Relevant bibliographies by topics / Thiol binding

Academic literature on the topic 'Thiol binding'

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Published: 4 June 2021
Last updated: 20 February 2023

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Journal articles on the topic "Thiol binding"

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Lee, Duk-Shin, and Ji-Eun Kim. "PDI-Mediated Reduction of Disulfide Bond on PSD95 Increases Spontaneous Seizure Activity by Regulating NR2A–PSD95 Interaction in Epileptic Rats Independent of S-Nitrosylation." International Journal of Molecular Sciences 21, no. 6 (March 18, 2020): 2094. http://dx.doi.org/10.3390/ijms21062094.

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Postsynaptic density-95 (PSD95), a major scaffolding protein, is critical in coupling N-methyl-D-aspartate receptor (NMDAR) to cellular signaling networks in the central nervous system. A couple of cysteine residues in the N-terminus of PSD95 are potential sites for disulfide bonding, S-nitrosylation and/or palmitoylation. Protein disulfide isomerase (PDI) reduces disulfide bonds (S-S) to free thiol (-SH) on various proteins. However, the involvement of PDI in disulfide bond formation/S-nitrosylation of PSD95 and its role in epilepsy are still unknown. In the present study, acute seizure activity significantly increased the bindings of PDI to NR2A, but not to PSD95, while it decreased the NR2A–PSD95 binding. In addition, pilocarpine-induced seizures increased the amount of nitrosylated (SNO-) thiols, not total (free and SNO-) thiols, on PSD95. Unlike acute seizure, spontaneous seizing rats showed the increases in PDI–PSD95 binding, total- and SNO-thiol levels on PSD95, and NR2A–PSD95 interaction. PDI siRNA effectively reduced spontaneous seizure activity with decreases in total thiol level on PSD95 and NR2A–PSD95 association. These findings indicate that PDI-mediated reduction of disulfide-bond formations may facilitate the NR2A–PSD95 binding and contribute to spontaneous seizure generation in epileptic animals.
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QUINLAN, Gregory J., Michael P. MARGARSON, Sharon MUMBY, Timothy W. EVANS, and John M. C. GUTTERIDGE. "Administration of albumin to patients with sepsis syndrome: a possible beneficial role in plasma thiol repletion." Clinical Science 95, no. 4 (October 1, 1998): 459–65. http://dx.doi.org/10.1042/cs0950459.

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1.Albumin is often administered intravenously to critically ill patients as a volume expander, to combat hypoalbuminaemia, and to decrease hyperbilirubinaemia. There is, however, an ongoing debate concerning the therapeutic benefit of the former which is an expensive form of treatment. 2.Albumin has several biological functions, in particular as a ligand binder. It also acts as an extracellular transition metal ion-binding and radical-scavenging antioxidant. These functions are influenced by the presence of an exposed thiol group (cys 34) on the surface of the albumin molecule. 3.The ability of infused albumin to influence the plasma thiol pool, and hence antioxidant potential, was investigated in patients with sepsis syndrome. 4.Plasma thiol levels rose rapidly after albumin infusion and remained elevated even after plasma albumin levels had declined significantly, due to interstitial leakage. Data are suggestive of some form of thiol exchange in the plasma of these patients between albumin and molecules containing oxidized thiol groups. 5.Administration of albumin to patients with sepsis syndrome leads to a sustained increase in plasma thiols. Thiols have several important antioxidant functions, and thiol repletion in these patients, who are known to suffer from oxidative stress, may have beneficial antioxidant effects. Antioxidant repletion may represent an important facet of clinically administered albumin.
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Choi, Hiuwan, Khatira Aboulfatova, Henry J. Pownall, Richard Cook, and Jing-fei Dong. "Shear-induced Disulfide Bond Formation Regulates Adhesion Activity of von Willebrand Factor." Journal of Biological Chemistry 282, no. 49 (October 9, 2007): 35604–11. http://dx.doi.org/10.1074/jbc.m704047200.

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von Willebrand factor (VWF) is the largest multimeric adhesion ligand circulating in blood. Its adhesion activity is related to multimer size, with the ultra-large forms freshly released from the activated endothelial cells being most active, capable of spontaneously binding to platelets. In comparison, smaller plasma forms circulating in blood bind platelets only under high fluid shear stress or induced by modulators. The structure-function relationships that distinguish the two types of VWF multimers are not known. In this study, we demonstrate that some of the plasma VWF multimers contain surface-exposed free thiols. Physiological and pathological levels of shear stresses (50 and 100 dynes/cm2) promote the formation of disulfide bonds utilizing these free thiols. The shear-induced thiol-disulfide exchange increases VWF binding to platelets. The thiol-disulfide exchange involves some or all of nine cysteine residues (Cys889, Cys898, Cys2448, Cys2451, Cys2490, Cys2491, Cys2453, Cys2528, and Cys2533) in the D3 and C domains as determined by mass spectrometry of the tryptic VWF peptides. These results suggest that the thiol-disulfide state may serve as an important structural determinant of VWF adhesion activity and can be modified by fluid shear stress.
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Lahav, Judith, Kerstin Jurk, Oded Hess, Michael J. Barnes, Richard W. Farndale, Jacob Luboshitz, and Beate E. Kehrel. "Sustained integrin ligation involves extracellular free sulfhydryls and enzymatically catalyzed disulfide exchange." Blood 100, no. 7 (October 1, 2002): 2472–78. http://dx.doi.org/10.1182/blood-2001-12-0339.

