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https://www.readbyqxmd.com/read/28734246/topological-pattern-for-the-search-of-new-active-drugs-against-methicillin-resistant-staphylococcus-aureus
#1
Jose I Bueso-Bordils, Maria T Perez-Gracia, Beatriz Suay-Garcia, Maria J Duart, Rafael V Martin Algarra, Luis Lahuerta Zamora, Gerardo M Anton-Fos, Pedro A Aleman Lopez
Molecular topology was used to develop a mathematical model capable of classifying compounds according to antimicrobial activity against methicillin resistant Staphylococcus aureus (MRSA). Topological indices were used as structural descriptors and their relation to antimicrobial activity was determined by using linear discriminant analysis. This topological model establishes new structure activity relationships which show that the presence of cyclopropyl, chlorine and ramification pairs at a distance of two bonds favor this activity, while the presence of tertiary amines decreases it...
July 8, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28732163/diamines-can-initiate-new-particle-formation-in-the-atmosphere
#2
Jonas Elm, Monica Passananti, Theo Kurtén, Hanna Vehkamaki
Recent experimental evidence suggests that diamines can enhance atmospheric new particle formation more efficiently compared to monoamines such as dimethylamine. Here we investigate the molecular interactions between sulfuric acid (sa) and the di- amine putrescine (put) using computational methods. The molecular structure of up to four sulfuric acid molecules and up to four putrescine molecules were obtained at the ωB97X-D/6-31++G(d,p) level of theory. We utilized a domain local pair natural orbital coupled cluster method - DLPNO-CCSD(T)/aug-cc-pVTZ - to obtain highly accurate binding energies of the clusters...
July 21, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28732155/relating-redox-properties-of-polyvinylamine-g-tempo-laccase-hydrogel-complexes-to-cellulose-oxidation
#3
Qiang Fu, Alexander Sutherland, Emil Gustafsson, Md Monsur Ali, Leyla Soleymani, Robert H Pelton
The structure and electrochemical properties of adsorbed complexes based on mixtures of polyvinylamine-g-TEMPO (PVAm-T) and laccase were related to the ability of the adsorbed complexes to oxidize cellulose. PVAm-T10 with 10% of the amines bearing TEMPO moieties (i.e. DS= 10%), adsorbed onto gold-sulfonate EQCM-D sensor surfaces giving a hydrogel film, 7 nm thick, 89% water and encasing laccase (200 mM) and TEMPO moieties (33 mM). For DS values >10% all of the TEMPOs in the hydrogel film were redox-active, in that they could be oxidized by the electrode...
July 21, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28732128/inhibition-of-shigella-sonnei-and-shigella-flexneri-in-hummus-using-citric-acid-and-garlic-extract
#4
Amin N Olaimat, Murad A Al-Holy, Mahmoud H Abu-Ghoush, Tareq M Osaili, Anas A Al-Nabulsi, Barbara A Rasco
Hummus (chickpea dip) is a ready-to-eat product that may pose a significant risk to human if pathogens are present. Several organisms including Shigella spp. have been isolated from hummus. However, studies on the survival and inhibition of Shigella spp. in food are scarce. This study investigated the growth pattern of Sh. sonnei and Sh. flexneri in hummus at different temperatures (4, 10, and 24 °C). Additionally, the inhibitory activity of different concentrations of citric acid (CA) (0.5%, 1.0%, and 2.0%) and garlic extract (GE) (1...
July 21, 2017: Journal of Food Science
https://www.readbyqxmd.com/read/28732063/dopamine-acting-at-d1-like-d2-like-and-%C3%AE-1-adrenergic-receptors-differentially-modulates-theta-and-gamma-oscillatory-activity-in-primary-motor-cortex
#5
Mazhar Özkan, Nicholas W Johnson, Umit S Sehirli, Gavin L Woodhall, Ian M Stanford
The loss of dopamine (DA) in Parkinson's is accompanied by the emergence of exaggerated theta and beta frequency neuronal oscillatory activity in the primary motor cortex (M1) and basal ganglia. DA replacement therapy or deep brain stimulation reduces the power of these oscillations and this is coincident with an improvement in motor performance implying a causal relationship. Here we provide in vitro evidence for the differential modulation of theta and gamma activity in M1 by DA acting at receptors exhibiting conventional and non-conventional DA pharmacology...
