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Godwin U Ebiloma, Teresa Díaz Ayuga, Emmanuel O Balogun, Lucía Abad Gil, Anne Donachie, Marcel Kaiser, Tomás Herraiz, Daniel K Inaoka, Tomoo Shiba, Shigeharu Harada, Kiyoshi Kita, Harry P de Koning, Christophe Dardonville
African trypanosomiasis is a neglected parasitic disease that is still of great public health relevance, and a severe impediment to agriculture in endemic areas. The pathogens possess certain unique metabolic features that can be exploited for the development of new drugs. Notably, they rely on an essential, mitochondrially-localized enzyme, Trypanosome Alternative Oxidase (TAO) for their energy metabolism, which is absent in the mammalian hosts and therefore an attractive target for the design of safe drugs...
February 26, 2018: European Journal of Medicinal Chemistry
Anushka C Galasiti Kankanamalage, Yunjeong Kim, Vishnu C Damalanka, Athri D Rathnayake, Anthony R Fehr, Nurjahan Mehzabeen, Kevin P Battaile, Scott Lovell, Gerald H Lushington, Stanley Perlman, Kyeong-Ok Chang, William C Groutas
There are currently no approved vaccines or small molecule therapeutics available for the prophylaxis or treatment of Middle East Respiratory Syndrome coronavirus (MERS-CoV) infections. MERS-CoV 3CL protease is essential for viral replication; consequently, it is an attractive target that provides a potentially effective means of developing small molecule therapeutics for combatting MERS-CoV. We describe herein the structure-guided design and evaluation of a novel class of inhibitors of MERS-CoV 3CL protease that embody a piperidine moiety as a design element that is well-suited to exploiting favorable subsite binding interactions to attain optimal pharmacological activity and PK properties...
March 6, 2018: European Journal of Medicinal Chemistry
Irena Branyikova, Monika Filipenska, Katerina Urbanova, Marek C Ruzicka, Martin Pivokonsky, Tomas Branyik
Alkaline flocculation has been studied due to its potential as a low-cost harvesting method for microalgae. However, surface properties (zeta potential, contact angles) as inputs into physicochemical interaction models have not yet been applied systematically. In this work, forced alkaline flocculation of the freshwater microalgae Chlorella vulgaris induced by calcium phosphate precipitates was studied as a model system. Response surface methodology was used to quantify the effect of independent variables (concentration of Ca2+ (0...
March 6, 2018: Colloids and Surfaces. B, Biointerfaces
Mariana Avalos, Gilles P van Wezel, Jos M Raaijmakers, Paolina Garbeva
Microorganisms represent a large and still resourceful pool for the discovery of novel compounds to combat antibiotic resistance in human and animal pathogens. The ability of microorganisms to produce structurally diverse volatile compounds has been known for decades, yet their biological functions and antimicrobial activities have only recently attracted attention. Various studies revealed that microbial volatiles can act as infochemicals in long-distance cross-kingdom communication as well as antimicrobials in competition and predation...
March 12, 2018: Current Opinion in Microbiology
Nigel Scrutton, Uzma Choudry, Derren Heyes, Samantha Hardman, Michiyo Sakuma, Igor Sazanovich, Joyce Woodhouse, Eugenio De La Mora, Martin Pederson, Michael Wulff, Martin Weik, Giorgio Schiro
Phytochromes are bilin-containing photoreceptors that are typically sensitive to the red / far-red region of the visible spectrum. Recently phytochromes from certain eukaryotic algae have become attractive targets for optogenetic applications because of their unique ability to respond to multiple wavelengths of light. Here, we have used a combination of time-resolved spectroscopy and structural approaches across picosecond to second timescales to map photochemical mechanisms and structural change in this atypical group of phytochromes...
March 15, 2018: Chembiochem: a European Journal of Chemical Biology
Ileana-Andreea Ratiu, Hossam Al-Suod, Magdalena Ligor, Tomasz Ligor, Viorica Railean-Plugaru, Bogusław Buszewski
Cyclitols are phytochemicals naturally occurring in plant material which attracted an increasing interest due to multiple medicinal attributes, amongst the most important are the anti-diabetic, antioxidant and anti-cancer properties. Due to their valuable properties, sugars are used in food industry as sweeteners, preservatives, texture modifiers, fermentation substrates, flavoring and coloring agents. In this study we report for the first time the quantitative analysis of sugars and cyclitols isolated from Solidago virgaurea L...