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Studies have suggested a pivotal role for free sulfhydryls in platelet integrin function, and enzyme-mediated reduction of disulfide bonds on platelets has been implicated. The platelet fibrinogen receptor αIIbβ3 is the best-studied platelet integrin and serves as a model system for studying the structure-function relation in this family of adhesion receptors. The demonstration of free sulfhydryls on the exofacial domain of purified αIIbβ3, specifically in its activated conformation, prompted us to explore the potential for activation-dependent, enzymatically catalyzed thiol expression on intact platelets and the possible role of surface-associated protein disulfide isomerase (PDI) in αIIbβ3 ligation. Using the membrane-impermeant sulfhydryl blocker para-chloromercuriphenyl sulfonate, the inhibitor of disulfide exchange bacitracin, and the monoclonal anti-PDI antibody RL90, we examined fibrinogen binding to αIIbβ3 as well as ligation-induced allosteric changes in the conformation of αIIbβ3. We sought to distinguish the possible involvement of disulfide exchange in agonist-induced platelet stimulation from its role in integrin ligation. Analysis of the role of free thiols in platelet aggregation suggested a thiol-independent initial ligation followed by a thiol-dependent stabilization of binding. Flow cytometric analysis showed that sustained binding of fibrinogen, as well as expression of ligand-induced binding site epitopes and ligand-bound conformation, depended on free thiols and disulfide exchange. Expression of P-selectin was minimally affected, even with complete inhibition of αIIbβ3function. These data indicate that although agonist-induced platelet stimulation is independent of ecto-sulfhydryls, engagement of integrin αIIbβ3 on the intact platelet depends totally on their enzymatically catalyzed surface expression.
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Ramasamy, Somasundaram, Tapan K. Kundu, William Antholine, Periakaruppan T. Manoharan, and Joseph M. Rifkind. "Internal spin trapping of thiyl radical during the complexation and reduction of cobalamin with glutathione and dithiothrietol." Journal of Porphyrins and Phthalocyanines 16, no. 01 (January 2012): 25–38. http://dx.doi.org/10.1142/s1088424611004051.

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The activation of cobalamin requires a reduction from cobalamin(III) to cobalamin(II). The reduction by glutathione and dithiothreitol was followed using visible spectroscopy and electron paramagnetic resonance. In addition the oxidation of glutathione was monitored. Glutathione first reacts with oxidized cobalamin(III). The binding of a second glutathione required for the reduction to cobalamin(II) is presumably located in the dimethyl benzimidazole ribonucleotide ligand cavity. The reduction of cobalamin(III) by dithiothreitol, which contains two thiols, is much faster even though no stable cobalamin(III) complex is formed. The reduction, by both thiol reagents, results in the formation of thiyl radicals, some of which are released to form oxidized thiol products and some of which remain associated with the reduced cobalamin. In the reduced state the intrinsic lower affinity for the benzimidazole base, coupled with a trans effect from the initial glutathione bound to the β-axial site and a possible lowering of the pH results in an equilibrium between base-on and base-off complexes. The dissociation of the base facilitates a closer approach of the thiyl radical to the cobalamin(II) α-axial site resulting in a complex with ferromagnetic exchange coupling between the metal ion and the thiyl radical. This is a unique example of "internal spin trapping" of a thiyl radical formed during reduction. The finding that the reduction involves a peripheral site and that thiyl radicals produced during the reduction remain associated with the reduced cobalamin provide important new insights into our understanding of the formation and function of cobalamin enzymes.
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Jones, Dean P. "Radical-free biology of oxidative stress." American Journal of Physiology-Cell Physiology 295, no. 4 (October 2008): C849—C868. http://dx.doi.org/10.1152/ajpcell.00283.2008.

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Free radical-induced macromolecular damage has been studied extensively as a mechanism of oxidative stress, but large-scale intervention trials with free radical scavenging antioxidant supplements show little benefit in humans. The present review summarizes data supporting a complementary hypothesis for oxidative stress in disease that can occur without free radicals. This hypothesis, which is termed the “redox hypothesis,” is that oxidative stress occurs as a consequence of disruption of thiol redox circuits, which normally function in cell signaling and physiological regulation. The redox states of thiol systems are sensitive to two-electron oxidants and controlled by the thioredoxins (Trx), glutathione (GSH), and cysteine (Cys). Trx and GSH systems are maintained under stable, but nonequilibrium conditions, due to a continuous oxidation of cell thiols at a rate of about 0.5% of the total thiol pool per minute. Redox-sensitive thiols are critical for signal transduction (e.g., H-Ras, PTP-1B), transcription factor binding to DNA (e.g., Nrf-2, nuclear factor-κB), receptor activation (e.g., αIIbβ3 integrin in platelet activation), and other processes. Nonradical oxidants, including peroxides, aldehydes, quinones, and epoxides, are generated enzymatically from both endogenous and exogenous precursors and do not require free radicals as intermediates to oxidize or modify these thiols. Because of the nonequilibrium conditions in the thiol pathways, aberrant generation of nonradical oxidants at rates comparable to normal oxidation may be sufficient to disrupt function. Considerable opportunity exists to elucidate specific thiol control pathways and develop interventional strategies to restore normal redox control and protect against oxidative stress in aging and age-related disease.
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Arican, Sule, Gulcin Hacibeyoglu, Sinan Oguzhan Ulukaya, Gamze Avcioglu, Ruhiye Reisli, Sema Tuncer Uzun, and Ozcan Erel. "Ischemia-modified albumin (IMA) and dynamic thiol-disulfide homeostasis in patients with postherpetic neuralgia." Journal of Laboratory Medicine 43, no. 5 (October 25, 2019): 257–63. http://dx.doi.org/10.1515/labmed-2018-0211.

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Abstract Background Ischemia-modified albumin (IMA) is an isotype of albumin that increases under oxidative stress, and plasma thiols are main defense mechanisms against oxidative stress. The objective of this study was to investigate thiol-disulfide homeostasis and serum IMA levels in postherpetic neuralgia (PHN) patients. Methods A total of 29 PHN patients and 30 healthy controls were included in the study. Serum total and native thiol concentrations and serum disulfide concentration were measured using the method described by Erel and Neselioglu. The albumin cobalt binding test was used to measure serum IMA levels. Results Serum IMA levels were 1.21 ± 0.58 AU and 0.75 ± 0.09 AU in the PHN and control groups, respectively (p < 0.001). Serum total thiol concentrations were found to be 421.62 ± 90.28 μmol/L and 598.36 ± 73.63 μmol/L in the PHN and control groups, respectively (p < 0.001). Serum native thiol concentrations were found to be 365.75 ± 92.07 μmol/L and 531.90 ± 72.9 μmol/L in the PHN and control groups, respectively (p < 0.001). Serum disulfide concentrations were found to be 33.23 ± 5.33 μmol/L and 27.93 ± 7.81 μmol/L in the PHN and control groups, respectively (p = 0.003). The native thiol/total thiol ratio was significantly lower, and the disulfide/total thiol and disulfide/native thiol ratios were significantly higher in the PHN group compared to the controls. Conclusions IMA levels are high and dynamic thiol/disulfide homeostasis is disrupted in PHN patients.
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Tong, Ka-Chung, Chun-Nam Lok, Pui-Ki Wan, Di Hu, Yi Man Eva Fung, Xiao-Yong Chang, Song Huang, Haibo Jiang, and Chi-Ming Che. "An anticancer gold(III)-activated porphyrin scaffold that covalently modifies protein cysteine thiols." Proceedings of the National Academy of Sciences 117, no. 3 (January 2, 2020): 1321–29. http://dx.doi.org/10.1073/pnas.1915202117.

