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https://www.readbyqxmd.com/read/28231521/therapeutic-journey-of-2-4-thiazolidinediones-as-a-versatile-scaffold-an-insight-into-structure-activity-relationship
#1
REVIEW
Mohd Javed Naim, Md Jahangir Alam, Shujauddin Ahmad, Farah Nawaz, Neelima Shrivastava, Meeta Sahu, Ozair Alam
Thiazolidinedione is an important heterocyclic ring system, a pharmacophore and a privileged scaffold in medicinal chemistry; is a derivative of thiazolidine ring which came into existence for its role as antihyperglycemic agent and a specific ligand of PPAR's (Peroxisome proliferator activated receptor). Exhaustive research has led to determination of its vast biological profile with wide range of therapeutic applications. This review covers recent pharmacological advancements of thiazolidinedione moiety along with structure activity relationship so as to provide better correlation among different structures and their receptor interactions...
February 20, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28231452/proteome-scale-identification-classification-and-structural-analysis-of-iron-binding-proteins-in-bread-wheat
#2
Shailender Kumar Verma, Ankita Sharma, Padmani Sandhu, Neha Choudhary, Shailaja Sharma, Vishal Acharya, Yusuf Akhter
Bread wheat is one of the major staple foods of worldwide population and iron plays a significant role in growth and development of the plant. In this report, we are presenting the genome wide identification of iron-binding proteins in bread wheat. The wheat genome derived putative proteome was screened for identification of iron-binding sequence motifs. Out of 602 putative iron-binding proteins, 130 were able to produce reliable structural models by homology techniques and further analyzed for the presence of iron-binding structural motifs...
February 14, 2017: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/28231077/association-of-genetic-variation-in-the-tachykinin-receptor-3-locus-with-hot-flashes-and-night-sweats-in-the-women-s-health-initiative-study
#3
Carolyn J Crandall, JoAnn E Manson, Chancellor Hohensee, Steve Horvath, Jean Wactawski-Wende, Erin S LeBlanc, Mara Z Vitolins, Rami Nassir, Janet S Sinsheimer
OBJECTIVE: Vasomotor symptoms (VMS, ie, hot flashes or night sweats) are reported by many, but not all, women. The extent to which VMS are genetically determined is unknown. We evaluated the relationship of genetic variation and VMS. METHODS: In this observational study, we accessed data from three genome-wide association studies (GWAS) (SNP Health Association Resource cohort [SHARe], WHI Memory Study cohort [WHIMS+], and Genome-Wide Association Studies of Treatment Response in Randomized Clinical Trials [GARNET] studies, total n = 17,695) of European American, African American, and Hispanic American postmenopausal women aged 50 to 79 years at baseline in the Women's Health Initiative Study...
March 2017: Menopause: the Journal of the North American Menopause Society
https://www.readbyqxmd.com/read/28231002/mid-infrared-photoluminescence-up-to-290-k-reveals-radiative-mechanisms-and-substrate-doping-type-effects-of-inas-nanowires
#4
Xiren Chen, Qiandong Zhuang, Hayfaa Alradhi, ZhiMing Jin, Liangqing Zhu, Xin Chen, Jun Shao
Photoluminescence (PL) as a conventional yet powerful optical spectroscopy may provide crucial insight into the mechanism of carrier recombination and bandedge structure in semiconductors. In this study, mid-infrared PL measurements on vertically aligned InAs nanowires (NWs) are realized for the first time in a wide temperature range of up to 290 K, by which the radiative recombinations are clarified in the NWs grown on n- and p-type Si substrates, respectively. A dominant PL feature is identified to be from the type-II optical transition across the interfaces between the zinc-blend (ZB) and the wurtzite (WZ) InAs, a lower-energy feature at low temperatures is ascribed to impurity-related transition, and a higher-energy feature at high temperatures originates in the interband transition of the WZ InAs being activated by thermal-induced electron transfer...
February 23, 2017: Nano Letters
https://www.readbyqxmd.com/read/28230998/influence-of-the-anomeric-conformation-in-the-intermolecular-interactions-of-glucose
#5
Imanol Usabiaga, Jorge González, Iker León, Pedro Felipe Arnaiz, Emilio J Cocinero, Jose A Fernandez
Carbohydrates are together with amino acids, DNA bases and lipids the building blocks of living beings. They play a central role in basic functions as immunity and signaling, which are governed by non-covalent interactions between sugar units and/or with other biomolecules. To get insights on such interactions between monosaccharide units, we used a combination of mass-resolved laser spectroscopy in supersonic expansions and molecular structure calculations. The results obtained clearly demonstrate that the small stability difference between the α/β anomers of glucopyranose derivatives is reversed and amplified during molecular aggregation, making the complexes of the β-anomers significantly more stable...