2017: PloS One
https://www.readbyqxmd.com/read/28731717/hydrogen-bond-direction-enables-palladium-catalyzed-branch-and-enantioselective-allylic-aminations-and-beyond
#6
Ya-Ni Wang, Bao-Cheng Wang, Mao-Mao Zhang, Xiao-Wen Gao, Tian-Ren Li, Liang-Qiu Lu, Wen-Jing Xiao
The palladium-catalyzed branch- and enantioselective allylic amination of vinyl benzoxazinones was accomplished through controlling the hydrogen bond direction. This protocol provides a rapid and efficient route for synthesizing an important building block, chiral amino alkene, from widely available aliphatic amines in 64 → 99% yields with up to 99% ee. Furthermore, this transformation and the accompanying products were utilized to develop one-pot reactions through dual catalysis, affording chiral indolines with good synthetic efficiency and excellent enantiocontrol...
July 21, 2017: Organic Letters
https://www.readbyqxmd.com/read/28731715/tandem-oxidative-dearomatizing-spirocyclizations-of-propargyl-guanidines-and-ureas
#7
Ravi P Singh, Jayanta Das, Muhammed Yousufuddin, Delphine Gout, Carl J Lovely
Treatment of propargyl ureas or guanidines with iodosobenzene diacetate results in an oxidative tandem amination/etherification dearomatizing spirocyclization. This transformation leads directly to the complete framework of the Leucetta alkaloids, spirocalcaridine A and B.
July 21, 2017: Organic Letters
https://www.readbyqxmd.com/read/28731680/nitrilotriacetic-amine-functionalized-polymeric-core-shell-nanoparticles-as-enzyme-immobilization-supports
#8
Dominic Keller, Ana Beloqui, Monica Martínez-Martínez, Manuel Ferrer, Guillaume Delaittre
Nitrilotriacetic amine (NTA) functionalized nanoparticles obtained by aqueous polymerization-induced self-assembly (PISA) are introduced as immobilization supports for polyhistidine-functionalized (His-tagged) enzymes. A novel initiator for nitroxide-mediated polymerization based on the nitroxide SG1 and carrying a protected NTA moiety was first synthesized. Size-exclusion chromatography (SEC) and electrospray ionization mass spectrometry (ESI-MS) proved the ability of this initiator to produce well-defined end-functional vinyl polymers...
July 21, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28731474/bacterial-transcriptome-remodeling-during-sequential-co-culture-with-a-marine-dinoflagellate-and-diatom
#9
Marine Landa, Andrew S Burns, Selena J Roth, Mary Ann Moran
In their role as primary producers, marine phytoplankton modulate heterotrophic bacterial activities through differences in the types and amounts of organic matter they release. This study investigates the transcriptional response of bacterium Ruegeria pomeroyi, a member of the Roseobacter clade known to affiliate with diverse phytoplankton groups in the ocean, during a shift in phytoplankton taxonomy. The bacterium was initially introduced into a culture of the dinoflagellate Alexandrium tamarense, and then experienced a change in phytoplankton community composition as the diatom Thalassiosira pseudonana gradually outcompeted the dinoflagellate...
July 21, 2017: ISME Journal
https://www.readbyqxmd.com/read/28731342/a-formal-synthesis-of-perhydrohistrionicotoxin-using-a-cross-metathesis-hydrogenation-approach
#10
Nicolas Daniel Spiccia, James V Burnley, Kamani Subasinghe, Christopher Perry, Laurent Lefort, W Roy Jackson, Andrea J Robinson
The development of an efficient, high yielding six-step convergent synthesis of the semi-synthetic alkaloid (-)- perhydrohistrionicotoxin is described. The key transformations include the cross metathesis of a Brønsted- acid masked primary homoallylic amine with a vinyl cyclohexenone and a regioselective palladium catalysed hydrogenation. This sequence generated the advanced Winterfeldt spirocyclic precursor in 47% overall yield, with a longest linear sequence of five steps.
July 21, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28730201/copper-catalyzed-mannich-type-oxidative-%C3%AE-functionalization-of-tertiary-amines
#11
Min-Jie Zhou, Shou-Fei Zhu, Qi-Lin Zhou
A copper-catalyzed Mannich-type oxidative β-functionalization reaction of amines has been developed. In the presence of an oxidant and a copper catalyst, tertiary amines reacted with N-tosylimines, providing synthetically important 1,3-diamines and enamines, respectively. Preliminary mechanistic studies suggested that the oxidation of the tertiary amine to the enamine intermediate triggers subsequent Mannich-type reactions with N-tosylimines and thus enables the direct β-functionalization of the tertiary amines...
