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Linear conversion

Ivan Yu Chernyshov, Philip V Toukach
Motivation: Glycans and glycoconjugates are usually recorded in dedicated databases in residue-based notations. Only a few of them can be converted into chemical (atom-based) formats highly demanded in conformational and biochemical studies. In this work, we present a tool for translation from a residue-based glycan notation to SMILES. Results: The REStLESS algorithm for translation from the CSDB Linear notation to SMILES was developed. REStLESS stands for ResiduEs as Smiles and LinkagEs as SmartS, where SMARTS reaction expressions are used to merge pre-encoded residues into a molecule...
March 14, 2018: Bioinformatics
Hui Ye
Antimicrobial peptides are derived from the viral fusion domain of influenza virus hemagglutinin based on rational analysis of the intermolecular interaction between peptides and bacterial outer membrane. It is revealed that the isolated viral fusion domain is a negatively charged peptide HAfp1-23 that cannot effectively interact with the anionic membrane. Conversion of the native HAfp1-23 to a positively charged peptide HAfp1-23 _KK by E11K/D19K mutation can promote the peptide-membrane interaction substantially; this confers to the peptide a moderate antibacterial potency against antibiotic-resistant bacterial strains...
March 2018: Journal of Peptide Science: An Official Publication of the European Peptide Society
Keisuke Usui, Keisuke Sasai, Koichi Ogawa
This study aimed to verify the validity of generating treatment plans for volumetric arc therapy (VMAT) for prostate cancer using magnetic resonance (MR) imaging with a dose calculation algorithm in Acuros XB (Eclipse version 13.6; Varian Medical Systems, Palo Alto, CA, USA) based on deterministically solving the linear Boltzmann transport equations. Four different classes were applied to prostate MR images: MRW (all water equivalent); MRW+B (water and bone); MRS+B (soft tissue and bone); and MRS+B+G (soft tissue, bone, and rectal gas)...
March 14, 2018: Radiological Physics and Technology
Deborah J Bird, William J Murphy, Lester Fox-Rosales, Iman Hamid, Robert A Eagle, Blaire Van Valkenburgh
The evolution of mammalian olfaction is manifested in a remarkable diversity of gene repertoires, neuroanatomy and skull morphology across living species. Olfactory receptor genes (ORGs), which initiate the conversion of odorant molecules into odour perceptions and help an animal resolve the olfactory world, range in number from a mere handful to several thousand genes across species. Within the snout, each of these ORGs is exclusively expressed by a discrete population of olfactory sensory neurons (OSNs), suggesting that newly evolved ORGs may be coupled with new OSN populations in the nasal epithelium...
March 14, 2018: Proceedings. Biological Sciences
Michelangelo Nigro, Davide Viggiano, Vincenzo Ragone, Tiziana Trabace, Annamaria di Palma, Michele Rossini, Giovambattista Capasso, Loreto Gesualdo, Giuseppe Gigliotti
BACKGROUND: The classical approach to the analysis of kidney biopsies is based on semi-quantitative scores of the amount of sclerosis, inflammatory infiltrate, fibrosis and vascular damage. However, advanced renal lesions may be accompanied by a paucity of clinical features and, conversely, important clinical abnormalities may be accompanied by minimal histopathological changes. The objective of this study is to correlate new, semiautomatic, quantitative features of kidney biopsies (e...
March 14, 2018: BMC Nephrology
S C Mills, J L O'Donnell, G Bernardi, R Beldade
Group-living animals commonly display differences in behaviour, physiology and endocrine profiles between conspecifics within the group, which are tightly linked to reproduction. Teleosts exhibit a variety of social systems, where social status, as well as sex, has been linked to different androgen and oestrogen profiles. Levels of gonadal androgen and oestrogen were investigated as a function of sex and position in a social hierarchy in free-living individuals of the skunk anemonefish Amphiprion akallopisos, a protandrous pomacentrid fish with a size-based dominance hierarchical social system...
March 2018: Journal of Fish Biology
Linlong Tang, Jinpeng Nong, Wei Wei, Song Zhang, Yuhang Zhu, Zhengguo Shang, Juemin Yi, Wei Wang
We theoretically study the mode energy of graphene plasmons and its fundamental role in determining the local field magnitudes. While neglecting the magnetic field energy of the mode, we derive a concise expression for the total mode energy, which is independent on the details of the mode field distributions and valid for both propagating and localized modes. We find that the mean square of the local electric fields of a graphene plasmonic mode scales linearly with the light absorption rate of the mode and the electron relaxation time of graphene...
