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https://www.readbyqxmd.com/read/28644908/photoactive-surface-grafted-polymer-brushes-with-phthalocyanine-bridging-groups-as-an-advanced-architecture-for-light-harvesting
#1
Michał Szuwarzyński, Karol Wolski, Agata Pomorska, Tomasz Uchacz, Arkadiusz Gut, Łukasz Łapok, Szczepan Zapotoczny
Surface-grafted polymer brushes of novel ladder-like architecture were proposed for inducing ordering of chromophores embedded therein. The brushes with acetylene side groups were obtained by surface-initiated photoiniferter-mediated polymerization. The acetylene moieties reacted then via "click" process with an axially azide-bifunctionalized silicon phthalocyanine bridging the neighboring chains that inherently adopt extended conformations in dense brushes. FTIR, quartz crystal microbalance, atomic force microscopy were used to study formation and structure of the photoactive brushes varying in grafting densities...
June 23, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28644624/extensive-assessment-of-various-computational-methods-for-aspartate-s-pka-shift
#2
Zhaoxi Sun, Xiaohui Wang, Jianing Song
A series of computational methods for pKa shift prediction are extensively tested on a set of benchmark protein systems, aiming at identifying pitfalls and evaluating their performance on high variants. Including 19 ASP residues in 10 protein systems, the benchmark set consists of both residues with highly shifted pKa values as well as those varying little from the reference value, with an experimental RMS free energy differences of 2.49 kcal/mol with respect to blocked amino acid, namely the RMS pKa shift being 1...
June 23, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28644620/nanofibrous-smart-fabrics-from-twisted-yarns-of-electrospun-piezo-polymer
#3
Enlong Yang, Zhe Xu, Lucas Chur, Ali Behroozfar, Mahmoud Baniasadi, Salvador Moreno, Jiacheng Huang, Jules Gilligan, Majid Minary-Jolandan
Smart textiles are envisioned to make a paradigm shift in wearable technologies to directly impart functionality into the fibers rather than integrating sensors and electronics onto conformal substrates or skin in wearable devices. Among smart materials, piezoelectric fabrics have not been widely reported, yet. Piezoelectric smart fabrics can be used for mechanical energy harvesting, for thermal energy harvesting through the pyroelectric effect, for ferroelectric applications, as pressure and force sensors, for motion detection, and for ultrasonic sensing...
June 23, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28644528/a-systematic-1-h-and-13-c-nmr-spectral-analysis-of-bicyclo-n-3-1-alkanone-systems-determination-of-the-relative-configuration-of-the-stereogenic-centres-and-conformation-of-the-six-membered-ring
#4
Giorgio Giorgi, Pilar López-Alvarado, J Carlos Menéndez
No abstract text is available yet for this article.
June 23, 2017: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/28644485/probing-the-early-stages-of-photoreception-in-photoactive-yellow-protein-with-ultrafast-time-domain-raman-spectroscopy
#5
Hikaru Kuramochi, Satoshi Takeuchi, Kento Yonezawa, Hironari Kamikubo, Mikio Kataoka, Tahei Tahara
Unveiling the nuclear motions of photoreceptor proteins in action is a crucial goal in protein science in order to understand their elaborate mechanisms and how they achieve optimal selectivity and efficiency. Previous studies have provided detailed information on the structures of intermediates that appear during the later stages (>ns) of such photoreception cycles, yet the initial events immediately after photoabsorption remain unclear because of experimental challenges in monitoring nuclear rearrangements on ultrafast timescales, including protein-specific low-frequency motions...
July 2017: Nature Chemistry
https://www.readbyqxmd.com/read/28644472/placing-and-shaping-liposomes-with-reconfigurable-dna-nanocages
#6
Zhao Zhang, Yang Yang, Frederic Pincet, Marc C Llaguno, Chenxiang Lin
The diverse structure and regulated deformation of lipid bilayer membranes are among a cell's most fascinating features. Artificial membrane-bound vesicles, known as liposomes, are versatile tools for modelling biological membranes and delivering foreign objects to cells. To fully mimic the complexity of cell membranes and optimize the efficiency of delivery vesicles, controlling liposome shape (both statically and dynamically) is of utmost importance. Here we report the assembly, arrangement and remodelling of liposomes with designer geometry: all of which are exquisitely controlled by a set of modular, reconfigurable DNA nanocages...
