Conducting Miller-Urey Experiments

In 1953, Stanley Miller reported the production of biomolecules from simple gaseous starting materials, using an apparatus constructed to simulate the ...

Georgia Institute of Technology

This study characterizes the loss of Ba and Sr from glass particle/resin-matrix dental composites during simulated aging.

Barium and strontium leaching from aged glass particle/resin matrix dental composites.

Some dental composites consist of a polymerizable resin matrix bound to glass filler particles by silane coupling agents. The resin in these composites includes bisphenol A diglycidyl methacrylate (Bis-GMA) as well as other organic components. Silane coupling agents such as 3-(trimethoxysilyl) propyl methacrylate (MPS) have been used to improve the mechanical properties of the dental composites by forming a covalent bond between the glass filler particles and the resin. These resin-glass composites undergo material property changes during exposure to the oral environment, but degradation studies of the commercial composites are severely limited by their chemical complexity. A simplified model of the dental composite has been developed, which captures the essential chemical characteristics of the filler particle-silane-resin interface. This model system consists of the resin matrix compound Bis-GMA covalently bound via a methacryloyl overlayer to amorphous silicon oxide (SiO2) surface via a siloxane bond. Scanning electron microscopy shows the porous characteristic and elemental composition of the SiO2 film, which approximately mimics that of the glass filler particles used in dental composites. LDPI MS and XPS verify the chemistry and morphology of the Bis-GMA-methacryloyl overlayer. Preliminary results demonstrate that LDPI MS will be able to follow the chemical processes resulting from aging Bis-GMA-methacryloyl overlayers aged in water, artificial saliva, or other aging solutions.

Organic overlayer model of a dental composite analyzed by laser desorption postionization mass spectrometry and photoemission.

Bisphenol A diglycidyl methacrylate (Bis-GMA) was adsorbed onto or covalently bound to a porous silicon oxide surface. Laser desorption 10.5 eV postionization mass spectrometry (LDPI-MS) was previously demonstrated for surface analysis of adsorbed and surface bound Bis-GMA, but signal to noise levels were low and ion fragmentation was extensive. 7.87 eV postionization using the fluorine laser was demonstrated here for Bis-GMA. However, signal levels remained low for LDPI-MS of Bis-GMA as its ionization potential (IP) was only approximately 7.8 eV, near threshold for single photon ionization by the 7.87 eV fluorine laser. It is known that aromatic tagging of molecular analytes can lower the overall IP of the tagged molecular complex, allowing 7.87 eV single photon ionization. Therefore, Bis-GMA was also derivatized with several tags whose IPs were either below or above 7.87 eV: the tag with an IP below 7.87 eV enhanced single photon ionization while the tags with higher IPs did not. However, signal intensities were enhanced by resonant laser desorption for two of the derivatized Bis-GMAs. Intact ions of Bis-GMA and its derivatives were generally observed by 7.87 eV LDPI-MS, consistent with the formation of ions with relatively little internal energy upon threshold single photon ionization.

7.87 eV laser desorption postionization mass spectrometry of adsorbed and covalently bound bisphenol A diglycidyl methacrylate.

One of the main challenges in high-throughput serum profiling by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is the development of proteome fractionation approaches that allow the acquisition of reproducible profiles with a maximum number of spectral features and minimum interferences from biological matrices. This study evaluates a new class of solid-phase extraction (SPE) pipette tips embedded with different chromatographic media for fractionation of model protein digests and serum samples. The materials embedded include strong anion exchange (SAX), weak cation exchange (WCX), C18, C8, C4, immobilized metal affinity chromatography (IMAC) and zirconium dioxide particles. Simple and rapid serum proteome profiling protocols based on these SPE micro tips are described and tested using a variety of MALDI matrices. We show that different types of particle-embedded SPE micro tips provide complementary information in terms of the spectral features detected for beta-casein digests and control human serum samples. The effect of different sample pretreatments, such as serum dilution and ultrafiltration using molecular weight cut-off membranes, and the reproducibility observed for replicate experiments, are also evaluated. The results demonstrate the usefulness of these simple SPE tips combined with offline MALDI-TOF MS for obtaining information-rich serum profiles, resulting in a robust, versatile and reproducible open-source platform for serum biomarker discovery.

Serum biomarker profiling by solid-phase extraction with particle-embedded micro tips and matrix-assisted laser desorption/ionization mass spectrometry.

The majority of ovarian cancer biomarker discovery efforts focus on the identification of proteins that can improve the predictive power of presently available diagnostic tests. We here show that metabolomics, the study of metabolic changes in biological systems, can also provide characteristic small molecule fingerprints related to this disease.

Ovarian cancer detection from metabolomic liquid chromatography/mass spectrometry data by support vector machines.

Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.

Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.

Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.

Rapid mass spectrometric metabolic profiling of blood sera detects ovarian cancer with high accuracy.

En una b&uacute;squeda de biomarcadores de salud en los tiburones ballena y como exploraci&oacute;n de metabol&oacute;mica como una herramienta moderna para la fisiolog&iacute;a animal de la comprensi&oacute;n, la composici&oacute;n de metabolito de suero en seis tiburones ballena (Rhincodon typus) de una colecci&oacute;n de acuario fue explorada mediante espectroscopia de resonancia magn&eacute;tica nuclear (RMN) H (1) y el an&aacute;lisis directo en tiempo real (DART), espectrometr&iacute;a de masas (MS). An&aacute;lisis de componentes principales (PCA) de espectral datos mostraron que los individuos pod&iacute;an resolverse partiendo de la composici&oacute;n del metabolito de su suero y que dos individuos poco saludables podr&iacute;an ser discriminados de los restantes animales sanos. La principal diferencia entre individuos saludables y no saludables fue la concentraci&oacute;n de homarine, informado aqu&iacute; por primera vez en una de elasmobranquios, que estaban presente en concentraciones sustancialmente menores en insalubres tiburones ballena, sugiriendo que este metabolito puede ser un biomarcador &uacute;til del estado de salud en esta especie. La funci&oacute;n o funciones de homarine en los tiburones siguen siendo incierta, pero probablemente juega un papel importante como un osmolyte. La presencia de &oacute;xido de trimetilamina (OTMA), otro conocido osmolyte protectora de elasmobranquios, en 0.1-0.3 mol L(-1) tambi&eacute;n fue confirmada mediante RMN y MS. - veintitr&eacute;s biomarcadores potenciales adicionales fueron identificados basados en diferencias significativas en la frecuencia de su ocurrencia entre las muestras de animales saludables y no saludables, seg&uacute;n lo detectado por la Sra. DART en general, RMN y MS proporcionan datos complementarios que demostraron eso metabol&oacute;mica est&aacute;n un m&eacute;todo &uacute;til para prospecci&oacute;n en especies poco estudiadas como elasmobranquios de biomarcadores.

Biomarcadores de tibur&oacute;n ballena salud: un enfoque de metabol&oacute;mica.

