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https://www.readbyqxmd.com/read/28654813/conformational-flexibility-and-base-pairing-tendency-of-the-tobacco-carcinogen-o6-4-oxo-4-3-pyridyl-butyl-guanine
#1
Katie A Wilson, Kariann G Szemethy, Stacey D Wetmore
The present work uses DFT calculations to characterize the conformational and hydrogen-bonding properties of O6-[4-oxo-4-(3-pyridyl)butyl]guanine (POB-G), a DNA adduct caused by tobacco. POB-G is found to adopt many isoenergetic conformations that allow for discrete interactions between the bulky moiety and the adducted G and/or pairing base. The calculated structure and stability of the hydrogen-bonded pairs between the Watson-Crick or Hoogsteen face of POB-G and the canonical DNA nucleobases fully rationalize the previously reported mutational spectra...
June 10, 2017: Biophysical Chemistry
https://www.readbyqxmd.com/read/28654118/camphyl-based-%C3%AE-diimine-palladium-complexes-highly-efficient-precatalysts-for-direct-arylation-of-thiazoles-in-open-air
#2
Fu-Min Chen, Dong-Dong Lu, Li-Qun Hu, Ju Huang, Feng-Shou Liu
Based on the strategy of the development of phosphine-free palladium-catalyzed direct C-H arylation, a series of camphyl-based α-diimine palladium complexes bearing sterically bulky substituents were synthesized and characterized. The palladium complexes were applied for the cross-coupling of thiazole derivatives with aryl bromides. The effect of the sterically bulky substituent on the N-aryl moiety as well as the reaction conditions was screened. Under the optimal protocols, a wide range of aryl bromides can be smoothly coupled with thiazoles in good to excellent yields in the presence of a low palladium loading of 0...
June 27, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28653847/glucuronides-as-potential-anionic-substrates-of-human-cytochrome-p450-2c8-cyp2c8
#3
Yong Ma, Yue Fu, S Cyrus Khojasteh, Deepak Dalvie, Donglu Zhang
Glucuronidation is in general considered as a terminal metabolic step that leads to direct elimination of drugs and generally abolishes their biological activity. However, there is growing evidence to suggest that glucuronides can be ligands of human CYP2C8, making CYP2C8 distinct from the other CYP isoforms. Several classes of glucuronide conjugates, which include acyl glucuronides, ether glucuronides, N-glucuronides, and carbamoyl glucuronides, have been shown to be substrates or time-dependent inhibitors of CYP2C8...
June 27, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28653832/rigidity-induced-delayed-fluorescence-by-ortho-donor-appended-triarylboron-compounds-record-high-efficiency-in-pure-blue-fluorescent-organic-light-emitting-diodes
#4
Young Hoon Lee, Sunghee Park, Jihun Oh, Jong Won Shin, Jaehoon Jung, Seunghyup Yoo, Min Hyung Lee
A synthetic approach to highly efficient thermally-activated delayed fluorescence (TADF) is proposed using ortho-donor (D)-acceptor (A) compounds (PXZoB, DPAoB, CzoB) wherein acceptor is based on triarylboron and donor is phenoxazine (PXZ), diphenylamine (DPA), or carbazole (Cz). Combined with the ortho-D-A connectivity, the bulky nature of the triarylboron endows the D-A dyads with inherent steric "locking" for highly twisted arrangement, leading to a small energy difference between singlet and triplet excited states (ΔEST) and thus exhibiting very efficient TADF with microsecond-range lifetimes...
June 27, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28651915/novel-analogs-of-n-acylhydroxyethylaminomethyl-4h-chromen-4-one-scaffold-as-il-5-inhibitors
#5
Hyun-Sun Yang, Eeda Venkateswararao, Pulla Reddy Boggu, Vinay K Sharma, Youngsoo Kim, Sang-Hun Jung
A number of N-acyl substituted hydroxyethylaminomethyl-4H-chromen-4-ones 6a-u were prepared and evaluated for their IL-5 inhibitory activity. Among them, the compound 6r (95.0% inhibition at 30µM, IC50=10.0µM, ClogP=4.1549) showed most potent inhibitory activity. The structure activity relationship revealed that the bulkier or hydrophobic substituents at urea, carbamate or amide group resulted in good inhibitory activity against IL-5. Moreover, electron donating group at phenyl ring (6g and 6s) is much more active than electron withdrawing group (6f)...