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Cysteine thiols of many cancer-associated proteins are attractive targets of anticancer agents. Herein, we unequivocally demonstrate a distinct thiol-targeting property of gold(III) mesoporphyrin IX dimethyl ester (AuMesoIX) and its anticancer activities. While the binding of cysteine thiols with metal complexes usually occurs via M–S bond formation, AuMesoIX is unique in that the meso-carbon atom of the porphyrin ring is activated by the gold(III) ion to undergo nucleophilic aromatic substitution with thiols. AuMesoIX was shown to modify reactive cysteine residues and inhibit the activities of anticancer protein targets including thioredoxin, peroxiredoxin, and deubiquitinases. Treatment of cancer cells with AuMesoIX resulted in the formation of gold-bound sulfur-rich protein aggregates, oxidative stress-mediated cytotoxicity, and accumulation of ubiquitinated proteins. Importantly, AuMesoIX exhibited effective antitumor activity in mice. Our study has uncovered a gold(III)-induced ligand scaffold reactivity for thiol targeting that can be exploited for anticancer applications.
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Sokoloff, A. V., T. Whalley, and J. Zimmerberg. "Characterization of N-ethylmaleimide-sensitive thiol groups required for the GTP-dependent fusion of endoplasmic reticulum membranes." Biochemical Journal 312, no. 1 (November 15, 1995): 23–30. http://dx.doi.org/10.1042/bj3120023.

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The GTP-dependent fusion activity of endoplasmic reticulum membranes is thought to be required for the structural maintenance and post-mitotic regeneration of the endoplasmic reticulum. This fusion is sensitive to the thiol-alkylating agent N-ethylmaleimide. In many intracellular fusion events N-ethylmaleimide-sensitivity is associated with a homotrimeric ATPase called N-ethylmaleimide-sensitive fusion protein or NSF. The addition of cytosol containing NSF is known to restore fusion activity to N-ethylmaleimide-treated membranes. We found that the inhibition of fusion of rat liver endoplasmic reticulum membranes (microsomes) by N-ethylmaleimide was not reversed by the addition of untreated cytosol. Fusion was also unaffected by treatment with a buffer known to remove NSF from membranes. Accordingly, no membrane-associated NSF was detected by immunoblot analysis. These data suggest that microsome fusion requires an N-ethylmaleimide-sensitive component distinct from NSF. This component was tightly associated with the membranes, so we used a number of chemical probes to characterize it in situ. Its thiol groups did not appear to be part of a GTP-binding site. They showed relatively low reactivity with sodium periodate, which induces the formation of disulphide bonds between proximate thiol groups. The thiols were not protected against N-ethylmaleimide by Zn2+, a potent inhibitor of fusion which is known to efficiently co-ordinate thiol groups. To characterize the topology of the fusion-related thiol groups we used bulky thiol-specific reagents prepared by conjugating BSA or 10 kDa aminodextran to the bifunctional reagent N-succinimidyl 3-(2-pyridyldithio)propionate. The inhibition of fusion by these reagents indicated that these thiols are highly exposed on the membranes. This exposure might be important for the function of these groups during GTP-triggered fusion.
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White, Kylie, Gina Nicoletti, and Hugh Cornell. "Antibacterial Profile of a Microbicidal Agent Targeting Tyrosine Phosphatases and Redox Thiols, Novel Drug Targets." Antibiotics 10, no. 11 (October 27, 2021): 1310. http://dx.doi.org/10.3390/antibiotics10111310.

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The activity profile of a protein tyrosine phosphatase (PTP) inhibitor and redox thiol oxidant, nitropropenyl benzodioxole (NPBD), was investigated across a broad range of bacterial species. In vitro assays assessed inhibitory and lethal activity patterns, the induction of drug variants on long term exposure, the inhibitory interactions of NPBD with antibiotics, and the effect of plasma proteins and redox thiols on activity. A literature review indicates the complexity of PTP and redox signaling and suggests likely metabolic targets. NPBD was broadly bactericidal to pathogens of the skin, respiratory, urogenital and intestinal tracts. It was effective against antibiotic resistant strains and slowly replicating and dormant cells. NPBD did not induce resistant or drug-tolerant phenotypes and showed low cross reactivity with antibiotics in synergy assays. Binding to plasma proteins indicated lowered in-vitro bioavailability and reduction of bactericidal activity in the presence of thiols confirmed the contribution of thiol oxidation and oxidative stress to lethality. This report presents a broad evaluation of the antibacterial effect of PTP inhibition and redox thiol oxidation, illustrates the functional diversity of bacterial PTPs and redox thiols, and supports their consideration as novel targets for antimicrobial drug development. NPBD is a dual mechanism agent with an activity profile which supports consideration of tyrosine phosphatases and bacterial antioxidant systems as promising targets for drug development.
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Dissertations / Theses on the topic "Thiol binding"

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Tong, Grace C. "Characterization of Cys-34 in serum albumin." Columbus, Ohio : Ohio State University, 2003. http://rave.ohiolink.edu/etdc/view?acc%5fnum=osu1061473878.