March 5, 2018: Optics Express
Zhijie Ma, Yi Li, Yang Li, Yandong Gong, Stefan A Maier, Minghui Hong
Planar optical chirality of a metasurface measures its differential response between left and right circularly polarized (CP) lights and governs the asymmetric transmission of CP lights. In 2D ultra-thin plasmonic structures the circular dichroism is limited to 25% in theory and it requires high absorption loss. Here we propose and numerically demonstrate a planar chiral all-dielectric metasurface that exhibits giant circular dichroism and transmission asymmetry over 0.8 for circularly polarized lights with negligible loss, without bringing in bianisotropy or violating reciprocity...
March 5, 2018: Optics Express
Emily E Pocock, Richard J Mandle, John W Goodby
Liquid crystalline phases with a spontaneous twist-bend modulation are most commonly observed for dimers and bimesogens with nonamethylene spacers. In order to redress this balance we devised a simple chemical intermediate that can be used to prepare unsymmetrical bimesogens; as a proof of concept we prepared and studied eleven novel materials with all found to exhibit the twist-bend phase and exhibit a linear relationship between TN-I and TTB-N. A computational study of the conformational landscape reveals the octamethyleneoxy spacer to have a broader distribution of bend-angles than the nonamethylene equivalent, leading to reductions in the thermal stability of the TB phase...
March 12, 2018: Soft Matter
Dipti Prava Sahoo, Susanginee Nayak, K Hemalata Reddy, Satyabadi Martha, Kulamani Parida
Photocatalytic generation of H2 and O2 by water splitting remains a great challenge for clean and sustainable energy. Taking into the consideration promising heterojunction photocatalysts, analogous energy issues have been mitigated to a meaningful extent. Herein, we have architectured a highly efficient bifunctional heterojunction material, i.e., p-type Co(OH)2 platelets with an n-type ZnCr layered double hydroxide (LDH) by an ultrasonication method. Primarily, the Mott-Schottky measurements confirmed the n- and p-type semiconductive properties of LDH and CH material, respectively, with the construction of a p-n heterojunction...
March 12, 2018: Inorganic Chemistry
Chamteut Oh, Sangwoo Ji, Youngwook Cheong, Giljae Yim
In this research, an electrochemical wastewater treatment system, powered through the conversion of temperature difference into energy, was designed. The wastewater treatment system was applied to drainage flowing from two different mines, one contaminated by arsenic (As), the other ferrous iron (Fe2+ ). Arsenic was adsorbed on, or co-precipitated with, iron hydroxide generated from iron electrodes. A pseudo second order model well described the tendency for As removal. Ferrous iron oxidation occurred directly on graphite electrodes and followed a first order reaction model...
February 14, 2018: Journal of Hazardous Materials
Okihiro Onishi, Kazuya Ikoma, Ryo Oda, Tetsuro Yamazaki, Hiroyoshi Fujiwara, Shunji Yamada, Masaki Tanaka, Toshikazu Kubo
Although treatment protocols are available, patients experience both acute neuropathic pain and chronic neuropathic pain, hyperalgesia, and allodynia after peripheral nerve injury. The purpose of this study was to identify the brain regions activated after peripheral nerve injury using functional magnetic resonance imaging (fMRI) sequentially and assess the relevance of the imaging results using histological findings. To model peripheral nerve injury in male Sprague-Dawley rats, the right sciatic nerve was crushed using an aneurysm clip, under general anesthesia...
March 7, 2018: Neuroscience Letters
Viliam Kováč, Beáta Gavurová
AIM: Poverty and social exclusion is measured through different criteria and one of them is the health sector. The relationship between Roma population and the health sector is on the edge of researchers' interest in the Slovak Republic. The purpose of this paper is a quantification of the regional disparities in the development of mortality which is causally linked with selected infrastructural determinants - namely access to water and sewerage. These determinants differently participate in the structure of mortality in marginalised and segregated communities and they deepen regional disparities in health...
December 2017: Central European Journal of Public Health
Kuo-Tseng Li, Ruey-Hsiang Yen
Activity improvement of Ru-based catalysts is needed for efficient production of valuable chemicals from glycerol hydrogenolysis. In this work, a series of Re promoted Ru catalysts encapuslated in porous silica nanoparticles (denoted as Re-Ru@SiO₂) were prepared by coating silica onto the surface of chemically reduced Ru-polyvinylpyrrolidone colloids, and were used to catalyze the conversion of glycerol to diols and alcohols in water. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), nitrogen adsorption, X-ray photoelectron spectroscopy (XPS) and temperature-programmed reduction (TPR) were used to characterize these nanoparticles...
