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https://www.readbyqxmd.com/read/29458126/structural-and-mechanistic-analysis-of-the-choline-sulfatase-from-sinorhizobium-melliloti-a-class-i-sulfatase-specific-for-an-alkyl-sulfate-ester
#1
Bert van Loo, Markus Schober, Eugene Valkov, Magdalena Heberlein, Erich Bornberg-Bauer, Kurt Faber, Marko Hyvönen, Florian Hollfelder
Hydrolysis of organic sulfate esters proceeds by two distinct mechanisms, water attacking at either sulfur (S-O bond cleavage) or carbon (C-O bond cleavage). In primary and secondary alkyl sulfates attack at carbon is favored, whereas in aromatic sulfates and sulfated sugars attack at sulfur is preferred. This mechanistic distinction is mirrored in the classification of enzymes that catalyze sulfate ester hydrolysis: arylsulfatases catalyze S-O cleavage in sulfate sugars and arylsulfates and alkyl sulfatases break the C-O bond of alkyl sulfates...
February 16, 2018: Journal of Molecular Biology
https://www.readbyqxmd.com/read/29458106/combi-metal-organic-framework-combi-mof-of-%C3%AE-amylase-and-glucoamylase-for-one-pot-starch-hydrolysis
#2
Manish Salgaonkar, Shamraja S Nadar, Virendra K Rathod
The multi-enzyme biocatalyst allows to run in vitro multi-step cascade reactions in a single pot. An efficient combi-metal organic frameworks (combi-MOF) of α-amylase and glucoamylase for one pot starch hydrolysis was constructed by mixing zinc acetate and 2‑methylimmidazole with enzyme mixture in one pot under biocompatible conditions. The prepared combi-MOF was characterized and analyzed by powder X-ray diffraction (PXRD), Fourier transform infrared (FT-IR), thermogravimetric analysis (TGA) and scanning electron microscopy (SEM)...
February 16, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29458016/renal-toxicological-evaluations-of-sulphonated-nanocellulose-from-khaya-sengalensis-seed-in-wistar-rats
#3
Adewale Adewuyi, Chiagoziem A Otuechere, Olusegun L Adebayo, Chibuzo Anazodo, Fabiano V Pereira
Nanocellulose is currently gaining attention due to its unique properties. This attention includes its application as building blocks for developing novel functional materials, plant drug and also in drug delivery systems. However, its safety remains largely untested or less understood. Thus, sulphonated nanocellulose (KSS) was prepared from cellulose (KSC) isolated from Khaya senegalensis seed (KS). KS, KSC and KSS were characterized using Fourier transformed infrared (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TG), particle size distribution (PSD), zeta potential and scanning electron microscopy (SEM)...
February 16, 2018: Chemico-biological Interactions
https://www.readbyqxmd.com/read/29457981/reversible-surface-engineering-via-nitrone-mediated-radical-coupling
#4
Joachim Laun, Wouter Marchal, Vanessa Trouillet, Alexander Welle, An T Hardy, Marlies K Van Bael, Christopher Barner-Kowollik, Tanja Junkers
Efficient and simple polymer conjugation reactions are critical for introducing functionalities on surfaces. For polymer surface grafting, post polymerization modifications are often required, which can impose a significant synthetic hurdle. Here, we report two strategies that allow for reversible surface engineering via nitrone-mediated radical coupling (NMRC). Macroradicals stemming from activation of polymers generated by copper-mediated radical polymerization are grafted via radical trapping with a surface-immobilized nitrone or a solution-borne nitrone...
February 19, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29457973/pyrazole-tetrazole-hybrid-bearing-the-trinitromethyl-fluorodinitromethyl-or-difluoroamino-dinitromethyl-groups-high-performance-energetic-materials
#5
Aleksei B Sheremetev, Igor L Dalinger, Nikita V Muravyev, Kyrill Yu Suponitsky, Aleksandr V Kormanov
High nitrogen compounds have acquired great scientific interest and technological importance because of their unique energy content, and they find diverse applications in many fields of science and technology. Understanding of structure-property relationship trends as well as how to modify them is of paramount importance for their further improvement. Herein, we have used installation of oxygen-rich modules, C(NO2)3, C(NO2)2F or C(NO2)2NF2, to a endothermic framework, that is combination of nitropyrazole unit and tetrazole ring, as a way to design novel energetic compounds...