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Thesis (Ph. D.)--Ohio State University, 2003.
Title from first page of PDF file. Document formatted into pages; contains xxiii, 325 p.; also contains graphics (some col.). Includes abstract and vita. Advisor: Gary E. Means, Dept. of Biochemistry. Includes bibliographical references (p. 206-225).
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Rossato, Mateus Fortes. "Eriodictiol: um flavonóide antagonista do receptor trpv1 com atividade antioxidante." Universidade Federal de Santa Maria, 2010. http://repositorio.ufsm.br/handle/1/11134.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico
The transient receptor potential vanilloid 1 (TRPV1) is a calcium permeable channel responsible for the transduction and modulation of acute and chronic pain signaling, being a potential target for treatment of different pain disorders. In spite of that, AMG517, a TRPV1 antagonist, presents several clinical limitations, such as the development of severe hypertermia. The aim of this study was to investigate the possible interaction of the flavonoid eriodictyol with the TRPV1 receptor and its putative antinociceptive and hyperthermic effect. Eriodictyol was able to displace the [3H]-resiniferatoxin binding (IC50 = 47 (21 - 119) nM) and to inhibit the calcium influx mediated by capsaicin (IC50 = 44 (16 125) nM), suggesting that eriodictyol acts as a TRPV1 antagonist. Moreover, eriodictyol induces antinociception in the intraplantar capsaicin test, with maximal effect of 49±10 and 64±4% of inhibition for oral (ED50 = 2 (1-5) mg/kg) and intrathecal (ED50 = 2 (1-3) nmol/site) routes, respectively. Concomitantly, eriodictyol did not induce any alteration on body temperature or locomotor activity. Orally administered eriodictyol (4.5 mg/kg) prevented the nociception induced by intrathecal injection of capsaicin (72±6% of inhibition), the non-protein thiol loss and the 3-nitrotyronise (3-NT) formation induced by capsaicin in spinal cord. Eriodictyol (4.5 mg/kg, p.o.) also reduced the thermal hyperalgesia (100% of inhibition) and mechanical allodynia (62±9% of inhibition) elicited by complete Freund s adjuvant (CFA) paw injection. In conclusion, Eriodictyol acts as an antagonist of TRPV1 receptor and an antioxidant, inducing antinociception without some side effects and limitations expected for TRPV1 antagonists, as hyperthermia.
O receptor de potencial transiente vanilóide 1 (TRPV1) é um canal iônico permeável a cátions ativado por uma série de estímulos nocivos, como calor, acidificação e agentes irritantes como a capsaicina. Este receptor é responsável pela detecção e transmissão da dor aguda e crônica. Devido a isso, substâncias que modulem a atividade deste receptor apresentam um potencial clínico para o tratamento da dor. Assim, este trabalho objetiva a possível interação do flavonóide eriodictiol com o receptor TRPV1. Inicialmente, observamos que o eriodictiol foi capaz de deslocar o radioligante [3H]-resiniferatoxina, em ensaio de união específica, do receptor TRPV1 com uma concentração inibitória 50% (IC50) de 46.9 (20.70 - 118.9) nM. Ao mesmo tempo, o eriodictiol também inibiu o influxo de cálcio estimulado por capsaicina com IC50 de 44,4 (15,6 125,1) nM, sugerindo que este aja como um antagonista do receptor. Além disso, também observamos que o eriodictiol induz antinocicepção no teste da capsaicina intraplantar com efeito máximo de 49,0±10.5 e 63,9±4.0 % de inibição máxima para o tratamento oral e intratecal, respectivamente, e com uma dose efetiva 50% (DE50) de 2,4 (1,0 5,5) mg/kg 2,2 (1,6 2,9) nmol/site, respectivamente. Além disso, não observamos alterações na atividade locomotora ou temperatura corporal dos animais. A administração oral de eriodictiol também foi capaz de prevenir a nocicepção induzida por capsaicina intratecal (71,7±5,7 % de inibição). Ao mesmo tempo, o eriodictiol também aboliu a hiperalgesia térmica e reduziu a alodínia mecânica (62,4±9,2 %) induzidas por adjuvante completo de Freund. Da mesma forma, o eriodictiol também preveniu totalmente a diminuição de tiois não protéicos e formação de 3-nitrotirosina (3-NT) espinhais induzidas por capsaicina, ao passo que apresentou atividade antioxidante direta no texto de neutralização do radical ABTS. Em conclusão, nossos resultados mostram que o eriodictiol age como um antagonista do receptor TRPV1, com atividade antioxidante, induzindo antinocicepção sem os efeitos colaterais e limitações esperados para antagonistas do receptor TRPV1.
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Cafe, Peter F. "Towards reliable contacts of molecular electronic devices to gold electrodes." Thesis, The University of Sydney, 2008. http://hdl.handle.net/2123/3870.

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SYNOPSIS OF THIS THESIS The aim of this thesis is to more fully understand and explain the binding mechanism of organic molecules to the Au(111) surface and to explore the conduction of such molecules. It consists of five discreet chapters connected to each other by the central theme of “The Single Molecule Device: Conductance and Binding”. There is a deliberate concentration on azine linkers, in particular those with a 1,10-phenanthroline-type bidentate configuration at each end. This linker unit is called a “molecular alligator clip” and is investigated as an alternative to the thiol linker unit more commonly used. Chapter 1 places the work in the broad context of Molecular Electronics and establishes the need for this research. In Chapter 2 the multiple break-junction technique (using a Scanning Tunnelling Microscope or similar device) was used to investigate the conductance of various molecules with azine linkers. A major finding of those experiments is that solvent interactions are a key factor in the conductance signal of particular molecules. Some solvents interfere with the molecule’s interaction with and attachment to the gold electrodes. One indicator of the degree of this interference is the extent of the enhancement or otherwise of the gold quantized conduction peak at 1.0 G0. Below 1.0 G0 a broad range for which the molecule enhances conduction indicates that solvent interactions contribute to a variety of structures which could bridge the electrodes, each with their own specific conductance value. The use of histograms with a Log10 scale for conductance proved useful for observing broad range features. vi Another factor which affects the conductance signal is the geometric alignment of the molecule (or the molecule-solvent structure) to the gold electrode, and the molecular alignment is explored in Chapters 3 for 1,10-phenanthroline (PHEN) and Chapter 4 for thiols. In Chapter 3 STM images, electrochemistry, and Density Functional Theory (DFT) are used to determine 1,10-phenanthroline (PHEN) structures on the Au(111) surface. It is established that PHEN binds in two modes, a physisorbed state and a chemisorbed state. The chemisorbed state is more stable and involves the extraction of gold from the bulk to form adatom-PHEN entities which are highly mobile on the gold surface. Surface pitting is viewed as evidential of the formation of the adatom-molecule entities. DFT calculations in this chapter were performed by Ante Bilic and Jeffery Reimers. The conclusions to Chapter 3 implicate the adatom as a binding mode of thiols to gold and this is explored in Chapter 4 by a timely review of nascent research in the field. The adatom motif is identified as the major binding structure for thiol terminated molecules to gold, using the explanation of surface pitting in Chapter 3 as major evidence and substantiated by emergent literature, both experimental and theoretical. Furthermore, the effect of this binding mode on conductance is explored and structures relevant to the break-junction experiment of Chapter 2 are identified and their conductance values compared. Finally, as a result of researching extensive reports of molecular conductance values, and having attempted the same, a simple method for predicting the conductance of single molecules is presented based upon the tunneling conductance formula.
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Cafe, Peter F. "Towards reliable contacts of molecular electronic devices to gold electrodes." University of Sydney, 2008. http://hdl.handle.net/2123/3870.