March 9, 2018: Nanomaterials
Luis Montesinos, Rossana Castaldo, Leandro Pecchia
Wearable inertial sensors have been widely investigated for fall risk assessment and prediction in older adults. However, heterogeneity in published studies in terms of sensor location, task assessed and features extracted is high, making challenging evidence-based design of new studies and/or real-life applications. We conducted a systematic review and meta-analysis to appraise the best available evidence in the field. Namely, we applied established statistical methods for the analysis of categorical data to identify optimal combinations of sensor locations, tasks, and feature categories...
March 2018: IEEE Transactions on Neural Systems and Rehabilitation Engineering
Roxane J Hillier, Elvis Ojaimi, David T Wong, Michael Y K Mak, Alan R Berger, Radha P Kohly, Peter J Kertes, Farzin Forooghian, Shelley R Boyd, Kenneth Eng, Filiberto Altomare, Louis R Giavedoni, Rosane Nisenbaum, Rajeev H Muni
Importance: Variability in response to anti-vascular endothelial growth factor (VEGF) treatment in diabetic macular edema (DME) remains a significant clinical challenge. Biomarkers could help anticipate responses to anti-VEGF therapy. Objectives: To investigate aqueous humor cytokine level changes in response to intravitreal ranibizumab therapy for the management of DME, and to determine the association between baseline aqueous levels and anatomic response. Design, Setting, and Participants: In this prospective multicenter cohort study, 49 participants with diabetes mellitus complicated by center-involving DME, with a central subfield thickness of 310 μm or greater on spectral-domain optical coherence tomography (SD-OCT), were recruited from December 22, 2011, to June 13, 2013 and statistical analysis were performed from March 1, 2017, to June 1, 2017...
March 8, 2018: JAMA Ophthalmology
Bo Xiao, Ailing Tang, Jing Yang, Asif Mahmood, Xiangnan Sun, Erjun Zhou
We used the quinoxaline (Qx) unit to design and synthesize two non-fullerene small molecular acceptors (NFSMAs) of Qx1 and Qx1b with A2=A1-D-A1=A2 skeleton, where indacenodithiophene (IDT), Qx and rhodanine (R) were adopted as the central donor (D), bridge acceptors (A1) and terminal acceptors (A2). Qx1 and Qx1b contain the different side chains of 4-hexylphenyl and octyl in the central IDT segment in order to modify the properties of final small molecules. Both small molecules show good thermal stability, high solubility, strong and broad absorption spectra with optical bandgaps of 1...
March 9, 2018: ACS Applied Materials & Interfaces
Madasamy Thangamuthu, Willimann Eric Gabriel, Christian Santschi, Olivier J F Martin
Practice oriented point-of-care diagnostics require easy-to-handle, miniaturized, and low-cost analytical tools. In a novel approach, screen printed carbon electrodes (SPEs), which were functionalized with nanomaterials, are employed for selective measurements of bilirubin, which is an important biomarker for jaundice. Multi-walled carbon nanotubes (MWCNT) and graphene separately deposited on SPEs provide the core of an electrochemical sensor for bilirubin. The electrocatalytic activity towards bilirubin oxidation (bilirubin to biliverdin) was observed at +0...
March 7, 2018: Sensors
Muhammad Farooq Saleem Khan, Jing Wu, Bo Liu, Cheng Cheng, Mona Akbar, Yidi Chai, Aisha Memon
A thorough analysis of the photophysical properties involved in electronic transitions in excitation-emission spectra of xylene isomers has been carried out using the time-dependent density functional theory (PBEPBE/6-31 + G(d,p)) method. For the first time a structural and spectroscopic investigation to distinguish isomers of xylene, a widespread priority pollutant, was conducted experimentally and theoretically. The fluorescence properties of xylene isomers (sole and mixture (binary and ternary)) in water were studied...
February 2018: Royal Society Open Science
Diriba Chali, Ajebu Nurfeta, Sandip Banerjee, Lars Olav Eik
Objective: The objective was to evaluate feed intake, digestibility, body weight change and carcass characteristics of sheep fed a basal diet of hay supplemented with banana leaves and silver leaf desmodium. Methods: Thirty yearling lambs with an average initial body weight of 15.85 ± 1.6 kg were grouped into six blocks of five rams in each block. The treatments were: hay alone (T1), hay + 100% banana leaf (T2), hay + 67% banana leaf + 33% desmodium leaf (T3), hay + 33% banana leaf + 67% desmodium leaf (T4) and hay + 100% desmodium leaf (T5)...
March 2, 2018: Asian-Australasian Journal of Animal Sciences
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