March 15, 2018: Electrophoresis
Min Xu, Shulai Lei, Jing Qi, Qingyun Dou, Lingyang Liu, Yulan Lu, Qing Huang, Siqi Shi, Xingbin Yan
Two-dimensional (2D) Ti3C2 MXene has attracted great attention in electrochemical energy storage devices (supercapacitors, lithium-ion and sodium-ion batteries) due to its excellent electrical conductivity as well as high volumetric capacity. Nevertheless, existing study showed that multivalent Mg2+ ions cannot reversibly insert into MXene, resulting in a negligible capacity. Here we demonstrate a simple strategy to achieve high magnesium storage capability for Ti3C2 MXene by pre-intercalating a cationic surfactant cetyltrimethylammonium bromide (CTAB)...
March 15, 2018: ACS Nano
Y Dargaud, X Delavenne, D P Hart, S Meunier, P Mismetti
Over the past decades, haemophilia management has continually evolved, with prophylaxis now considered the treatment of choice. Prophylaxis primarily seeks to prevent bleeding and haemarthrosis episodes from occurring and avert the otherwise inevitable haemophilic arthropathy. Yet, numerous unanswered issues remain. These concern dose levels, dosing intervals, ways of integrating variability in bleeding phenotype, patient age, joint status, lifestyle, physical activity, treatment adherence and individual responses to FVIII or FIX concentrates...
March 2018: Haemophilia: the Official Journal of the World Federation of Hemophilia
Artur Lik, Sangeth Jenthra, Lars Fritze, Lars Müller, Khai-Nghi Truong, Holger Helten
The application of our newly developed B-C coupling method by catalytic Si/B exchange is demonstrated for the synthesis of a series of triarylboranes (1), monodisperse thienyl- and furylborane dimers (2) and trimers (9), extended oligomers (3) and polymers (3'), as well as mixed (oligo)thienyl-/furylboranes. The structures of 1aaTip, 1bbTip, and 2bbbMes*, determined by X-ray crystallography, reveal largely coplanar hetarene rings and BR3 environments, being most pronounced in the furylborane species. Photophysical investigations, supported by TD-DFT calculations, revealed pronounced pi-electron delocalization over the hetarene backbones including the boron centers...
March 15, 2018: Chemistry: a European Journal
Soo-Young Kang, Zhaoxia Ji, Ling-Fang Tseng, Sara A Turner, Dinara A Villanueva, Rhiannon Johnson, Ariana Albano, Robert Langer
Waterborne polyurethanes (WBPUs) have attracted increasing attention in a wide range of industrial applications because of their versatile properties as well as ecofriendly nature. Although extensive research has been carried out on WBPU synthesis, the roles of some of the key synthesis components remain unclear. In this study, through systematically controlling and fine tuning the precursor compositions and reaction conditions, over 300 WBPUs are synthesized. This research enables the roles of several key components that govern WBPU physicochemical properties and ultimately the potential WBPU applications to be identified...
March 15, 2018: Advanced Materials
Fatemeh Faraji, Nader Tajik, Mahdi Behdani, Mohammad Ali Shokrgozar, Amir Hassan Zarnani, Fatemeh Shahhosseini, Mahdi Habibi-Anbouhi
CD22 is a B-cell-specific trans-membrane glycoprotein which is found on the surface of the most B-cells and modulates their function, survival, and apoptosis. Recently, targeting this cell surface biomarker in B-cell malignancies and disorders has attracted a lot of attention. The variable domain of camelid single chain antibodies (VHH, Nanobody) is a form of antibodies with novel properties including small size (15-17 kDa), thermal and chemical stability, high affinity and homology to human antibody sequences...
March 15, 2018: Biotechnology and Applied Biochemistry
Anne-Laure Fameau, Fabrice Cousin, Romain Derrien, Arnaud Saint-Jalmes
Thermoresponsive foams that refer to foams for which the stability can be switched between the stable and unstable state have recently attracted growing interest due to their possible industrial applications. Our approach to design such foams is based on the use of fatty acids, with various counterions and molar ratios. It is the first example of foams with a temperature threshold of destabilization which can be continuously set between 20 °C and 75 °C.
March 15, 2018: Soft Matter
Lu Wang, Weiyu Song, Jianlin Deng, Huiling Zheng, Jian Liu, Zhen Zhao, Manglai Gao, Yuechang Wei
The photocatalytic N2O dissociation on anatase TiO2 is an attractive reaction and the mechanism of the photocalytic process, the role of excited electrons, and the favorable facet for higher activity need a more detailed study at the molecular level. Using DFT + U calculations, we investigate the dissociation process of N2O into N2 with and without photoexcited electrons on anatase TiO2 (001) and (101) facets to unravel such puzzles. The optical absorption properties of TiO2 (001) and (101) facets are compared in combination with electronic analysis...