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PhD
SYNOPSIS OF THIS THESIS The aim of this thesis is to more fully understand and explain the binding mechanism of organic molecules to the Au(111) surface and to explore the conduction of such molecules. It consists of five discreet chapters connected to each other by the central theme of “The Single Molecule Device: Conductance and Binding”. There is a deliberate concentration on azine linkers, in particular those with a 1,10-phenanthroline-type bidentate configuration at each end. This linker unit is called a “molecular alligator clip” and is investigated as an alternative to the thiol linker unit more commonly used. Chapter 1 places the work in the broad context of Molecular Electronics and establishes the need for this research. In Chapter 2 the multiple break-junction technique (using a Scanning Tunnelling Microscope or similar device) was used to investigate the conductance of various molecules with azine linkers. A major finding of those experiments is that solvent interactions are a key factor in the conductance signal of particular molecules. Some solvents interfere with the molecule’s interaction with and attachment to the gold electrodes. One indicator of the degree of this interference is the extent of the enhancement or otherwise of the gold quantized conduction peak at 1.0 G0. Below 1.0 G0 a broad range for which the molecule enhances conduction indicates that solvent interactions contribute to a variety of structures which could bridge the electrodes, each with their own specific conductance value. The use of histograms with a Log10 scale for conductance proved useful for observing broad range features. vi Another factor which affects the conductance signal is the geometric alignment of the molecule (or the molecule-solvent structure) to the gold electrode, and the molecular alignment is explored in Chapters 3 for 1,10-phenanthroline (PHEN) and Chapter 4 for thiols. In Chapter 3 STM images, electrochemistry, and Density Functional Theory (DFT) are used to determine 1,10-phenanthroline (PHEN) structures on the Au(111) surface. It is established that PHEN binds in two modes, a physisorbed state and a chemisorbed state. The chemisorbed state is more stable and involves the extraction of gold from the bulk to form adatom-PHEN entities which are highly mobile on the gold surface. Surface pitting is viewed as evidential of the formation of the adatom-molecule entities. DFT calculations in this chapter were performed by Ante Bilic and Jeffery Reimers. The conclusions to Chapter 3 implicate the adatom as a binding mode of thiols to gold and this is explored in Chapter 4 by a timely review of nascent research in the field. The adatom motif is identified as the major binding structure for thiol terminated molecules to gold, using the explanation of surface pitting in Chapter 3 as major evidence and substantiated by emergent literature, both experimental and theoretical. Furthermore, the effect of this binding mode on conductance is explored and structures relevant to the break-junction experiment of Chapter 2 are identified and their conductance values compared. Finally, as a result of researching extensive reports of molecular conductance values, and having attempted the same, a simple method for predicting the conductance of single molecules is presented based upon the tunneling conductance formula.
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Bernhard, Max [Verfasser], Gerhard [Akademischer Betreuer] Thiel, and Bodo [Akademischer Betreuer] Laube. "Binding Proteins and Receptor Binding Domains as Sensor Elements for Biological and Artificial Nanopores / Max Bernhard ; Gerhard Thiel, Bodo Laube." Darmstadt : Universitäts- und Landesbibliothek, 2021. http://d-nb.info/1236344782/34.

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Ströh, Luisa Johanna [Verfasser], and Thilo [Akademischer Betreuer] Stehle. "Structural Analysis and Glycan Receptor Binding Specificities of Human Polyomaviruses / Luisa Johanna Ströh ; Betreuer: Thilo Stehle." Tübingen : Universitätsbibliothek Tübingen, 2017. http://d-nb.info/119946306X/34.

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Schönrock, Michael [Verfasser], Bodo [Akademischer Betreuer] Laube, and Gerhard [Akademischer Betreuer] Thiel. "Modular design of ionotropic glutamate receptors: Coupling of a viral K+-channel with a glutamate-binding domain / Michael Schönrock ; Bodo Laube, Gerhard Thiel." Darmstadt : Universitäts- und Landesbibliothek Darmstadt, 2019. http://d-nb.info/1182537499/34.

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Yang, Chao. "Syntheses and Bioactivities of Targeted and Conformationally Restrained Paclitaxel and Discodermolide Analogs." Diss., Virginia Tech, 2008. http://hdl.handle.net/10919/28942.

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Paclitaxel was isolated from the bark of Taxus brevifolia in the late 1960s. It exerts its biological effect by promoting tubulin polymerization and stabilizing the resulting microtubules. Paclitaxel has become one of the most important current drugs for the treatment of breast and ovarian cancers. Studies aimed at understanding the biologically active conformation of paclitaxel bound on β–tubulin are described. In this work, the synthesis of isotopically labeled taxol analogs is described and the REDOR studies of this compound complexed to tubulin agrees with the hypothesis that palictaxel adopts T-taxol conformation. Based on T-taxol conformation, macrocyclic analogs of taxol have been prepared and their biological activities were evaluated. The results show a direct evidence to support T-taxol conformation. (+) Discodermolide is a polyketide isolated from the Caribbean deep sea sponge Discodermia dissoluta in 1990. Similar to paclitaxel, discodermolide interacts with tubulin and stabilizes the microtubule in vivo. Studies aimed at understanding the biologically active conformation of discodermolide bound on β–tubulin are described. In this work, the synthesis of fluorescent labeled discodermolide analogs is described and their biological activities were evaluated. Synthetic approaches to fluorescent labeled and isotopically labeled discodermolide analogs discodermolide are also described.
Ph. D.
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Hetzke, Thilo [Verfasser], Thomas [Akademischer Betreuer] Prisner, Thomas [Gutachter] Prisner, and Josef [Gutachter] Wachtveitl. "PELDOR and hyperfine spectroscopy as complementary tools to investigate a tetracycline-binding RNA aptamer / Thilo Hetzke ; Gutachter: Thomas Prisner, Josef Wachtveitl ; Betreuer: Thomas Prisner." Frankfurt am Main : Universitätsbibliothek Johann Christian Senckenberg, 2020. http://d-nb.info/1212930312/34.