June 15, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/28651000/assessing-the-impact-of-benzo-a-pyrene-on-marine-mussels-application-of-a-novel-targeted-low-density-microarray-complementing-classical-biomarker-responses
#6
Mohamed Banni, Susanna Sforzini, Volker M Arlt, Audrey Barranger, Lorna J Dallas, Caterina Oliveri, Yann Aminot, Beniamina Pacchioni, Caterina Millino, Gerolamo Lanfranchi, James W Readman, Michael N Moore, Aldo Viarengo, Awadhesh N Jha
Despite the increasing use of mussels in environmental monitoring and ecotoxicological studies, their genomes and gene functions have not been thoroughly explored. Several cDNA microarrays were recently proposed for Mytilus spp., but putatively identified partial transcripts have rendered the generation of robust transcriptional responses difficult in terms of pathway identification. We developed a new low density oligonucleotide microarray with 465 probes covering the same number of genes. Target genes were selected to cover most of the well-known biological processes in the stress response documented over the last decade in bivalve species at the cellular and tissue levels...
2017: PloS One
https://www.readbyqxmd.com/read/28649139/kinetics-and-photochemistry-of-ruthenium-bisbipyridine-diacetonitrile-complexes-an-interdisciplinary-inorganic-and-physical-chemistry-laboratory-exercise
#7
Teresa L Rapp, Susan R Phillips, Ivan J Dmochowski
The study of ruthenium polypyridyl complexes can be widely applied across disciplines in the undergraduate curriculum. Ruthenium photochemistry has advanced many fields including dye-sensitized solar cells, photoredox catalysis, light-driven water oxidation, and biological electron transfer. Equally promising are ruthenium polypyridyl complexes that provide a sterically bulky, photolabile moiety for transiently "caging" biologically active molecules. Photouncaging involves the use of visible (1-photon) or near-IR (2-photon) light to break one or more bonds between ruthenium and coordinated ligand(s), which can occur on short time scales and in high quantum yields...
December 13, 2016: Journal of Chemical Education
https://www.readbyqxmd.com/read/28643138/distinguishing-gastric-anisakiasis-from-non-anisakiasis-using-unenhanced-computed-tomography
#8
Hirokazu Ashida, Takao Igarashi, Kazuhiko Morikawa, Kenji Motohashi, Kunihiko Fukuda, Naoto Tamai
PURPOSE: This study aimed to assess the diagnostic performance of unenhanced computed tomography (CT) for distinguishing gastric anisakiasis from non-anisakiasis gastric conditions and the reproducibility of CT findings. METHODS: Fifty-six anisakiasis and 74 non-anisakiasis cases with gastric wall thickening on urgent observation using unenhanced CT were included. Using a κ analysis, two radiologists independently assessed the reproducibility of CT findings, including "circumferential gastric wall thickening," "gastric wall thickening extending more than two segments," "bulky and low-density gastric wall thickening," "increase in peri-gastric fat density," and "ascites...
June 22, 2017: Abdominal Radiology
https://www.readbyqxmd.com/read/28640767/surgical-and-pathological-outcomes-of-laparoscopic-versus-abdominal-radical-hysterectomy-with-pelvic-lymphadenectomy-and-or-para-aortic-lymph-node-sampling-for-bulky-early-stage-cervical-cancer
#9
Tao Zhu, Xi Chen, Jianqing Zhu, Yaqing Chen, Aijun Yu, Lu Chen, Huafeng Shou, Meijuan Wu, Ping Zhang
BACKGROUND AND OBJECTIVES: The aim of this study was to compare the feasibility, morbidity, and recurrence rate of total laparoscopic radical hysterectomy (LRH) with those of abdominal radical hysterectomy (ARH) for bulky early-stage cervical cancer. METHODS: We performed a retrospective cohort study of 112 patients with stage IB1 or IIA2 cervical cancer in which the tumor diameter was 3 cm or greater. All patients underwent LRH (n = 30) or ARH (n = 82) with pelvic lymphadenectomy and/or para-aortic lymph node sampling between May 2011 and November 2014...