February 19, 2018: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29457889/rapid-microwave-preparation-and-composition-tuning-of-the-high-performance-magnetocalorics-mn-fe-2-p-si
#6
Jason H Grebenkemper, Joshua D Bocarsly, Emily E Levin, Gareth Seward, Colin Heikes, Craig Brown, Sumohan Misra, Fabian Seeler, Kerstin Schierle-Arndt, Stephen D Wilson, Ram Seshadri
Rapid preparation utilizing assisted microwave heating permits significantly shorter preparation times for magnetocaloric compounds in the (Mn,Fe)2 (P,Si) family, specifically samples of (Mn,Fe)2-δ P0.5 Si0.5 with starting compositions of δ = 0, 0.06, and 0.12. To fully understand the effects of processing and composition changes on structure and properties, these materials are characterized using synchrotron powder diffraction, neutron powder diffraction, electron microprobe analysis (EMPA), X-ray fluorescence (XRF), and magnetic measurements...
February 19, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29457389/-study-on-the-risk-factors-for-the-misdiagnosis-of-femoral-head-osteonecrosis
#7
Zhi-Wei Chen, Tai-Xian Li, Xiao-Xu Wan, Rong-Tian Wang, Wei-Heng Chen
OBJECTIVE: To evaluate the status and risk factors for the misdiagnosis of femoral head osteonecrosis, providing the basis for accurate diagnosis of osteonecrosis of femoral head. METHODS: The data of 314 hospitalized patients were collected from March 2015 to March 2016, and the risk factors for osteonecrosis of femoral head were analyzed by Logistic regression model. Misdiagnosis was defined that the diagnosis given on the first time was different from that on the second time or that given by expert group with the same symptoms and signs...
November 25, 2017: Zhongguo Gu Shang, China Journal of Orthopaedics and Traumatology
https://www.readbyqxmd.com/read/29457350/reactivating-catalytic-surface-insights-into-the-role-of-hot-holes-in-plasmonic-catalysis
#8
Tianhuan Peng, Junjian Miao, Zhaoshuai Gao, Linjuan Zhang, Yi Gao, Chunhai Fan, Di Li
Surface plasmon resonance of coinage metal nanoparticles is extensively exploited to promote catalytic reactions via harvesting solar energy. Previous efforts on elucidating the mechanisms of enhanced catalysis are devoted to hot electron-induced photothermal conversion and direct charge transfer to the adsorbed reactants. However, little attention is paid to roles of hot holes that are generated concomitantly with hot electrons. In this work, 13 nm spherical Au nanoparticles with small absorption cross-section are employed to catalyze a well-studied glucose oxidation reaction...
February 19, 2018: Small
https://www.readbyqxmd.com/read/29457209/agreement-between-integrated-management-of-childhood-illness-and-final-diagnosis-in-acute-respiratory-tract-infections
#9
Sıddika Songül Yalçın, Beril Özdemir, Sadriye Özdemir, Esra Baskın
OBJECTIVE: To evaluate the agreement between integrated management of childhood illness (IMCI) and final diagnosis in patients presenting with cough at the second and third level health institutions. METHODS: This cross-sectional study included 373 children aged 2-60 mo who presented with cough at the pediatric emergency and outpatient clinics in the Department of Pediatrics. After clinical examination of children, body temperature, respiratory rate, saturation, presence or absence of the chest indrawing, rales, wheezing and laryngeal stridor were recorded...
February 19, 2018: Indian Journal of Pediatrics
https://www.readbyqxmd.com/read/29457179/an-experimental-and-theoretical-investigation-of-xps-and-nexafs-of-5-halouracils
#10
M C Castrovilli, P Bolognesi, E Bodo, G Mattioli, A Cartoni, L Avaldi
The C, N and O 1s excitation and ionization processes of 5X-uracil (X = F, Cl, Br, and I) were investigated using near edge X-ray absorption fine structure (NEXAFS) and X-ray photoemission (XPS) spectroscopies. This study aims at the fine assessment of the effects of the functionalization of uracil molecules by halogen atoms having different electronegativity and bound to the same molecular site. Two DFT-based approaches, which rely on different paradigms, have been used to simulate the experimental spectra and to assign the corresponding features...