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Liu, Changhui. "Syntheses and Bioactivities of Targeted and Conformationally Restrained Taxol Analogs." Diss., Virginia Tech, 2004. http://hdl.handle.net/10919/11186.

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Taxol (1) was first isolated from the bark of the Pacific yew about 35 years ago by Drs. Wall and Wani. Although its development as an anticancer agent was delayed by numerous reasons, including its scarcity and insolubility, the discovery of its tubulin-assembly activity and other factors motivated oncologists to overcome these problems. It has since become one of the most important current drugs for the treatment of several cancers, including breast and ovarian cancers. Like almost all anticancer drugs taxol does have some toxic side effects and many tumors also show significant resistance to therapy with taxol. Drug targeting studies aimed at improving its selectivity and efficacy is described. Two targeting methods, the estrogen receptor (ER) directed targeting and colloidal gold (cAu)directed targeting, were used in our research. In this dissertation, a series of estradiol-taxol conjugates (ETCs) were synthesized. They were active in four cytotoxicity assays and tubulin polymerization assay, but less active than taxol. One of them showed the desired selectivity for ER positive cancer cells. Recently, several studies have attempted to elucidate the bioactive binding conformation of taxol on microtubules. Three models have been proposed for this conformation. The T-taxol conformation was proposed by Dr. Snyder based on electron crystallographic density and molecular modeling. In this dessertation, a series of cyclopropyl-containing taxol analogs and macrocyclic taxol lactones were synthesized. The bioassay results showed they are less active than taxol. The molecular modeling studies suggested that the cyclopropyl-containing taxol analogs could not adopt the T-taxol conformation, which would result in the loss of bioactivities. It is an indirect evidence to support T-taxol conformation. As for macrocyclic taxol lactones, it is proposed that they would have a close contact between the ester moiety on the C-3' phenyl ring and Phe272 of the β-tubulin protein when they adopt T-taxol conformation. It will push the macrocyclics out of the binding pocket and lead to the lost of bioactivities.
Ph. D.
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Books on the topic "Thiol binding"

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Schultz, Caroline Luise. The role of sulphur and thiol-rich copper-binding protein in the copper tolerance of "Deschampsia cespitosa"(L.) Beauv. 1986.

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Book chapters on the topic "Thiol binding"

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Ganesan, A. "Romidepsin and the Zinc-Binding Thiol Family of Natural Product HDAC Inhibitors." In Successful Drug Discovery, 13–29. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2016. http://dx.doi.org/10.1002/9783527800315.ch2.

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Okada, Yoshio, Satoshi Tsuboi, Naoki Teno, Hiroshi Okamoto, Atsushi Yamamoto, and Toshimasa Ishida. "Development of reversible inhibitors against thiol proteinases and studies on the binding mode of the inhibitor with papain." In Peptide Chemistry 1992, 499–502. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1474-5_145.

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Inouhe, Mashiro, Huagang Huang, Sanjay Kumar Chaudhary, and Dharmendra Kumar Gupta. "Heavy Metal Bindings and Their Interactions with Thiol Peptides and Other Biological Ligands in Plant Cells." In Metal Toxicity in Plants: Perception, Signaling and Remediation, 1–21. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-22081-4_1.

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Odagaki, Yuji. "Guanosine-5′-O-(3-[35S]thio)triphosphate ([35S]GTPγS) Binding/Immunoprecipitation Assay Using Magnetic Beads Coated with Anti-Gα Antibody in Mammalian Brain Membranes." In Co-Immunoprecipitation Methods for Brain Tissue, 97–107. New York, NY: Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-8985-0_8.

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Bourdon, Allen K., Greg Villareal, George Perry, and Clyde F. Phelix. "Alzheimer's and Parkinson's Disease Novel Therapeutic Target." In Research Anthology on Diagnosing and Treating Neurocognitive Disorders, 411–26. IGI Global, 2021. http://dx.doi.org/10.4018/978-1-7998-3441-0.ch021.

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Thiazolidinedione (TZD) drugs (Takeda Pharmaceuticals and Metabolic Solutions Development Company) targeting inhibition of the mitochondrial pyruvate carrier (MPC) are currently being tested in clinical trials to prevent progression into mild cognitive impairment of Alzheimer's disease (AD) or in the pipeline to prevent neurodegeneration in Parkinson's disease (PD). These have Ki values in the µM range. This study was focused on identifying candidate drug precursors of the natural cinnamic acid products that might have good bioavailability in the nM ranges forming covalent thiol bonds with targets. In silico protein homology modeling and ligand docking has demonstrated that binding cysteine residues within the transport channel is a key part of the inhibitory mechanism. These are covalent thiohemiacetal bonds with the alpha-carbon, carboxylate group, off a phenol ring. Like the classic MPC inhibitors, these natural derivatives of hydroxycinnamic acid have a conjugated pi-system used to form thiol bonds with the cysteine residue via Michael addition.
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Ragsdale, Stephen W., Nirupama Gupta, Ireena Bagai, Andrea Morris Spencer, and Eric Carter. "Thiol/Disulfide Redox Switches as a Regulatory Mechanism in Heme-binding Proteins." In Handbook of Porphyrin Science, 31–54. World Scientific Publishing Company, 2013. http://dx.doi.org/10.1142/9789814407755_0038.

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Yoshihara, Eiji, Zhe Chen, Yoshiyuki Matsuo, Hiroshi Masutani, and Junji Yodoi. "Thiol Redox Transitions by Thioredoxin and Thioredoxin-Binding Protein-2 in Cell Signaling." In Methods in Enzymology, 67–82. Elsevier, 2010. http://dx.doi.org/10.1016/s0076-6879(10)74005-2.