February 23, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28230971/multifaceted-gold-palladium-bimetallic-nanorods-and-their-geometric-compositional-and-catalytic-tunabilities
#6
Lichao Sun, Qingfeng Zhang, Guangfang Grace Li, Esteban Villarreal, Xiaoqi Fu, Hui Wang
Kinetically controlled, seed-mediated coreduction provides a robust and versatile synthetic approach to multimetallic nanoparticles with precisely controlled geometries and compositions. Here we demonstrate that single-crystalline cylindrical Au nanorods selectively transform into a series of structurally distinct Au@Au-Pd alloy core-shell bimetallic nanorods with exotic multifaceted geometries enclosed by specific types of facets upon seed-mediated Au-Pd coreduction under diffusion controlled conditions. By adjusting several key synthetic parameters, such as the Pd/Au precursor ratio, the reducing agent concentration, the capping surfactant concentration, and foreign metal ion additives, we have been able to simultaneously fine-tailor the atomic-level surface structures and fine-tune the compositional stoichiometries of the multifaceted Au-Pd bimetallic nanorods...
February 23, 2017: ACS Nano
https://www.readbyqxmd.com/read/28230871/an-in-situ-tem-study-of-the-surface-oxidation-of-palladium-nanocrystals-assisted-by-electron-irradiation
#7
Dejiong Zhang, Chuanhong Jin, He Tian, Yalin Xiong, Hui Zhang, Peisheng Qiao, Jie Fan, Ze Zhang, Z Y Li, Jixue Li
The surface oxidation of palladium nanocrystals plays an important role in changing the active sites and subsequently influencing the catalytic reactivity. Such a microscopy study on surface oxidation, down to the atomic scale, is essential for understanding the structure-property correlations of palladium nanocrystal based catalysts. Herein, we present an in situ atomic scale study on the surface oxidation behavior of palladium nanocrystals, which is induced by electron beam irradiation under low oxygen partial pressure and at room temperature inside an environmental transmission electron microscope...
February 23, 2017: Nanoscale
https://www.readbyqxmd.com/read/28230868/tuning-calcium-biosensors-with-a-single-site-mutation-structural-dynamics-insights-from-femtosecond-raman-spectroscopy
#8
Sean R Tachibana, Longteng Tang, Yanli Wang, Liangdong Zhu, Weimin Liu, Chong Fang
Fluorescent protein biosensors are popular reporters for biological processes and life sciences, but their fundamental working mechanisms remain unclear. To characterize the functional fluorescence events on their native timescales, we implemented wavelength-tunable femtosecond stimulated Raman spectroscopy (FSRS) to shed light on a blue-green emission-ratiometric fluorescent protein based Ca(2+) biosensor with a single Pro377Arg mutation. The transient Raman modes of the embedded chromophore from ca. 1000-1650 cm(-1) exhibit characteristic intensity and frequency dynamics which infer the underlying atomic motions and photochemical reaction stages...
February 23, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28230838/studying-neuroanatomy-using-mri
#9
REVIEW
Jason P Lerch, André J W van der Kouwe, Armin Raznahan, Tomáš Paus, Heidi Johansen-Berg, Karla L Miller, Stephen M Smith, Bruce Fischl, Stamatios N Sotiropoulos
The study of neuroanatomy using imaging enables key insights into how our brains function, are shaped by genes and environment, and change with development, aging and disease. Developments in MRI acquisition, image processing and data modeling have been key to these advances. However, MRI provides an indirect measurement of the biological signals we aim to investigate. Thus, artifacts and key questions of correct interpretation can confound the readouts provided by anatomical MRI. In this review we provide an overview of the methods for measuring macro- and mesoscopic structure and for inferring microstructural properties; we also describe key artifacts and confounds that can lead to incorrect conclusions...
February 23, 2017: Nature Neuroscience
https://www.readbyqxmd.com/read/28230376/facet-dependent-thermal-instability-in-licoo2
#10
Soroosh Sharifi-Asl, Fernando A Soto, Anmin Nie, Yifei Yuan, Hasti Asayesh-Ardakani, Tara Foroozan, Vitaliy Yurkiv, Boao Song, Farzad Mashayek, Robert F Klie, Khalil Amine, Jun Lu, Perla B Balbuena, Reza Shahbazian-Yassar
Thermal runaways triggered by the oxygen release from oxide cathode materials pose a major safety concern for widespread application of lithium ion batteries. Utilizing in-situ aberration-corrected scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) at high temperatures, we show that oxygen release from LixCoO2 cathode crystals is occurring at the surface of particles. We correlated this local oxygen evolution from the LixCoO2 structure with local phase transitions spanning from layered to spinel and then to rock salt structure upon exposure to elevated temperatures...
