keyword
MENU ▼
Read by QxMD icon Read
search

structural insight

keyword
https://www.readbyqxmd.com/read/29141206/role-of-the-pif1-pcna-complex-in-pol-%C3%AE-dependent-strand-displacement-dna-synthesis-and-break-induced-replication
#1
Olga Buzovetsky, Youngho Kwon, Nhung Tuyet Pham, Claire Kim, Grzegorz Ira, Patrick Sung, Yong Xiong
The S. cerevisiae Pif1 helicase functions with DNA polymerase (Pol) δ in DNA synthesis during break-induced replication (BIR), a conserved pathway responsible for replication fork repair and telomere recombination. Pif1 interacts with the DNA polymerase processivity clamp PCNA, but the functional significance of the Pif1-PCNA complex remains to be elucidated. Here, we solve the crystal structure of PCNA in complex with a non-canonical PCNA-interacting motif in Pif1. The structure guides the construction of a Pif1 mutant that is deficient in PCNA interaction...
November 14, 2017: Cell Reports
https://www.readbyqxmd.com/read/29140259/ramanomics-new-omics-disciplines-using-micro-raman-spectrometry-with-biomolecular-component-analysis-for-molecular-profiling-of-biological-structures
#2
REVIEW
Andrey N Kuzmin, Artem Pliss, Paras N Prasad
Modern instrumentation for Raman microspectroscopy and current techniques in analysis of spectral data provide new opportunities to study molecular interactions and dynamics at subcellular levels in biological systems. Implementation of biomolecular component analysis (BCA) to microRaman spectrometry provides basis for the emergence of Ramanomics, a new biosensing discipline with unprecedented capabilities to measure concentrations of distinct biomolecular groups in live cells and organelles. Here we review the combined use of microRaman-BCA techniques to probe absolute concentrations of proteins, DNA, RNA and lipids in single organelles of live cells...
November 15, 2017: Biosensors
https://www.readbyqxmd.com/read/29140089/effects-of-variable-boron-concentration-on-the-properties-of-superhard-tungsten-tetraboride
#3
Georgiy Akopov, Inwhan Roh, Zachary C Sobell, Michael T Yeung, Lisa Pangilinan, Christopher L Turner, Richard B Kaner
Tungsten tetraboride is an inexpensive, superhard material easily prepared at ambient pressure. Unfortunately, there are relatively few compounds in existence that crystallize in the same structure as tungsten tetraboride. Furthermore, the lack of data in the tetraboride phase space limits the discovery of any new superhard compounds that also possess high incompressibility and a three-dimensional boron network that withstands shear. Thus, the focus of the work here is to chemically probe the range of thermodynamically stable tetraboride compounds with respect to both the transition metal and the boron content...
November 15, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29140087/binuclear-cyclopentadienylmetal-methylene-sulfur-dioxide-complexes-of-rhodium-and-iridium-related-to-a-photochromic-metal-dithionite-complex
#4
Dongsheng Rong, Shida Gong, Chaoyang Wang, Qiong Luo, Qian-Shu Li, Yaoming Xie, R Bruce King, Henry F Schaefer
The photochromic dithionite complex Cp*2Rh2(μ-CH2)2(μ-O2SSO2) (Cp* = η(5)-Me5C5) is of interest because it undergoes an unusual fully reversible unimolecular photochemical rearrangement to the isodithionite complex Cp*2Rh2(μ-CH2)2(μ-O2SOSO). In order to obtain more insight into these systems, a comprehensive density functional theory study has been carried out on isomeric Cp2M2(CH2)2(SO2)2 (M = Rh, Ir) derivatives. The experimentally observed rhodium complexes with coupled sulfur dioxide (SO2) units to give dithionite or isodithionite ligands are surprisingly high-energy kinetic isomers in our analysis, reflecting the need for dithionite rather than SO2 for their synthesis...
November 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29140084/characterization-of-a-ugt84-family-glycosyltransferase-provides-new-insights-into-substrate-binding-and-reactivity-of-galloylglucose-ester-forming-ugts
#5
Alexander E Wilson, Xiaoxue Feng, Nadia N Ono, Doron Holland, Rachel Amir, Li Tian
Galloylated plant specialized metabolites play important roles in plant-environment interactions as well as the promotion of human and animal health. The galloylation reactions are mediated by the formation of galloylglucose esters from gallic acid and UDP-glucose, catalyzed by the plant UGT84 family glycosyltransferases. To explore and exploit the structural determinants of UGT84 activities, we performed homology modeling and substrate docking of PgUGT84A23, a galloylglucose ester-forming family 84 UGT, as well as sequence comparisons of PgUGT84A23 with other functionally characterized plant UGTs...