July 2017: International Journal of Gynecological Cancer
https://www.readbyqxmd.com/read/28638766/metalate-mediated-functionalization-of-p4-by-trapping-anionic-cp-fe-co-2-%C3%AE-1-p4-with-lewis-acids
#10
Jaap E Borger, Maarten K Jongkind, Andreas W Ehlers, Martin Lutz, J Chris Slootweg, Koop Lammertsma
The development of selective functionalization strategies of white phosphorus (P4) is important to avoid the current chlorinated intermediates. The use of transition metals (TMs) could lead to catalytic procedures, but these are severely hampered by the high reactivity and unpredictable nature of the tetrahedron. Herein, we report selective first steps by reacting P4 with a metal anion [Cp*Fe(CO)2](-) (Cp*=C5(CH3)5), which, in the presence of bulky Lewis acids (LA; B(C6F5)3 or BPh3), leads to unique TM-substituted LA-stabilized bicyclo[1...
June 2017: ChemistryOpen
https://www.readbyqxmd.com/read/28638456/temozolomide-and-bevacizumab-induction-before-chemoradiotherapy-in-patients-with-bulky-glioblastoma-and-or-with-severe-neurological-impairment
#11
Ilan Darmon, Mony Chenda Morisse, Alexandre Coutte, Marie Blonski, Emilie Le Rhun, Luc Taillandier, Diana Bello Roufai, Christine Desenclos, Stéphanie Trudel, Jean-Christophe Faivre, Nicolas Blanchard, Bruno Chauffert, Mathieu Boone
Background. New approaches are needed for patients newly diagnosed with bulky glioblastoma (GB) and/or with severe neurological impairment that cannot benefit from first line temozolomide (TMZ)-based chemoradiotherapy. Bevacizumab (BEV), an antiangiogenic anti-VEGF-R monoclonal antibody, has a rapid impact on tumor-related brain edema in recurrent GB. The present study reports the feasibility and efficacy of an induction treatment with TMZ and BEV to alleviate the initial neurological impairment and/or to reduce the tumor volume before a delayed chemoradiotherapy...
2017: Journal of Cancer
https://www.readbyqxmd.com/read/28636288/the-first-total-synthesis-of-ovafolinin-a-and-b-unique-polycyclic-benzoxepin-lignans-via-a-cascade-cyclization
#12
Samuel James Davidson, David Barker
Ovafolinins A and B, isolated from Lyonia ovalifolia var. elliptica, are lignans which contain a unique penta- and tetracyclic benzoxepin bridged aryl tetralin structure. We report the first total synthesis of these natural products initially utilizing an acyl-Claisen rearrangement to construct the lignan backbone with correct relative stereochemistry. Judicious use of a bulky protecting group placed reactive moieties in the correct orientation resulting in a cascade reaction forming the benzoxepin bridged aryl tetralin from a linear precursor in a single step...
June 21, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28635256/in-situ-gelation-induced-death-of-cancer-cells-based-on-proteinosomes
#13
Yuting Zhou, Jianmin Song, Lei Wang, Xuting Xue, Xiaoman Liu, Hui Xie, Xin Huang
Hydrogel is quite a nice kind of material, which can be utilized as the platform for cell culture. However, when bulky hydrogel was formed inside cancer cells, results would be changed. In this study, we showed a way of in situ gelation inside the cells which could induce the death of cancer cells. A glutathione (GSH) responsive proteinosomes, with nice biocompatibility, were prepared as carriers of sodium alginate to be endocytosed by cancer cells, where the chelation between sodium alginate and free calcium ions in the culture medium occurred during the diffusion process...
June 21, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28635187/the-viologen-cation-radical-pimer-a-case-of-dispersion-driven-bonding
#14
Margarita Geraskina, Andrew S Dutton, Mark Juetten, Samuel Wood, Arthur Winter
Pi bonds between organic radicals have generated recent excitement as an orthogonal interaction for designing self-assembling architectures in water. Here, we provide the first a systematic investigation of the effect of the viologen cation radical structure on the strength and nature of the pimer bond. A striking and unexpected feature of the this pi bond is that the bond strength is unchanged by substitution with electron-donating groups or withdrawing groups or with increased conjugation. Furthermore, the interaction is undiminished by sterically bulky N-alkyl groups...
June 20, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28634339/effective-synthesis-of-highly-oxidized-graphene-oxide-that-enables-wafer-scale-nanopatterning-preformed-acidic-oxidizing-medium-approach
#15
Chun-Hu Chen, Shin Hu, Jyun-Fu Shih, Chang-Ying Yang, Yun-Wen Luo, Ren-Huai Jhang, Chao-Ming Chiang, Yung-Jr Hung
Demand for rapid and massive-scale exfoliation of bulky graphite remains high in graphene commercialization and property manipulation. We report a procedure utilizing "preformed acidic oxidizing medium (PAOM)" as a modified version of the Hummers' method for fast and reliable synthesis of graphene oxide. Pre-mixing of KMnO4 and concentrated H2SO4 prior to the addition of graphite flakes enables the formation of effectively and efficiently oxidized graphene oxide (EEGO) featured by its high yields and suspension homogeneity...