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Dolores Avila-Quezada, Graciela, and Gerardo Pavel Espino-Solis. "Silver Nanoparticles Offer Effective Control of Pathogenic Bacteria in a Wide Range of Food Products." In Pathogenic Bacteria. IntechOpen, 2020. http://dx.doi.org/10.5772/intechopen.89403.

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According to the Food and Agriculture Organization (FAO), food wastage still causes massive economic loss. A major role in this loss is played by the activities of microbial organisms. Treatments such as heat and irradiation can reduce microorganisms in fruits and vegetables and hence reduce postharvest loss. However, some of these treatments can injure the fruit. Effective chemical treatments against bacterial infestations can result in resistance. A more recent method is the use of silver nanoparticles. These can act in a number of ways including at cellular level by inhibiting the cell wall synthesis, by binding to the surface of the cell membrane and by interposing between the DNA base pairs, and by inhibiting biofilm formation, affecting the thiol group of enzymes, affecting bacterial peptides and hence interfering with cell signaling and attaching to the 30S ribosome subunit. A ground-breaking way to survey the effects of the silver nanoparticles on bacterial populations is by flow cytometry. It allows measurement of many characteristics of single cells, including their functional characteristics such as viability and cell cycle. Bacterial viability assays are used with great efficiency to evaluate antibacterial activity by evaluating the physical rupture of the membrane of the bacteria.
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Maret, Wolfgang. "[22] Optical methods for measuring zinc binding and release, zinc coordination environments in zinc finger proteins, and redox sensitivity and activity of zinc-bound thiols." In Protein Sensors and Reactive Oxygen Species - Part B: Thiol Enzymes and Proteins, 230–37. Elsevier, 2002. http://dx.doi.org/10.1016/s0076-6879(02)48641-7.

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Gaslain, Fabrice, Cyril Delacôte, Bénédicte Lebeau, Claire Marichal, Joël Patarin, and Alain Walcarius. "Study of mercury(II) binding to thiol-modified ordered mesoporous silicas by analytical and electrochemical analyses: influence of the pore structure and the functionalization process." In Recent Progress in Mesostructured Materials - Proceedings of the 5th International Mesostructured Materials Symposium (IMMS2006), Shanghai, P.R. China, August 5-7, 2006, 417–20. Elsevier, 2007. http://dx.doi.org/10.1016/s0167-2991(07)80349-1.

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Conference papers on the topic "Thiol binding"

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Osmani, Bekim, Tino Töpper, and Bert Müller. "Highly compliant nanometer-thin Au electrodes exploiting the binding to thiol-functionalized polydimethylsiloxane films." In Electroactive Polymer Actuators and Devices (EAPAD) XX, edited by Yoseph Bar-Cohen. SPIE, 2018. http://dx.doi.org/10.1117/12.2317867.

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Yao, Da-Jen, Chun-Yi Lin, and Fangang Tseng. "The application of Iron Oxide magnetic nanoparticles to improve the binding efficiency of the IgG and Thiol SAMs." In 2007 2nd IEEE International Conference on Nano/Micro Engineered and Molecular Systems. IEEE, 2007. http://dx.doi.org/10.1109/nems.2007.352255.

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Khanna, K., W. Raymond, J. Jin, A. R. Charbit, I. Gitlin, M. Tang, A. D. Werts, et al. "Thiol Drugs Decrease SARS-CoV-2 Lung Injury In Vivoand Disrupt SARS-CoV-2 Spike Complex Binding to ACE-2In Vitro." In American Thoracic Society 2022 International Conference, May 13-18, 2022 - San Francisco, CA. American Thoracic Society, 2022. http://dx.doi.org/10.1164/ajrccm-conference.2022.205.1_meetingabstracts.a3546.

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Koneti Rao, A., and Maria A. Kowalska. "ADP-INDUCED CYTOPLASMIC CALCIUM MOBILIZATION AND SHAPE CHANGE IN PLATELETS ARE MEDIATED BY DIFFERENT BINDING SITES." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1644466.

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Platelet stimulation with ADP results in a number of responses including increase in cytoplasmic ionized calcium concentration [Ca2+]i, shape change, aggregation, secretion, and inhibition of cAMP accumulation caused by PGI2.5'-Fluorosulphonylbenzoyladenosine (FSBA), which covalently labels ADP binding site on platelets, blocks platelet shape change but not inhibition of cyclic AMP levels by ADP, while p-chloromercuribenzenesulfonate (pCMBS), a non-penetrating thiol reagent, blocks ADP-induced inhibition of adenylate cyclase but not shape change. We examined the effect of FSBA and pCMBS on ADP-induced increase in [Ca2+]i to determine whether it is linked to the binding site mediating shape change or that for inhibition of adenylate cyclase. In platelets loaded with Ca2+ indicators, quin 2 or fura 2, and in presence of adenosine deaminase (AD), FSBA (50-200 μM) induced a dose-dependent, rapid rise in [Ca2+]i. from basal levels of 70-90 nM to peak levels of 300-500 nM in the presence of 1 mM external Ca2+ providing direct evidence that FSBA is a platelet agonist. The [Ca2+ ]i. returned to near basal levels over 30 min. The effect of FSBA on [Ca2+]i. was inhibited by ZK 36,374 (40 nM), a stable PGI2 analog. AdP concentrations eliciting similar responses were about 10-fold less than those for FSBA. Platelet incubation with FSBA (50-100 μM) in the presence of AD for 30 min (to ensure optimal covalent labelling of the ADP binding sites) abolished shape change but jjid not inhibit ADP (5, 25 μM)-induced increase in [Ca2+]i. or block the inhibitory effect of ADP on cAMP accumulation in1platelets exposed to ZK 36,374 (50 nM) in.presence of theophylline (7 mM). Incubation with pCMBS (5-100 pM, 2 min) abolished the effect of ADP on [Ca2+]. and on the inhibition of cAMP levels; shape change was not 1 inhabited even at 1 mM. pCMBS (0.5-1 mM) inhibited the rise in [Ca2+ ]. by FSBA alone. These observations suggest that ADP-induced Ca mobilization is mediated by platelet binding sites which are distinct from those mediating shape change but probably the same as those modulating adenylate cyclase.
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Lim, Si-Hyung “Shawn”, Digvijay Raorane, Srinath Satyanarayana, and Arunava Majumdar. "Nano-Chemo-Mechanical Sensor Array Platform for High Throughput Selective Coating Material Search." In ASME 2005 International Mechanical Engineering Congress and Exposition. ASMEDC, 2005. http://dx.doi.org/10.1115/imece2005-82151.