November 15, 2017: Biochemistry
https://www.readbyqxmd.com/read/29140075/strictosidine-synthase-triggered-enantioselective-synthesis-of-n-substituted-s-3-14-18-19-tetrahydroangustines-as-novel-topoisomerase-i-inhibitors
#6
Yunrui Cai, Huajian Zhu, Zaccary Alperstein, Wenjun Yu, Artem Cherkasov, Hongbin Zou
Monoterpenoid indole alkaloids (MIAs) comprise an important class of molecules for drug discovery, and these have variant carbon skeletons with prominent bioactivities. For instance, in spite of limitations to their use, camptothecins are the only clinically approved Topoisomerase I (Top1) inhibitors. The enzyme STR1, which is key for MIA biosynthesis, was applied to the enantioselective preparation of three N-substituted (S)-3,14,18,19-tetrahydroangustine (THA) derivatives. These non-camptothecin MIAs were shown to have moderate in vitro HepG2 cytotoxicity and Top1 inhibition activities...
November 15, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/29139606/two-stage-model-for-multivariate-longitudinal-and-survival-data-with-application-to-nephrology-research
#7
Ipek Guler, Christel Faes, Carmen Cadarso-Suárez, Laetitia Teixeira, Anabela Rodrigues, Denisa Mendonça
In many follow-up studies different types of outcomes are collected including longitudinal measurements and time-to-event outcomes. Commonly, it is of interest to study the association between them. Joint modeling approaches of a single longitudinal outcome and survival process have recently gained increasing attention from both frequentist and Bayesian perspective. However, in many studies several longitudinal biomarkers are of interest and instead of selecting one single biomarker, the relationships between all these outcomes and their association with survival needs to be investigated...
November 2017: Biometrical Journal. Biometrische Zeitschrift
https://www.readbyqxmd.com/read/29139509/nexafs-spectroscopy-of-ionic-liquids-experiments-versus-calculations
#8
Richard M Fogarty, Richard P Matthews, Matthew T Clough, Claire R Ashworth, Agnieszka Brandt-Talbot, Paul J Corbett, Robert G Palgrave, Richard A Bourne, Thomas W Chamberlain, Tom Vander Hoogerstraete, Paul B J Thompson, Patricia A Hunt, Nicholas A Besley, Kevin R J Lovelock
Experimental near edge X-ray absorption fine structure (NEXAFS) spectra are reported for 12 ionic liquids (ILs) encompassing a range of chemical structures for both the sulfur 1s and nitrogen 1s edges and compared with time-dependent density functional theory (TD-DFT) calculations. The energy scales for the experimental data were carefully calibrated against literature data. Gas phase calculations were performed on lone ions, ion pairs and ion pair dimers, with a wide range of ion pair conformers considered...
November 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29139491/supramolecular-block-copolymers-for-gene-delivery-enhancement-of-transfection-efficiency-by-charge-regulation
#9
Wumaier Yasen, Ruijiao Dong, Linzhu Zhou, Yu Huang, Dongbo Guo, Dong Chen, Chuanlong Li, Aliya Aini, Xinyuan Zhu
A class of cationic supramolecular block copolymers with readily controlled charges has been exploited. Upon post-synthetic structural optimization, this copolymer exhibits comparable biocompatibility, greatly improved pDNA condensation capability and biostability, and further enhanced transfection efficiency in vitro. This work provides valuable insight into the creation of advanced nonviral vectors for gene delivery.
November 15, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/29139332/the-views-of-adults-with-huntington-s-disease-on-assisted-dying-a-qualitative-exploration
#10
Laurence Regan, Nancy J Preston, Fiona J R Eccles, Jane Simpson
BACKGROUND: Assisted dying is frequently debated publicly and research often includes the views of health professionals on this issue. However, the views of people with life-limiting conditions, for whom this issue is likely to have a different resonance, are less well represented. AIM: The purpose of this study was to explore the views of people who live with the inevitability of developing Huntington's disease, a genetically transmitted disease which significantly limits life, on assisted dying...