June 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28632551/comparative-study-of-c-arms-for-intraoperative-3-dimensional-imaging-and-navigation-in-minimally-invasive-spine-surgery-part-i-applicability-and-image-quality
#16
Jan-Helge Klingler, Ronen Sircar, Christian Scheiwe, Evangelos Kogias, Florian Volz, Marie T Krüger, Ulrich Hubbe
STUDY DESIGN: This was a retrospective analysis. OBJECTIVE: This study compares 2 different 3-dimensional (3D) C-arm devices for intraoperative imaging and navigation with regard to clinical applicability and image quality. SUMMARY OF BACKGROUND DATA: Minimally invasive spine surgery requires intraoperative imaging techniques to adequately visualize the unexposed spine. For this purpose, mobile 3D C-arms became available along with the evolution of intraoperative navigation techniques...
July 2017: Clinical Spine Surgery
https://www.readbyqxmd.com/read/28631847/conjunction-of-pyrrole-and-amide-moieties-highly-anion-responsive-%C3%AF-electronic-molecules-forming-ion-free-and-ion-pairing-assemblies
#17
Atsuko Kuno, Norimitsu Tohnai, Nobuhiro Yasuda, Hiromitsu Maeda
Dipyrrolyldiketone BF2 complexes with amide units at pyrrole α-positions were synthesized in modest yields and showed extremely high anion-binding affinities due to multiple hydrogen-bonding interactions. The phenyl-amide-substituted derivative formed solid-state chiral helical structures, wherein π planes were oriented parallel to the helical directions. Examination of anion-binding behavior using 1H NMR combined with theoretical studies suggested fast pyrrole inversions, particularly, for the phenyl-amide-substituted derivative...
June 20, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28631354/cross-population-myelination-covariance-of-human-cerebral-cortex
#18
Zhiwei Ma, Nanyin Zhang
Cross-population covariance of brain morphometric quantities provides a measure of interareal connectivity, as it is believed to be determined by the coordinated neurodevelopment of connected brain regions. Although useful, structural covariance analysis predominantly employed bulky morphological measures with mixed compartments, whereas studies of the structural covariance of any specific subdivisions such as myelin are rare. Characterizing myelination covariance is of interest, as it will reveal connectivity patterns determined by coordinated development of myeloarchitecture between brain regions...
June 20, 2017: Human Brain Mapping
https://www.readbyqxmd.com/read/28629590/bulky-dna-adducts-tobacco-smoking-genetic-susceptibility-and-lung-cancer-risk
#19
Armelle Munnia, Roger W Giese, Simone Polvani, Andrea Galli, Filippo Cellai, Marco E M Peluso
The generation of bulky DNA adducts consists of conjugates formed between large reactive electrophiles and DNA-binding sites. The term "bulky DNA adducts" comes from early experiments that employed a (32)P-DNA postlabeling approach. This technique has long been used to elucidate the association between adducts and carcinogen exposure in tobacco smoke studies and assess the predictive value of adducts in cancer risk. Molecular data showed increased DNA adducts in respiratory tracts of smokers vs nonsmokers. Experimental studies and meta-analysis demonstrated that the relationship between adducts and carcinogens was linear at low doses, but reached steady state at high exposure, possibly due to metabolic and DNA repair pathway saturation and increased apoptosis...
2017: Advances in Clinical Chemistry
https://www.readbyqxmd.com/read/28623684/chimeric-reverse-temporal-muscle-and-pericranial-flap-for-double-layer-closure-of-deep-facial-defects
#20
Said Algan, Onder Tan, Murat Kara, Akin Inaloz, Mehmet Akif Cakmak, Osman Enver Aydin
PURPOSE: Volumetric or multiplane defects of the upper and midface remain a challenge for reconstruction because of limited regional flap options. In this study, the authors harvested the reverse temporalis muscle flap and pericranial flap (RTMP flap) based on the same vascular pedicle, the superficial temporal artery, in a chimeric manner to obtain double-layer closure of deep facial defects. MATERIALS AND METHODS: This study was a prospective case series performed in the Department of Plastic Surgery of Ataturk University (Erzurum, Turkey)...
May 24, 2017: Journal of Oral and Maxillofacial Surgery
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