June 23, 2017: Nature Chemistry
https://www.readbyqxmd.com/read/28644006/structure-of-the-forkhead-domain-of-foxa2-bound-to-a-complete-dna-consensus-site
#7
Jun Li, Ana Carolina Dantas Machado, Ming Guo, Jared M Sagendorf, Zhan Zhou, Longying Jiang, Xiaojuan Chen, Daichao Wu, Lingzhi Qu, Zhu-Chu Chen, Lin Chen, Remo Rohs, Yongheng Chen
FOXA2, a member of the forkhead family of transcription factors, plays essential roles in liver development and bile acid homeostasis. In this study, we report a 2.8 Å co-crystal structure of the FOXA2 DNA-binding domain (FOXA2-DBD) bound to a DNA duplex containing a forkhead consensus binding site (GTAAACA). FOXA2-DBD adopts the canonical winged-helix fold, with helix H3 and wing 1 regions mainly mediating the DNA recognition. Although the wing 2 region was not defined in the structure, isothermal titration calorimetry (ITC) assays suggested that this region was required for optimal DNA binding...
June 23, 2017: Biochemistry
https://www.readbyqxmd.com/read/28643890/anatomical-evaluation-of-the-thoracolumbar-nerves-related-to-the-transversus-abdominis-plane-block-technique-in-the-dog
#8
F E Castañeda-Herrera, E F Buriticá-Gaviria, D F Echeverry-Bonilla
Transversus abdominis plane (TAP) is a fascial plane containing the thoracolumbar nerve branches that innervate the abdominal wall. Limited information is available on the anatomical organization of these nerve branches in the dog, which is of great importance for the success of the TAP block anaesthetic technique. The aim of this study was to describe the origin and conformation of thoracolumbar nerves running through the TAP in 20 hemi-abdominal walls of 10 adult mongrel dog cadavers with an average body weight of 12...
June 23, 2017: Anatomia, Histologia, Embryologia
https://www.readbyqxmd.com/read/28643878/frameless-stereotactic-radiotherapy-alone-and-combined-with-temozolomide-for-presumed-canine-gliomas
#9
M Dolera, L Malfassi, C Bianchi, N Carrara, S Finesso, S Marcarini, G Mazza, S Pavesi, M Sala, G Urso
We evaluated stereotactic volume modulated arc radiotherapy (VMAT) for canine gliomas, alone (radiotherapy [RT]) and in combination with temozolomide (RT + TMZ), compared with palliation. Overall and disease-specific survival times were estimated. Thirty dogs were palliated, 22 dogs were treated with RT and 20 with RT + TMZ. Complete and partial responses were observed in 63.2% and 90.9% of patients in the RT and RT + TMZ arms, respectively, that were alive at 1 year. Median survival in the palliation arm was 94 days (95% conformity index [CI] 87÷101)...
June 23, 2017: Veterinary and Comparative Oncology
https://www.readbyqxmd.com/read/28643745/adjuvant-hypofractionated-radiation-in-carcinoma-breast-photon-versus-electron-comparison-of-treatment-outcome
#10
G Prameela Chelakkot, Rahul Ravind, K Sruthi, Namrata Chigurupati, Sanketh Kotne, Raghavendra Holla, Ram Madhavan, M Dinesh
BACKGROUND: Breast cancer tissue is sensitive to hypofractionation. This is an analysis of patients treated with hypofractionated protocols since 2009, at our tertiary cancer center. METHODS: Details of breast cancer patients treated with adjuvant hypofractionated external beam radiation therapy (EBRT) from January 2009 to December 2014 were retrieved and analyzed. RESULTS: One thousand seven hundred and eighty patients received adjuvant EBRT during this period...
