeded on the GaN surface promoted faster growth along the directions within the basal plane of the ZnO crystal structure, resulting in the formation of 2-dimensional nanoplates with a thickness less than a few tens of nanometers at most. Electrical conduction across an individual nanoplate was measured and found to be extremely sensitive to UV illumination and the surrounding atmospheric environment...
March 21, 2018: Nanoscale
Dean A VanNasdale, Ann E Elsner, Victor E Malinovsky, Todd D Peabody, Kimberly D Kohne, Bryan P Haggerty, Christopher A Clark
SIGNIFICANCE: Age-related macular degeneration (AMD) is a leading cause of irreversible vision loss. Complementary imaging techniques can be used to better characterize and quantify pathological changes associated with AMD. By assessing specific light-tissue interactions, polarization-sensitive imaging can be used to detect tissue disruption early in the disease process. PURPOSE: The aim of this study was to compare variability in central macular polarization properties in patients with nonexudative AMD and age-matched control subjects...
March 21, 2018: Optometry and Vision Science: Official Publication of the American Academy of Optometry
Avinash Sharma, Kunal Jani, Guang-Da Feng, Prachi Karodi, Venkata Ramana Vemuluri, Hong-Hui Zhu, Sisinthy Shivaji, Vishal Thite, Swapnil Kajale, Praveen Rahi, Yogesh Shouche
A Gram-stain-negative, yellowish-orange pigmented, rod-shaped, motile bacterium, designated strain ARC111T , was isolated from sediment of Arctic permafrost at Midtre Lovénbreen glacier, Svalbard. 16S rRNA gene based identification of strain ARC111T demonstrated highest sequence similarities to Subsaxibacter broadyi P7T (97.8 %) and Subsaxibacter arcticus JCM30334T (97.5 %) and ≤95.2 % with all other members of the family Flavobacteriaceae. Phylogenetic analysis revealed the distinct positioning of strain ARC111T within the genus Subsaxibacter...
March 21, 2018: International Journal of Systematic and Evolutionary Microbiology
Hojun Sung, Hyun Sik Kim, June-Young Lee, Woorim Kang, Pil Soo Kim, Dong-Wook Hyun, Euon Jung Tak, Mi-Ja Jung, Ji-Hyun Yun, Min-Soo Kim, Na-Ri Shin, Tae Woong Whon, Jeong Rae Rho, Sun Duk Park, Hyung Eun Shim, Jin-Woo Bae
A Gram-stain-positive, facultatively aerobic, spore-forming, oxidase-positive, catalase- and DNase-negative, rod-shaped and motile bacterial strain, AR23208T , was isolated from the gut of a cinereous vulture (Aegypius monachus), collected at Seoul Grand Park Zoo (Republic of Korea). Strain AR23208T grew optimally at 25-30 °C, at pH 7 and in the absence of NaCl. Phylogenetic analysis revealed that strain AR23208T shared 98.2 and 97.1 % 16S rRNA gene sequence similarity with Tumebacillus algifaecis THMBR28T and Tumebacilluslipolyticus NIO-S10T , respectively...
March 21, 2018: International Journal of Systematic and Evolutionary Microbiology
Qian Wang, Yali Song, Lina Choi, Hongyu Liu, Gejiao Wang, Mingshun Li
A Gram-stain-negative, non-motile, rod-shaped, red-pigmented strain, designated W37T , was isolated from soil near an iron factory in Busan (Republic of Korea). Phylogenetic analysis based on 16S rRNA gene sequences showed that strain W37T was most closely related to Deinococcus yunweiensis YIM 007T (98.3 %) and Deinococcus radioresistens 8AT (96.3 %). The DNA-DNA relatedness between strain W37T and D. yunweiensis YIM 007T was 50.5 %. The predominant respiratory quinone was MK-8. The major polar lipids were an unidentified phosphoglycolipid, an unidentified aminophospholipid, four unidentified glycolipids, two unidentified phospholipids and an unidentified lipid...
March 21, 2018: International Journal of Systematic and Evolutionary Microbiology
Qing Liu, Yu-Hua Xin, Xiu-Ling Chen, Hong-Can Liu, Yu-Guang Zhou, Wen-Xin Chen
A Gram-stain-positive strain designated MDB1-42T was isolated from ice collected from Midui glacier in Tibet, PR China. Strain MDB1-42T was catalase-positive, oxidase-negative and grew optimally at 25-28 °C and pH 7.0. Phylogenetic analysis based on 16S rRNA gene sequences revealed that MDB1-42T represented a member of the genus Arthrobacter. The highest level of 16S rRNA gene sequence similarity (99.86 %) was found with Arthrobacter agilis NBRC 15319T . Multilocus sequence analysis revealed low similarity of 91...
March 21, 2018: International Journal of Systematic and Evolutionary Microbiology
Peter Kämpfer, Hans-Jürgen Busse, Stefanie P Glaeser
A yellow-pigmented, Gram-stain-negative, rod-shaped, non-spore-forming bacterium (strain KSS165-70T ) was isolated from a coolant lubricant emulsion. The 16S rRNA gene sequence analysis of strain KSS165-70T showed high sequence similarity to the type strains of Novosphingobium subterraneum (98.1 %), Novosphingobium lentum (97.9 %) and Novosphingobium taihuense (97.8 %). Sequence similarities to type strains of all other Novosphingobium species were below 97.5 %. Ubiquinone Q-10 was detected as the major respiratory quinone...
March 21, 2018: International Journal of Systematic and Evolutionary Microbiology
Can Chen, Nusratgul Anwar, Chen Wu, Geyi Fu, Ruijun Wang, Choangya Zhang, Yuehong Wu, Cong Sun, Min Wu
A Gram-stain-negative, aerobic, motile and rod-shaped bacterium, designated MC28T , was isolated from storage liquid collected from the stems of Populus euphratica in the Xinjiang province of China. The growth range of NaCl concentration was 0.5-6.0 % (w/v), with an optimum at 3.0 % (w/v), the temperature range for growth was 10-45 °C, with an optimum at 40 °C, and the pH range for growth was 6.0-9.0, with an optimum around pH 8.5. Phylogenetic analysis based on 16S rRNA gene sequences revealed that strain MC28T formed a distinct lineage in the clade of genus Halomonas and is closely related to Halomonas desiderata DSM 9502T (96...
March 21, 2018: International Journal of Systematic and Evolutionary Microbiology
Shivraj, B Siddlingeshwar, Elena M Kirilova, Sergey V Belyakov, Darshan Devang Divakar, Abdulaziz Abdullah Alkheraif
Benzanthrone derivatives are potential fluorescent probes for various chemical and biological environments. A mechanistic understanding of their photophysical properties is pivotal for designing an efficient fluorescence sensor based on the benzanthrone framework. In this study, we report on the effect of chemical substitution on the photophysical properties of two benzanthrone derivatives, namely, 3-(N'-methyl)-piperazino-7H-benzo[de]anthracen-7-one [Me-PBA] and 3-(N'-phenyl)-piperazino-7H-benzo[de]anthracen-7-one [Ph-PBA] in different solvents and solvent mixtures of varying polarities and proticities...
March 21, 2018: Photochemical & Photobiological Sciences
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