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Microcantilever (MC) sensors can detect the presence of chemical vapors at very low concentrations based on the surface stress changes generated by the interactions between probe and target molecules on their surfaces [1-2]. The magnitude of the surface stress change depends on the type of interaction taking place which include hydrogen bonding, electrostatic, van der Waals forces, etc. Pinnaduwage et al [2] demonstrated detection of explosive materials at ultra low concentrations (10-30 ppt) using single MC AFM tip coated with a thiol (-SH) self assembled monolayer (SAM). They were able to get highly sensitive and reproducible signals from their MC sensor while detecting chemicals like PETN, RDX, etc. However, they did not demonstrate the specificity of the coating material to explosive materials. Most types of chemical sensors (metal oxide, conductive polymer, carbon nano tube or belt sensors) are known to respond to interfering chemical agents in a similar manner as the target. Bietsch et al [3] used a set of MC’s (1D array) coated with different types of polymers as chemical sensing layers to try and identify unique deflection signatures for each target chemical. The performance of such sensors is expected to degrade during long term usage as the binding force between the polymer coating and the silicon cantilever structure is weak. Furthermore, polymer coating layers are in general not selective to specific target vapors since they have limited chemical and structural information due to the simple repetition of same chemical structure. To increase the selectivity for a particular target vapor, it is necessary to develop coating materials, which have enough chemical/structural information and long term stability specifically for that target. To expedite the screening process for testing several coating materials in parallel, we need a high throughput sensor array platform.
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Colman, R. W., A. Gewirtz, D. L. Wang, M. M. Huh, B. P. Schick, P. K. Schick, and C. L. Shapiro. "BIOSYNTHESIS AND EXPRESSION OF FACTOR V IN MAGAKARYOCYTES." In XIth International Congress on Thrombosis and Haemostasis. Schattauer GmbH, 1987. http://dx.doi.org/10.1055/s-0038-1642955.

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Coagulation factor V (FV), is a single chain, multifunctional glycoprotein of Mr 350,000 which interacts with a variety of hemostatic proteins such as factor Xa, prothrombin, thrombin and protein C, on the surface of platelets and vascular endothelial cells. FV serves as both a cofactor and substrate in the generation of thrombin and plays a critical regulatory role in both physiologic hemostasis and pathologic thrombosis. The biosynthesis of FV and its subsequent expression are therefore expected to be precisely controlled and may differ in the three sites of synthesis - hepatocytes, endothelial cells, and megakaryocytes (MK). We have previously demonstrated that each guinea pig MK contains 500 times as much FV as in a platelet, as quantified by a competitive enzyme-linked-immunosorbent assay and expresses FV by cytoimmunofluorescence. De novo biosynthesis was demonstrated by incorporation of S-methionine into FV purified on a immunoaffinity column. The purified MK protein exhibited both FV coagulant activity and antigenicity. However, MK FV was more slowly activated by thrombin, more stable in the absence of Ca and exhibited a slightly higher M of 380,000 compared to plasma FV. Similar studies have documented biosynthesis in human MK. In addition, all morphologically recognizable MK enriched by elutriation from human bone marrow contained FV as documented by both monospecific polyclonal and monoclonal antibodies (MAb) to FV. All these cells bound FV since a murine MAb reacting with the light chain of FV (B38) labeled all cells. In contrast, 68% of cells synthesized FV since B10, a MAb to the activation peptide recognizing FV but not FVa, labeled this fraction. To determine whether immature nonnorphologically recognizable MK expressed FV, we identified these cells with an antiserum to human platelet glycoproteins and then probed them with B38. Seventy percent (70%) of such small cells expressed FV. In contrast, no small cells in MK colonies cloned in FV deficient medium expressed FV while only 40% of such colonies contained cells which expressed FV.To further probe the regulation of FV in MK we attempted to correlate the synthesis of FV as probed by MAb B10 with geometric mean cell diameter, stage and ploidy. No significant correlation of FV with any of these indicators of MK maturation. In contrast, preliminary studies suggest that low doses of tetradecanoyl phorbol acetate augment both the number of MK containing FV and the level of FV expressed by individual cells. Thus, FV synthesis may be regulated independent of size, stage, or ploidy and protein kinase C may play a role.To further define the molecular nature of FV in MK we found that purified FV was converted from a monomer to high Mr multimers by an enzyme derived from MK. These multimers resulting from covalent crosslinking since they were stable to SDS, 100° C and reducing agents. The responsible enzyme appeared to be MK FXIIIa since it required C, was inhibited by agents which react with the active site thiol group and was blocked by pseudoamine donor substrates such as putrescine. In addition, FXIIIa was directly demonstrated in guinea pig MK by a specific activity stain. Other investigators have established that FV became irreversibly associated with platelet cytoskeletons after exposure to thrombin. tested whether FXIIIa might mediate this association by performing ligand blotting of platelet membrane proteins using 125I-FV(FV*). Only actin of all the membrane proteins was detected by radioautography. The binding of FV* to the cytoskeleton was dependent in the presence of Ca and FXIIIa. In purified systems crosslinked complexes containing FV* or radiolabeled actin were detected in separate experiments. In whole platelets, the formation of the heteropolymer, after thrombin stimulation, was inhibited by antibodies to FXIII a chain, FV activation peptide (B10) or actin. Endogenous platelet FV was also dependent on FXIII for incorporation into the platelet cytoskeleton after thrombin stimulation. When thrombin-treated FV was crosslinked to actin only the activation peptide (150 kDa) was crosslinked. The light chain or heavy chain of FVa were not involved. Thus FXIIIa play an important role in the binding of FV in platelets to the cytoskeleton during activation and secretion.Further studies of FV in megakaryocytes are necessary to define the regulation of biosynthesis and the control of expression which dictate its critical role in hemostasis and thrombosis.
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Reports on the topic "Thiol binding"

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Binding of electrophilic chemicals to SH(thiol)-group of proteins and /or to seleno-proteins involved in protection against oxidative stress during brain development leading to impairment of learning and memory. Organisation for Economic Co-Operation and Development (OECD), December 2022. http://dx.doi.org/10.1787/4df0e9e4-en.

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