November 1, 2017: Palliative Medicine
https://www.readbyqxmd.com/read/29139171/structural-insights-into-a-thermostable-variant-of-human-carbonic-anhydrase-ii
#11
Kelsey M Kean, Joseph J Porter, Ryan A Mehl, P Andrew Karplus
Carbonic anhydrase is an enzyme of interest for many biotechnological developments including carbon sequestration. These applications often require harsh conditions, so there is a need for the development of thermostable variants. One of the most thermostable human carbonic anhydrase II variants (HCAIIts) was patented in 2006. Here, we report the ultra-high resolution crystal structure of HCAIIts. The structural changes seen are consistent with each of the six mutations involved acting largely independently and variously resulting in increased H-bonding, improved packing, and reduced side chain entropy loss upon folding to yield the increased stability...
November 15, 2017: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/29139100/-guidelines-for-non-invasive-and-invasive-home-mechanical-ventilation-for-treatment-of-chronic-respiratory-failure-update-2017
#12
W Windisch, M Dreher, J Geiseler, K Siemon, J Brambring, D Dellweg, B Grolle, S Hirschfeld, T Köhnlein, U Mellies, S Rosseau, B Schönhofer, B Schucher, A Schütz, H Sitter, S Stieglitz, J Storre, M Winterholler, P Young, S Walterspacher
Today, invasive and non-invasive home mechanical ventilation have become a well-established treatment option. Consequently, in 2010 the German Society of Pneumology and Mechanical Ventilation (DGP) has leadingly published the guidelines on "Non-Invasive and Invasive Mechanical Ventilation for Treatment of Chronic Respiratory Failure". However, continuing technical evolutions, new scientific insights, and health care developments require an extensive revision of the guidelines.For this reason, the updated guidelines are now published...
November 2017: Pneumologie
https://www.readbyqxmd.com/read/29139026/structural-elucidation-of-novel-biomarkers-of-known-metabolic-disorders-based-on-multistage-fragmentation-mass-spectra
#13
Jan Václavík, Karlien L M Coene, Ivo Vrobel, Lukáš Najdekr, David Friedecký, Radana Karlíková, Lucie Mádrová, Aleksanteri Petsalo, Udo F H Engelke, Annemiek van Wegberg, Leo A J Kluijtmans, Tomáš Adam, Ron A Wevers
Specific diagnostic markers are the key to effective diagnosis and treatment of inborn errors of metabolism (IEM). Untargeted metabolomics allows for the identification of potential novel diagnostic biomarkers. Current separation techniques coupled to high-resolution mass spectrometry provide a powerful tool for structural elucidation of unknown compounds in complex biological matrices. This is a proof-of-concept study testing this methodology to determine the molecular structure of as yet uncharacterized m/z signals that were significantly increased in plasma samples from patients with phenylketonuria and 3-hydroxy-3-methylglutaryl-CoA lyase deficiency...
November 14, 2017: Journal of Inherited Metabolic Disease
https://www.readbyqxmd.com/read/29138908/amine-modified-magnetic-iron-oxide-nanoparticle-as-a-promising-carrier-for-application-in-bio-self-healing-concrete
#14
Mostafa Seifan, Alireza Ebrahiminezhad, Younes Ghasemi, Ali Khajeh Samani, Aydin Berenjian
Self-healing mechanisms are a promising solution to address the concrete cracking issue. Among the investigated self-healing strategies, the biotechnological approach is distinguished itself by inducing the most compatible material with concrete composition. In this method, the potent bacteria and nutrients are incorporated into the concrete matrix. Once cracking occurs, the bacteria will be activated, and the induced CaCO3 crystals will seal the concrete cracks. However, the effectiveness of a bio self-healing concrete strictly depends on the viability of bacteria...
November 14, 2017: Applied Microbiology and Biotechnology
https://www.readbyqxmd.com/read/29138777/expanding-the-structural-analysis-capabilities-on-an-orbitrap-based-mass-spectrometer-for-large-macromolecular-complexes
#15
Kyle L Fort, Michiel van de Waterbeemd, Dmitriy Boll, Maria Reinhardt-Szyba, Mikhail E Belov, Eita Sasaki, Reinhard Zschoche, Donald Hilvert, Alexander A Makarov, Albert J R Heck
Native mass spectrometry can provide insight into the structure of macromolecular biological systems. As analytes under investigation get larger and more complex, instrument capabilities need to be advanced. Herein, modifications to an Orbitrap Q Exactive Plus mass spectrometer that increase signal intensity, mass resolution, and maximum m/z measurable are described.