April 2017: Journal of Cancer Research and Therapeutics
https://www.readbyqxmd.com/read/28643574/stability-and-in-vitro-release-behaviour-of-encapsulated-omega-fatty-acid-rich-oils-in-lentil-protein-isolate-based-microcapsules
#11
C Chang, M T Nickerson
The objective of this study was to investigate the use of a lentil protein isolate-based microcapsule design as a platform for entrapping different types of omega fatty acid-rich oil (e.g. canola, fish and flaxseed oils) and to characterise differences in the physical properties (e.g. moisture content, water activity, colour, wettability, particle size, surface oil and entrapment efficiency), storage stability and in vitro release behaviour of the entrapped oils. All microcapsules displayed similar physical properties regardless of the core material...
June 23, 2017: International Journal of Food Sciences and Nutrition
https://www.readbyqxmd.com/read/28643528/modulating-release-of-ranibizumab-and-aflibercept-from-thiolated-chitosan-based-hydrogels-for-potential-treatment-of-ocular-neovascularization
#12
Miguel Moreno, Poh Yih Pow, Tan Su Teng Tabitha, Sonali Nirmal, Andreas Larsson, Krishna Radhakrishnan, Jayabalan Nirmal, Soo Tng Quah, Susana Geifman Shochat, Rupesh Agrawal, Subbu Venkatraman
BACKGROUND: This paper describes the synthesis of thiolated chitosan-based hydrogels with varying degrees of crosslinking that has been utilized to modulate release kinetics of two clinically relevant FDA-approved anti-VEGF protein drugs, ranibizumab and aflibercept. These hydrogels have been fabricated into disc shaped structures for potential use as patches on ocular surface. METHODS: Protein conformational changes and aggregation after loading and release was evaluated by circular dichroism (CD), steady-state tryptophan fluorescence spectroscopy, electrophoresis and size-exclusion chromatography (SEC)...
June 23, 2017: Expert Opinion on Drug Delivery
https://www.readbyqxmd.com/read/28643423/heterocorrole-conformations-little-saddling-much-ruffling
#13
Jörn Rösner, Birte Cordes, Stefanie Bahnmüller, Gabor Homolya, Dimitri Sakow, Peter Schweyen, Richard Wicht, Martin Bröring
10-Heterocorrole complexes with oxygen, sulfur, and selenium at position 10 of the macrocycle, and with the divalent ions of nickel, copper, and palladium were prepared and investigated. The focus was set onto the size adaptation and matching mechanisms of cavity sizes vs. ionic radii in corrole-type macrocycles. A full set of single crystal X-ray analyses was obtained and revealed that in all but one case the N4 binding site of the ring-contracted tetrapyrrole is larger than necessary to bind the metal ion without deformation...
June 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28643003/recent-developments-in-solution-nuclear-magnetic-resonance-nmr-based-molecular-biology
#14
REVIEW
Joshua J Ziarek, Diego Baptista, Gerhard Wagner
Visualizing post-translational modifications, conformations, and interaction surfaces of protein structures at atomic resolution underpins the development of novel therapeutics to combat disease. As computational resources expand, in silico calculations coupled with experimentally derived structures and functional assays have led to an explosion in structure-based drug design (SBDD) with several compounds in clinical trials. It is increasingly clear that "hidden" transition-state structures along activation trajectories can be harnessed to develop novel classes of allosteric inhibitors...
June 23, 2017: Journal of Molecular Medicine: Official Organ of the "Gesellschaft Deutscher Naturforscher und Ärzte"
https://www.readbyqxmd.com/read/28642936/young-genes-are-highly-disordered-as-predicted-by-the-preadaptation-hypothesis-of-de-novo-gene-birth
#15
Benjamin A Wilson, Scott G Foy, Rafik Neme, Joanna Masel
The phenomenon of de novo gene birth from junk DNA is surprising, because random polypeptides are expected to be toxic. There are two conflicting views about how de novo gene birth is nevertheless possible: the continuum hypothesis invokes a gradual gene birth process, while the preadaptation hypothesis predicts that young genes will show extreme levels of gene-like traits. We show that intrinsic structural disorder conforms to the predictions of the preadaptation hypothesis and falsifies the continuum hypothesis, with all genes having higher levels than translated junk DNA, but young genes having the highest level of all...