March 15, 2018: Nanoscale
Jonathan M Casper, Jung-Hwan Jeon
The purpose of this study was to examine psychological connection to the sport of pickleball by investigating active older adults (55 years and older) in relation to behavioral involvement and motives for participation. Data were collected via an online survey of a representative sample of active pickleball players in North Carolina (N = 690). The Psychological Continuum Model (PCM: Funk, 2008) categorized players into four distinct connection levels of Awareness, Attraction, Attachment, and Allegiance. Participants on each PCM level were analyzed based on playing length, play frequency, and motivations for participation (Competition, Diversion, Fitness, Skill Mastery, and Socialization)...
March 15, 2018: Journal of Aging and Physical Activity
K N Jarvis, J A Devlin, T E Wall, B E Sauer, M R Tarbutt
We present the properties and advantages of a new magneto-optical trap (MOT) where blue-detuned light drives "type-II" transitions that have dark ground states. Using ^{87}Rb, we reach a radiation-pressure-limited density exceeding 10^{11}  cm^{-3} and a temperature below 30  μK. The phase-space density is higher than in normal atomic MOTs and a million times higher than comparable red-detuned type-II MOTs, making the blue-detuned MOT particularly attractive for molecular MOTs, which rely on type-II transitions...
February 23, 2018: Physical Review Letters
Fenhong Song, Dapeng Ju, Fangwei Gu, Yan Liu, Yuan Ji, Yulin Ren, Xiaocong He, Baoyong Sha, Ben Q Li, Qingzhen Yang
Electric field induced micro/nano patterns in thin polymer film, sometimes referred as electrohydrodynamic patterning, is a promising technique to fabricate micro/nano structures. Extensive attentions have been attracted due to its advantages in micro contact (easy demolding) and low cost. Although considerable work has been done on this technique, including both experimental and theoretical ones, there still appears a requirement for understanding the mechanism of electrohydrodynamic patterning. Thus we systematically studied the effect of different parameters on electrohydrodynamic patterning with a numerical phase field model...
March 15, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
Musammir Khan, Janne T Koivisto, Terttu I Hukka, Mikko Hokka, Minna Kellomäki
Biopolymers are attractive candidates to fabricate biocompatible hydrogels, but the low water solubility of most of them at physiological pH, has hindered their applications. To prepare a water-soluble derivative of chitosan (WSC) biopolymer, it was grafted with a small anionic amino acid, L-glutamic acid, using a single step 1-Ethyl-3-[3-dimethylaminopropyl] carbodiimide coupling reaction. This resulted in a zwitterion-tethered structure onto the polymer backbone. The degree of substitution ranged between 13-16 ± 1...
March 15, 2018: ACS Applied Materials & Interfaces
Geraldine Dowling, Pierce V Kavanagh, Hans-Georg Eckhardt, Brendan Twamley, Gary Hessman, Gavin McLaughlin, John O' Brien, Simon D Brandt
Nitrazolam and clonazolam are two designer benzodiazepines that are available from internet retailers and there is growing evidence suggesting that such compounds have the potential to cause severe adverse events. Information about tolerability in humans is scarce but typically, low doses can be difficult to administer for users when handling bulk material and variability of the active ingredient in tablet formulations can also be of a concern. Customs, toxicology and forensic laboratories are increasingly encountering designer benzodiazepines, both in tablet and powdered forms, and the unavailability of reference standards can impact on the ability to identify these compounds...
March 15, 2018: Drug Testing and Analysis
Zehang Zhou, Weerapha Panatdasirisuk, Tyler S Mathis, Babak Anasori, Canhui Lu, Xinxing Zhang, Zhiwei Liao, Yury Gogotsi, Shu Yang
Free-standing, highly flexible and foldable supercapacitor electrodes were fabricated through the spray-coating assisted layer-by-layer assembly of Ti3 C2 Tx (MXene) nanoflakes together with multi-walled carbon nanotubes (MWCNTs) on electrospun polycaprolactone (PCL) fiber networks. The open structure of the PCL network and the use of MWCNTs as spacers not only limit the restacking of Ti3 C2 Tx flakes but also increase the accessible surface of the active materials, facilitating fast diffusion of electrolyte ions within the electrode...
March 15, 2018: Nanoscale
Juan Zhao, Zhihe Chi, Zhan Yang, Xiaojie Chen, Michael S Arnold, Yi Zhang, Jiarui Xu, Zhenguo Chi, Matthew P Aldred
Truly stretchable electronics, wherein all components themselves permit elastic deformation as the whole devices are stretched, exhibit unique advantages over other strategies, such as simple fabrication process, high integrity of entire components and intimate integration with curvilinear surfaces. In contrast to the stretchable devices using stretchable interconnectors to integrate with rigid active devices, truly stretchable devices are realized with or without intentionally employing structural engineering (e...
March 15, 2018: Nanoscale
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