February 23, 2017: Nano Letters
https://www.readbyqxmd.com/read/28230310/hydroxy-directed-ruthenium-catalyzed-alkene-alkyne-coupling-increased-scope-stereochemical-implications-and-mechanistic-rationale
#11
Stephan M Rummelt, Gui-Juan Cheng, Puneet Gupta, Walter Thiel, Alois Fürstner
The recognition of the dual binding mode of propargyl and allyl alcohols to [Cp*Ru] fragments fostered the development of a highly regioselective intermolecular Alder-ene-type reaction of alkynes with 1,2-disubstituted alkenes. The increased substrate scope opens new perspectives in stereochemical terms. As the loaded catalyst is chiral-at-metal, stereochemical information is efficiently relayed from the propargylic site to the emerging C-C bond. This interpretation is based on the X-ray structure of the first Cp*Ru complex carrying an intact enyne ligand, and provides valuable insights into bonding and activation of the substrates...
February 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28228754/proofreading-of-peptide-mhc-complexes-through-dynamic-multivalent-interactions
#12
REVIEW
Christoph Thomas, Robert Tampé
The adaptive immune system is able to detect and destroy cells that are malignantly transformed or infected by intracellular pathogens. Specific immune responses against these cells are elicited by antigenic peptides that are presented on major histocompatibility complex class I (MHC I) molecules and recognized by cytotoxic T lymphocytes at the cell surface. Since these MHC I-presented peptides are generated in the cytosol by proteasomal protein degradation, they can be metaphorically described as a window providing immune cells with insights into the state of the cellular proteome...
2017: Frontiers in Immunology
https://www.readbyqxmd.com/read/28228595/hepatitis-c-virus-specific-t-cell-receptor-mrna-engineered-human-t-cells-impact-of-antigen-specificity-on-functional-properties
#13
Anangi Balasiddaiah, Haleh Davanian, Soo Aleman, Anna Pasetto, Lars Frelin, Matti Sällberg, Volker Lohmann, Sarene Koh, Antonio Bertoletti, Margaret Chen
Therapy with genetically modified autologous T cells has shown great promise in cancer therapy. For an efficient control of hepatitis C virus (HCV) infection, cytotoxic T cells (CTL) are pivotal but persistence of activated T cells may lead to liver toxicity. Here, anti-HCV T cell receptors (TCRs) recognising the HCV non-structural (NS) NS3 or NS5 viral peptide target were examined by mRNA transfection of human peripheral blood lymphocytes (PBL) derived from healthy donors as well as chronically infected HCV patients...
February 22, 2017: Journal of Virology
https://www.readbyqxmd.com/read/28228527/activation-mechanism-of-the-g-protein-coupled-sweet-receptor-heterodimer-with-sweeteners-and-allosteric-agonists
#14
Soo-Kyung Kim, Yalu Chen, Ravinder Abrol, William A Goddard, Brian Guthrie
The sweet taste in humans is mediated by the TAS1R2/TAS1R3 G protein-coupled receptor (GPCR), which belongs to the class C family that also includes the metabotropic glutamate and γ-aminobutyric acid receptors. We report here the predicted 3D structure of the full-length TAS1R2/TAS1R3 heterodimer, including the Venus Flytrap Domains (VFDs) [in the closed-open (co) active conformation], the cysteine-rich domains (CRDs), and the transmembrane domains (TMDs) at the TM56/TM56 interface. We observe that binding of agonists to VFD2 of TAS1R2 leads to major conformational changes to form a TM6/TM6 interface between TMDs of TAS1R2 and TAS1R3, which is consistent with the activation process observed biophysically on the metabotropic glutamate receptor 2 homodimer...
February 22, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28228524/structural-insights-into-the-activation-mechanism-of-dynamin-like-ehd-atpases
#15
Arthur Alves Melo, Balachandra G Hegde, Claudio Shah, Elin Larsson, J Mario Isas, Séverine Kunz, Richard Lundmark, Ralf Langen, Oliver Daumke
Eps15 (epidermal growth factor receptor pathway substrate 15)-homology domain containing proteins (EHDs) comprise a family of dynamin-related mechano-chemical ATPases involved in cellular membrane trafficking. Previous studies have revealed the structure of the EHD2 dimer, but the molecular mechanisms of membrane recruitment and assembly have remained obscure. Here, we determined the crystal structure of an amino-terminally truncated EHD4 dimer. Compared with the EHD2 structure, the helical domains are 50° rotated relative to the GTPase domain...