November 15, 2017: Analyst
https://www.readbyqxmd.com/read/29138773/cooperating-dipole-dipole-and-van-der-waals-interactions-driven-2d-self-assembly-of-fluorenone-derivatives-ester-chain-length-effect
#16
Meiqiu Dong, Kai Miao, Yi Hu, Juntian Wu, Jinxing Li, Peng Pang, Xinrui Miao, Wenli Deng
Two-dimensional supramolecular assemblies of a series of 2,7-bis(10-n-alkoxycarbonyl-decyloxy)-9-fluorenone derivatives (BAF-Cn, n = 1, 3-6) consisting of polar fluorenone moieties and ester alkoxy chains were investigated by scanning tunneling microscopy on highly oriented pyrolytic graphite surfaces. The chain-length effect was observed in the self-assembly of BAF-Cn. Self-assembly of BAF-C1 was composed of a linear I pattern, where the side chains adopted a fully interdigitated arrangement. As the length of side chains increased, the coexistence of a linear I pattern and a cyclic pattern for the self-assembly of BAF-C3 was observed...
November 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29138457/functional-annotation-of-structural-ncrnas-within-enhancer-rnas-in-the-human-genome-implications-for-human-disease
#17
Chao Ren, Feng Liu, Zhangyi Ouyang, Gaole An, Chenghui Zhao, Jun Shuai, Shuhong Cai, Xiaochen Bo, Wenjie Shu
Enhancer RNAs (eRNAs) are a novel class of non-coding RNA (ncRNA) molecules transcribed from the DNA sequences of enhancer regions. Despite extensive efforts devoted to revealing the potential functions and underlying mechanisms of eRNAs, it remains an open question whether eRNAs are mere transcriptional noise or relevant biologically functional species. Here, we identified a catalogue of eRNAs in a broad range of human cell/tissue types and extended our understanding of eRNAs by demonstrating their multi-omic signatures...
November 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29138424/structure-function-relationships-in-abcg2-insights-from-molecular-dynamics-simulations-and-molecular-docking-studies
#18
Ricardo J Ferreira, Cátia A Bonito, M Natália D S Cordeiro, Maria-José U Ferreira, Daniel J V A Dos Santos
Efflux pumps of the ATP-binding cassette transporters superfamily (ABC transporters) are frequently involved in the multidrug-resistance (MDR) phenomenon in cancer cells. Herein, we describe a new atomistic model for the MDR-related ABCG2 efflux pump, also named breast cancer resistance protein (BCRP), based on the recently published crystallographic structure of the ABCG5/G8 heterodimer sterol transporter, a member of the ABCG family involved in cholesterol homeostasis. By means of molecular dynamics simulations and molecular docking, a far-reaching characterization of the ABCG2 homodimer was obtained...
November 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29138320/structural-basis-for-antibody-recognition-of-the-nanp-repeats-in-plasmodium-falciparum-circumsporozoite-protein
#19
David Oyen, Jonathan L Torres, Ulrike Wille-Reece, Christian F Ockenhouse, Daniel Emerling, Jacob Glanville, Wayne Volkmuth, Yevel Flores-Garcia, Fidel Zavala, Andrew B Ward, C Richter King, Ian A Wilson
Acquired resistance against antimalarial drugs has further increased the need for an effective malaria vaccine. The current leading candidate, RTS,S, is a recombinant circumsporozoite protein (CSP)-based vaccine against Plasmodium falciparum that contains 19 NANP repeats followed by a thrombospondin repeat domain. Although RTS,S has undergone extensive clinical testing and has progressed through phase III clinical trials, continued efforts are underway to enhance its efficacy and duration of protection. Here, we determined that two monoclonal antibodies (mAbs 311 and 317), isolated from a recent controlled human malaria infection trial exploring a delayed fractional dose, inhibit parasite development in vivo by at least 97%...
November 14, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29138310/sparsity-enables-estimation-of-both-subcortical-and-cortical-activity-from-meg-and-eeg
#20
Pavitra Krishnaswamy, Gabriel Obregon-Henao, Jyrki Ahveninen, Sheraz Khan, Behtash Babadi, Juan Eugenio Iglesias, Matti S Hämäläinen, Patrick L Purdon
Subcortical structures play a critical role in brain function. However, options for assessing electrophysiological activity in these structures are limited. Electromagnetic fields generated by neuronal activity in subcortical structures can be recorded noninvasively, using magnetoencephalography (MEG) and electroencephalography (EEG). However, these subcortical signals are much weaker than those generated by cortical activity. In addition, we show here that it is difficult to resolve subcortical sources because distributed cortical activity can explain the MEG and EEG patterns generated by deep sources...
November 14, 2017: Proceedings of the National Academy of Sciences of the United States of America
keyword
keyword
111937
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"