February 19, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29457175/tetrabenzo-chichibabin-s-hydrocarbons-substituent-effects-and-unusual-thermochromic-and-thermomagnetic-behaviours
#11
Chuanling Jiang, Yawen Bang, Xinhao Wang, Xuefeng Lu, Zhenglong Lim, Haipeng Wei, Samir El-Hankari, Jishan Wu, Zebing Zeng
Open-shell π-conjugated compounds have recently received intense attention due to their unique properties and promising applications in materials science. However, the experiments on how the substituents affect their chemical bonding and structural motif remain less addressed. In this work, a series of tetrabenzo-Chichibabin's hydrocarbon (TBC) derivatives substituted by different electron-donating or -withdrawing groups at the termini were synthesized. The substituent effect was studied via X-ray crystallographic analysis...
February 19, 2018: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29457172/inorganic-mixed-phase-templated-by-a-fatty-acid-monolayer-at-the-air-water-interface-the-mn-and-mg-case
#12
Alae El Haitami, Michel Goldmann, Philippe Fontaine, Marie-Claude Fauré, Sophie Cantin
We studied by means of Grazing Incidence X-ray Diffraction (GIXD) coupled with X-ray fluorescence spectroscopy the structure of a behenic acid monolayer spread at the surface of Mg2+ /Mn2+ mixed aqueous solutions. For the pure Mg2+ and Mn2+ aqueous solutions, the cations induce at the surface different 2D lattice superstructures of the organic monolayer. These superstructures correspond to an inorganic organized monolayer anchored to the hydrophilic group of the ordered behenic acid monolayer. Among the various diffraction peaks, we focused on those characteristics of the behenic acid oblique cell...
February 19, 2018: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29457145/fourier-domain-analysis-of-the-iterative-landweber-algorithm
#13
Gengsheng L Zeng, Ya Li
This paper proposes a novel method of using the frequency-domain transfer function to investigate the property of an iterative algorithm for minimizing a quadratic objective function. This paper focuses on a two-dimensional (2D) tomography problem, which can be X-ray computed tomography (CT), positron emission tomography (PET), and single photon emission computed tomography (SPECT). Two questions regarding to the linear iterative Landweber algorithm are considered. The first question is whether stopping early is equivalent to getting a minimum-norm solution...
November 2017: IEEE Transactions on Radiation and Plasma Medical Sciences
https://www.readbyqxmd.com/read/29456892/under-the-armor-x-ray-computed-tomographic-reconstruction-of-the-internal-skeleton-of-coahomasuchus-chathamensis-archosauria-aetosauria-from-the-upper-triassic-of-north-carolina-usa-and-a-phylogenetic-analysis-of-aetosauria
#14
Devin K Hoffman, Andrew B Heckert, Lindsay E Zanno
Aetosauria is a clade of heavily armored, quadrupedal omnivorous to herbivorous archosaurs known from the Late Triassic across what was the supercontinent of Pangea. Their abundance in many deposits relative to the paucity of other Triassic herbivores indicates that they were key components of Late Triassic ecosystems. However, their evolutionary relationships remain contentious due, in large part, to their extensive dermal armor, which often obstructs observation of internal skeletal anatomy and limits access to potentially informative characters...
2018: PeerJ
https://www.readbyqxmd.com/read/29456856/design-principles-of-perovskites-for-solar-driven-thermochemical-splitting-of-co-2
#15
Miriam Ezbiri, Michael Takacs, Boris Stolz, Jeffrey Lungthok, Aldo Steinfeld, Ronald Michalsky
Perovskites are attractive redox materials for thermo/electrochemical fuel synthesis. To design perovskites with balanced redox energetics for thermochemically splitting CO2 , the activity of lattice oxygen vacancies and stability against crystal phase changes and detrimental carbonate formation are predicted for a representative range of perovskites by electronic structure computations. Systematic trends in these materials properties when doping with selected metal cations are described in the free energy range defined for isothermal and temperature-swing redox cycles...