February 22, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28228481/a-helical-bundle-in-the-n-terminal-domain-of-the-blm-helicase-mediates-dimer-and-potentially-hexamer-formation
#16
Jing Shi, Wei-Fei Chen, Bo Zhang, San-Hong Fan, Xia Ai, Na-Nv Liu, Stephane Rety, Xu-Guang Xi
Helicases play a critical role in processes such as replication or recombination by unwinding double-stranded DNA; mutations of these genes can therefore have devastating biological consequences. In human, mutations in genes of three members of the RecQ family helicases (blm, wrn and recq4) give rise to three strikingly distinctive clinical phenotypes: Bloom syndrome, Werner syndrome and Rothmund-Thomson syndrome, respectively. However, the molecular basis for these varying phenotypic outcomes is unclear, in part because a full mechanistic description of helicase activity is lacking...
February 22, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28228472/unconventional-recombination-in-the-mating-type-locus-of-heterothallic-apple-canker-pathogen-valsa-mali
#17
Zhiyuan Yin, Xiwang Ke, Zhengpeng Li, Jiliang Chen, Xiaoning Gao, Lili Huang
Sexual reproduction in filamentous ascomycetes is controlled by mating type (MAT) locus, including two idiomorphs MAT1-1 and MAT1-2 Understanding the MAT locus can provide clues for unveiling the sexual development and virulence factors for fungal pathogens. The genus Valsa (Sordariomycetes, Diaporthales) contains many tree pathogens responsible for destructive canker diseases. Sexual stage of these ascomycetes is occasionally observed in nature and no MAT locus has been reported up till now. Thus, we identified the MAT locus of apple canker pathogen V...
February 21, 2017: G3: Genes—Genomes—Genetics
https://www.readbyqxmd.com/read/28228229/oxidative-transformation-of-a-tunichrome-model-compound-provides-new-insight-into-the-crosslinking-and-defense-reaction-of-tunichromes
#18
Adal Abebe, Qun F Kuang, Jason Evans, William E Robinson, Manickam Sugumaran
Tunichromes, small oligopeptides with dehydrodopa units isolated from the blood cells of ascidians, have been implicated in the defense reactions, metal binding, wound repair, or tunic formation. Their instability and high reactivity has severely hampered the assessment of their biological role. Experiments conducted with the model compound, 1,2-dehydro-N-acetyldopamine, indicated that the instability of tunichromes is due to this basic structure. Exposure of this catecholamine derivative to even mild alkaline condition such as pH 7...
February 16, 2017: Bioorganic Chemistry
https://www.readbyqxmd.com/read/28228131/whole-genome-sequencing-of-one-complex-pedigree-illustrates-challenges-with-genomic-medicine
#19
Han Fang, Yiyang Wu, Hui Yang, Margaret Yoon, Laura T Jiménez-Barrón, David Mittelman, Reid Robison, Kai Wang, Gholson J Lyon
BACKGROUND: Human Phenotype Ontology (HPO) has risen as a useful tool for precision medicine by providing a standardized vocabulary of phenotypic abnormalities to describe presentations of human pathologies; however, there have been relatively few reports combining whole genome sequencing (WGS) and HPO, especially in the context of structural variants. METHODS: We illustrate an integrative analysis of WGS and HPO using an extended pedigree, which involves Prader-Willi Syndrome (PWS), hereditary hemochromatosis (HH), and dysautonomia-like symptoms...
February 23, 2017: BMC Medical Genomics
https://www.readbyqxmd.com/read/28228076/transdermal-drug-delivery-opportunities-and-challenges-for-controlled-delivery-of-therapeutic-agents-using-nanocarriers
#20
Balak Das Kurmi, Pawan Tekchandani, Rishi Paliwal, Shivani Rai Paliwal
BACKGROUND: Transdermal drug delivery represents an extremely attractive and innovative route across the skin owing to the possibility for achieving systemic effect of drugs. Present scenario demands a special focus on developing safe medicine with minimize toxic adverse effects related to most of the pharmacologically active agents. Transdermal drug delivery would be a focal paradigm which provides patient convenience, first-pass hepatic metabolism avoidance, local targeting and reduction in toxic effect related to various categories of drugs like, analgesics, anti-inflammatory, antibiotics, antiviral, anaesthetic, anticancer etc...
February 22, 2017: Current Drug Metabolism
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