June 2017: Nature ecology & evolution
https://www.readbyqxmd.com/read/28642565/no-evidence-available-on-best-therapies-for-postextraction-haemorrhage
#16
Analia Veitz-Keenan, James Keenan
Data sourcesThe review searched for published and ongoing trials in several databases with no restrictions on language or date of publication which included the Cochrane Oral Health Group Trials, Central Register of Controlled Trials, Medline, CINAHL, Embase, WHO Clinical Trials Registry Platform and clinical trial.gov.Study selectionRandomised clinical trials were considered that evaluated any intervention compared with another or with placebo for treating postoperative bleeding (PEB), post extraction. The primary outcome measures sought were: bleeding, amount of blood loss and cessation time required to control bleeding...
June 23, 2017: Evidence-based Dentistry
https://www.readbyqxmd.com/read/28642456/predicting-conformational-ensembles-and-genome-wide-transcription-factor-binding-sites-from-dna-sequences
#17
Munazah Andrabi, Andrew Paul Hutchins, Diego Miranda-Saavedra, Hidetoshi Kono, Ruth Nussinov, Kenji Mizuguchi, Shandar Ahmad
DNA shape is emerging as an important determinant of transcription factor binding beyond just the DNA sequence. The only tool for large scale DNA shape estimates, DNAshape was derived from Monte-Carlo simulations and predicts four broad and static DNA shape features, Propeller twist, Helical twist, Minor groove width and Roll. The contributions of other shape features e.g. Shift, Slide and Opening cannot be evaluated using DNAshape. Here, we report a novel method DynaSeq, which predicts molecular dynamics-derived ensembles of a more exhaustive set of DNA shape features...
June 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28642368/the-influence-of-disulfide-bonds-on-the-mechanical-stability-of-proteins-is-context-dependent
#18
Aitor Manteca, Álvaro Alonso-Caballero, Marie Fertin, Simon Poly, David De Sancho, Raul Perez-Jimenez
Disulfide bonds play a crucial role in proteins, modulating their stability and constraining their conformational dynamics. A particularly important case is that of proteins that need to withstand forces arising from their normal biological function and that are often disulfide bonded. However, the influence of disulfides on the overall mechanical stability of proteins is poorly understood. Here, we used single-molecule force spectroscopy (smFS) to study the role of disulfide bonds in different mechanical proteins in terms of their unfolding forces...
June 22, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28642152/g-quadruplex-dynamics
#19
REVIEW
Robert W Harkness, Anthony K Mittermaier
G-quadruplexes (GQs) are four-stranded nucleic acid secondary structures formed by guanosine (G)-rich DNA and RNA sequences. It is becoming increasingly clear that cellular processes including gene expression and mRNA translation are regulated by GQs. GQ structures have been extensively characterized, however little attention to date has been paid to their conformational dynamics, despite the fact that many biological GQ sequences populate multiple structures of similar free energies, leading to an ensemble of exchanging conformations...
June 19, 2017: Biochimica et Biophysica Acta
https://www.readbyqxmd.com/read/28642127/exploiting-sequence-and-stability-information-for-directing-nanobody-stability-engineering
#20
Patrick Kunz, Tilman Flock, Nicolas Soler, Moritz Zaiss, Cécile Vincke, Yann Sterckx, Damjana Kastelic, Serge Muyldermans, Jörg D Hoheisel
BACKGROUND: Variable domains of camelid heavy-chain antibodies, commonly named nanobodies, have high biotechnological potential. In view of their broad range of applications in research, diagnostics and therapy, engineering their stability is of particular interest. One important aspect is the improvement of thermostability, because it can have immediate effects on conformational stability, protease resistance and aggregation propensity of the protein. METHODS: We analyzed the sequences and thermostabilities of 78 purified nanobody binders...
June 19, 2017: Biochimica et Biophysica Acta
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