August 7, 2017: Journal of Materials Chemistry. A, Materials for Energy and Sustainability
https://www.readbyqxmd.com/read/29456634/limethason-reduces-airway-inflammation-in-a-murine-model-of-ovalbumin-induced-chronic-asthma-without-causing-side-effects
#16
Siyu Li, Zhiping Miao, Ye Tian, Haoyu Wang, Shuai Wang, Tianyuan He, Yue Yang, Peng Wang, Mengyao Ma, Tuanmin Yang, Tao Chen, Zhiyong Liu, Junhong Gao, Chu Chen, Airong Qian
Airway inflammation is the major pathological feature of asthma. Thus, the current therapeutic strategy for asthma is to control inflammation. Limethason, an anti-inflammation drug, is widely used in rheumatoid arthritis treatment. The aim of the present study was to detect the anti-inflammatory effect and side effects of limethason on airways that were sensitized with ovalbumin in a murine model of chronic asthma. In the present study, BALB/c mice were sensitized with ovalbumin. Airway hyperresponsiveness was estimated, and hematoxylin and eosin staining, Periodic acid-Schiff staining and bronchoalveolar lavage were used to detect the effect on chronic asthma...
March 2018: Experimental and Therapeutic Medicine
https://www.readbyqxmd.com/read/29456339/retrospective-analysis-of-arthrodesis-from-various-options-after-anterior-cervical-discectomy
#17
Vinaysagar Sharma, Shashwat Kumar Singh
Introduction: Anterior cervical discectomy is a surgical procedure performed to treat a herniated/degenerated disc in the cervical region. There have been various studies comparing arthrodesis rates among various procedures. Our patients belonged to varied socioeconomic background and underwent anterior cervical microdiscectomy without/with instrumentation. Aim: The present study was performed to study and compare the arthrodesis rates in the patients operated for anterior cervical microdiscectomy with and without fusion/instrumentation procedures at our institution...
January 2018: Journal of Neurosciences in Rural Practice
https://www.readbyqxmd.com/read/29456258/modifying-the-standard-disk-model-for-the-ultraviolet-spectral-analysis-of-disk-dominated-cataclysmic-variables-i-the-novalikes-mv-lyrae-bz-camelopardalis-and-v592-cassiopeiae
#18
Patrick Godon, Edward M Sion, Şölen Balman, William P Blair
The standard disk is often inadequate to model disk-dominated cataclysmic variables (CVs) and generates a spectrum that is bluer than the observed UV spectra. X-ray observations of these systems reveal an optically thin boundary layer (BL) expected to appear as an inner hole in the disk. Consequently, we truncate the inner disk. However, instead of removing the inner disk, we impose the no-shear boundary condition at the truncation radius, thereby lowering the disk temperature and generating a spectrum that better fits the UV data...
September 1, 2017: Astrophysical Journal
https://www.readbyqxmd.com/read/29456105/marine-bis-%C3%AE-pyrone-polypropionates-of-onchidione-family-and-their-effects-on-the-xbp1-gene-expression
#19
Zhen-Fang Zhou, Xiao-Lu Li, Li-Gong Yao, Jia Li, Margherita Gavagnin, Yue-Wei Guo
Two additional new members of the onchidione family, 16-epi-onchidione (1) and 4-epi-onchidione (2), co-occurring with six previously reported bis-γ-pyrone polypropionates including onchidione (3), were isolated from the marine pulmonate Onchidium sp. Their structures were determined by extensive spectroscopic analysis and by comparison with 3 and onchidione-related derivatives. The absolute configuration of 1 was established by X-ray diffraction analysis employing graphite monochromated Cu Kα radiation (λ = 0...
February 8, 2018: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29456010/extraction-and-characterization-of-arrowroot-maranta-arundinaceae-l-starch-and-its-application-in-edible-films
#20
Gislaine Ferreira Nogueira, Farayde Matta Fakhouri, Rafael Augustus de Oliveira
This research work aimed extraction and characterization of arrowroot starch. Besides, the effects of different concentrations of starch (2.59-5.41%, mass/mass) and concentrations of glycerol (9.95-24.08%, mass versus starch mass) on films properties were evaluated by a rotational central composite 22 experimental design. Arrowroot starch showed high amylose content (35%). Low values were found for the swelling power and solubility index. The X-ray diffraction showed "C" type crystalline structures, while thermogram showed Tg around of 118 and 120 °C...
April 15, 2018: Carbohydrate Polymers
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