July 21, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28730188/tert-butyl-nitrite-tbn-as-the-n-atom-source-for-the-synthesis-of-substituted-cinnolines-with-2-vinylanilines-and-a-relevant-mechanism-was-studied
#12
XiaoBo Pang, LianBiao Zhao, DaGang Zhou, Ping Yong He, ZhenYu An, Ji Xiang Ni, RuLong Yan
A green method to synthesize cinnolines by 6π electrocyclic reaction with alkenyl amines and TBN has been developed. TBN plays a dual role both as a nitrogen atom source and an oxidant in this procedure. Relevant mechanism experiments reveal that the reaction proceeds through electrocyclic reaction and with diazo hydroxide as a key intermediate.
July 21, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28729898/draft-genome-sequences-of-strains-salinicola-socius-smb35-t-salinicola-sp-mh3r3-1-and-chromohalobacter-sp-smb17-from-the-verkhnekamsk-potash-mining-region-of-russia
#13
Björn E Olsson, Ekaterina S Korsakova, Lyudmila N Anan'ina, Anna A Pyankova, Olga V Mavrodi, Elena G Plotnikova, Dmitri V Mavrodi
Halomonads are moderately halophilic bacteria that are studied as models of prokaryotic osmoadaptation and sources of enzymes and chemicals for biotechnological applications. Despite the progress in understanding the diversity of these organisms, our ability to explain ecological, metabolic, and biochemical traits of halomonads at the genomic sequence level remains limited. This study addresses this gap by presenting draft genomes of Salinicola socius SMB35(T), Salinicola sp. MH3R3-1 and Chromohalobacter sp...
2017: Standards in Genomic Sciences
https://www.readbyqxmd.com/read/28729671/linking-rheology-and-printability-for-dense-and-strong-ceramics-by-direct-ink-writing
#14
Amin M'Barki, Lydéric Bocquet, Adam Stevenson
Direct ink writing of dense and strong ceramic objects remains an important open challenge. We develop a universal dimensionless criterion for printing such objects. Boehmite, an Al2O3 precursor, was used to assess the rheological properties leading to dense structures in ceramics manufactured by direct ink writing. Boehmite suspensions undergo time dependent gelation, thus providing a rheological laboratory of flow behaviours that can be correlated with printability requirements. We measured the evolution of rheological properties over several days and quantified the deformation of simple printed shapes at different aging times...
July 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28729547/antarctic-sea-ice-region-as-a-source-of-biogenic-organic-nitrogen-in-aerosols
#15
Manuel Dall'Osto, Jurgita Ovadnevaite, Marco Paglione, David C S Beddows, Darius Ceburnis, Charlotte Cree, Pau Cortés, Marina Zamanillo, Sdena O Nunes, Gonzalo L Pérez, Eva Ortega-Retuerta, Mikhail Emelianov, Dolors Vaqué, Cèlia Marrasé, Marta Estrada, M Montserrat Sala, Montserrat Vidal, Mark F Fitzsimons, Rachael Beale, Ruth Airs, Matteo Rinaldi, Stefano Decesari, Maria Cristina Facchini, Roy M Harrison, Colin O'Dowd, Rafel Simó
Climate warming affects the development and distribution of sea ice, but at present the evidence of polar ecosystem feedbacks on climate through changes in the atmosphere is sparse. By means of synergistic atmospheric and oceanic measurements in the Southern Ocean near Antarctica, we present evidence that the microbiota of sea ice and sea ice-influenced ocean are a previously unknown significant source of atmospheric organic nitrogen, including low molecular weight alkyl-amines. Given the keystone role of nitrogen compounds in aerosol formation, growth and neutralization, our findings call for greater chemical and source diversity in the modelling efforts linking the marine ecosystem to aerosol-mediated climate effects in the Southern Ocean...
July 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28729379/functioning-metastatic-paraganglioma-of-the-urinary-bladder-in-a-10-year-old-child
#16
Alaeddine El Alayli, Mohammad Ali El Amine, Yaser El Hout, Lena Naffaa
Paragangliomas of the urinary bladder are very rare tumours representing less than 1% of bladder tumours. Preoperative diagnosis is essential to avoid perioperative complications related to catecholamine release. A high index of suspicion should be maintained when the classical symptoms of voiding-related paroxysms of headache, palpitation and dizziness are present. We present a rare case of malignant paraganglioma of the urinary bladder in a 10-year-old boy. The patient had the classic presentation. We review the radiological diagnostic tools and findings of this rare entity...
July 19, 2017: BMJ Case Reports
https://www.readbyqxmd.com/read/28729020/purification-of-cell-culture-derived-influenza-a-virus-via-continuous-anion-exchange-chromatography-on-monoliths
#17
Laura M Fischer, Michael W Wolff, Udo Reichl
The continuously increasing demand for potent and safe vaccines and the intensifying economic pressure on health care systems underlines the need for further optimization of vaccine manufacturing. Here, we focus on downstream processing of human influenza vaccines, investigating the purification of serum-free cell culture-derived influenza virus (A/PR/8/34 H1N1) using continuous chromatography. Therefore, quaternary amine anion exchange monoliths (CIM® QA) were characterized for their capacity to capture virus particles from animal cells cultivated in different media and their ability to separate virions from contaminating host cell proteins and DNA...
July 17, 2017: Vaccine
https://www.readbyqxmd.com/read/28728599/a-phase-iii-randomized-two-armed-double-blind-parallel-active-controlled-and-non-inferiority-clinical-trial-to-compare-efficacy-and-safety-of-biosimilar-adalimumab-cinnora%C3%A2-to-the-reference-product-humira%C3%A2-in-patients-with-active-rheumatoid-arthritis
#18
Ahmadreza Jamshidi, Farhad Gharibdoost, Mahdi Vojdanian, Soosan G Soroosh, Mohsen Soroush, Arman Ahmadzadeh, Mohammad Ali Nazarinia, Mohammad Mousavi, Hadi Karimzadeh, Mohammad Reza Shakibi, Zahra Rezaieyazdi, Maryam Sahebari, Asghar Hajiabbasi, Ali Asghar Ebrahimi, Najmeh Mahjourian, Amin Mohammadinejad Rashti
BACKGROUND: This study aimed to compare efficacy and safety of test-adalimumab (CinnoRA®, CinnaGen, Iran) to the innovator product (Humira®, AbbVie, USA) in adult patients with active rheumatoid arthritis (RA). METHODS: In this randomized, double-blind, active-controlled, non-inferiority trial, a total of 136 patients with active RA were randomized to receive 40 mg subcutaneous injections of either CinnoRA® or Humira® every other week, while receiving methotrexate (15 mg/week), folic acid (1 mg/day), and prednisolone (7...
July 20, 2017: Arthritis Research & Therapy
https://www.readbyqxmd.com/read/28728576/beneficial-effect-of-kidney-transplantation-from-a-deceased-donor-on-severe-chronic-refractory-intradialytic-hypotension-a-case-report
#19
Ewa Ignacak, Dominik Cieniawski, Alina Bętkowska-Prokop, Czesław Osuch, Marek Kuźniewski, Władysław Sułowicz
BACKGROUND: Chronic refractory hypotension (IDH, intradialytic hypotension) is a rare but serious problem encountered in patients on hemodialysis. Patients with chronic hypotension are often disqualified by transplant teams from renal transplantation. This is due to the possibility of an enormous risk of ischemic complications. CASE PRESENTATION: We describe a 44-year old female patient with severe refractory hypotension (mean BP 60/30 mmHg, the lowest 48/28 mmHg), which appeared after bilateral laparoscopic nephrectomy of the infected kidneys...
July 20, 2017: BMC Nephrology
https://www.readbyqxmd.com/read/28728349/occupational-risk-factors-among-iranian-farmworkers-a-review-of-the-available-evidence
#20
Mahin Ghafari, Zahra Cheraghi, Amin Doosti-Irani
Objectives: Farming is one of the most important components of most economies. There is not a comprehensive picture of the health status and work-related hazards among Iranian farmers. We aimed to determine the gaps in the current knowledge regarding the occupational health of Iranian farmworkers. Methods: Electronic databases including Medline, Web of Science, Scopus, and Embase, as well as national databases including the Scientific Information Database, MagIran, and Barakat Knowledge System, were searched for articles published until March 2017...
July 2, 2017: Epidemiology and Health
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