&#x5728;&#x641C;&#x7D22;&#x7684;&#x5065;&#x5EB7;&#x5728;&#x9CB8;&#x9CA8;&#x548C;&#x4F5C;&#x4E3A;&#x7406;&#x89E3;&#x52A8;&#x7269;&#x751F;&#x7406;&#x5B66;&#x7684;&#x73B0;&#x4EE3;&#x5DE5;&#x5177;&#x7684;&#x4EE3;&#x8C22;&#x7EC4;&#x5B66;&#x63A2;&#x7D22;&#x751F;&#x7269;&#x6807;&#x5FD7;&#x7269;&#xFF0C;&#x4EE3;&#x8C22;&#x7269;&#x7EC4;&#x6210;&#x7684;&#x8840;&#x6E05;&#x4E2D;&#x516D;&#x9CB8;&#x9CA8; &#xFF08;Rhincodon typus&#xFF09; &#x4ECE;&#x6C34;&#x65CF;&#x9986;&#x96C6;&#x5408;&#x4E86;&#x63A2;&#x8BA8;&#x4F7F;&#x7528; (1) H &#x6838;&#x78C1;&#x5171;&#x632F; (NMR) &#x5149;&#x8C31;&#x548C;&#x76F4;&#x63A5;&#x5206;&#x6790; (DART) &#x5B9E;&#x65F6;&#x8D28;&#x8C31; (MS) &#x4E2D;&#x3002;&#x4E3B;&#x6210;&#x5206;&#x5206;&#x6790; (PCA) &#x7684;&#x5149;&#x8C31;&#x6570;&#x636E;&#x663E;&#x793A;&#x52A8;&#x7269;&#x4E2A;&#x4F53;&#x53EF;&#x4EE5;&#x89E3;&#x51B3;&#x57FA;&#x4E8E;&#x5176;&#x8840;&#x6E05;&#x7684;&#x4EE3;&#x8C22;&#x7269;&#x7EC4;&#x6210;&#x548C;&#x53EF;&#x4EE5;&#x4ECE;&#x5269;&#x4F59;&#x7684;&#x5065;&#x5EB7;&#x52A8;&#x7269;&#x6B67;&#x89C6;&#x4E0D;&#x5065;&#x5EB7;&#x7684;&#x4E24;&#x4E2A;&#x4EBA;&#x3002;&#x5065;&#x5EB7;&#x548C;&#x4E0D;&#x5065;&#x5EB7;&#x7684;&#x4E2A;&#x4EBA;&#x4E4B;&#x95F4;&#x7684;&#x4E3B;&#x8981;&#x533A;&#x522B;&#x662F; homarine&#xFF0C;&#x5728;&#x8FD9;&#x91CC;&#x62A5;&#x9053;&#x7B2C;&#x4E00;&#x6B21;&#x5728;&#x677F;&#x9CC3;&#x9C7C;&#x7C7B;&#xFF0C;&#x5B83;&#x51FA;&#x5E2D;&#x4E86;&#x5728;&#x4E0D;&#x5065;&#x5EB7;&#x7684;&#x9CB8;&#x9CA8;&#xFF0C;&#x8FD9;&#x8868;&#x660E;&#x8FD9;&#x79CD;&#x4EE3;&#x8C22;&#x7269;&#x53EF;&#x80FD;&#x6709;&#x7528;&#x7684;&#x751F;&#x7269;&#x6807;&#x5FD7;&#x7269;&#x5728;&#x8FD9;&#x4E00;&#x7269;&#x79CD;&#x7684;&#x5065;&#x5EB7;&#x72B6;&#x51B5;&#x5927;&#x5927;&#x964D;&#x4F4E;&#x6D53;&#x5EA6;&#x7684;&#x6D53;&#x5EA6;&#x3002;&#x9CA8;&#x9C7C;&#x4E2D;&#x7684; homarine &#x51FD;&#x6570;&#x4ECD;&#x4E0D;&#x660E;&#x6717;&#xFF0C;&#x4F46;&#x5B83;&#x53EF;&#x80FD;&#x8D77;&#x7740;&#x91CD;&#x8981;&#x7684;&#x4F5C;&#x7528;&#xFF0C;&#x4F5C;&#x4E3A;&#x6E17;&#x900F;&#x5206;&#x5B50;&#x3002;&#x53E6;&#x4E00;&#x4E2A;&#x77E5;&#x540D;&#x7684;&#x4FDD;&#x62A4;&#x4E0B;&#x7684; elasmobranchs&#xFF0C;&#x5728; 0.1-0.3 &#x6C27;&#x5316;&#x4E09;&#x7532;&#x80FA; &#xFF08;&#x80FA;&#xFF09; &#x7684;&#x5B58;&#x5728; mol L(-1) &#x4E5F;&#x8BC1;&#x5B9E;&#x4F7F;&#x7528;&#x6838;&#x78C1;&#x5171;&#x632F;&#x548C;&#x5973;&#x58EB;&#x4E8C;&#x5341;-&#x4E09;&#x989D;&#x5916;&#x6F5C;&#x5728;&#x751F;&#x7269;&#x6807;&#x5FD7;&#x7269;&#x53D1;&#x73B0;&#x57FA;&#x4E8E;&#x5176;&#x6837;&#x672C;&#x4ECE;&#x5065;&#x5EB7;&#x548C;&#x4E0D;&#x5065;&#x5EB7;&#x7684;&#x52A8;&#x7269;&#x4E4B;&#x95F4;&#x53D1;&#x751F;&#x7684;&#x9891;&#x7387;&#x663E;&#x8457;&#x5DEE;&#x5F02;&#xFF0C;&#x5982;&#x68C0;&#x6D4B;&#x5230;&#x7684; DART &#x5973;&#x58EB;&#x6574;&#x4F53;&#x6838;&#x78C1;&#x5171;&#x632F;&#x548C; MS &#x63D0;&#x4F9B;&#x8865;&#x5145;&#x6570;&#x636E;&#x8868;&#x660E;&#xFF0C;&#x4EE3;&#x8C22;&#x7EC4;&#x5B66;&#x662F;&#x63A2;&#x77FF; elasmobranchs &#x50CF;&#x5DEE;&#x7814;&#x7A76;&#x7269;&#x79CD;&#x7684;&#x751F;&#x7269;&#x6807;&#x5FD7;&#x7269;&#x7684;&#x6709;&#x7528;&#x65B9;&#x6CD5;&#x3002;

&#x9CB8;&#x9CA8;&#x5065;&#x5EB7;&#x7684;&#x751F;&#x7269;&#x6807;&#x5FD7;&#x7269;&#xFF1A; &#x4EE3;&#x8C22;&#x7EC4;&#x5B66;&#x65B9;&#x6CD5;&#x3002;

In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using (1)H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1-0.3 mol L(-1) was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.

Biomarkers of whale shark health: a metabolomic approach.

Dans une recherche de biomarqueurs de la sant&eacute; dans les requins-baleines et que l&#39;exploration de la m&eacute;tabolomique comme un outil moderne pour la physiologie animale de compr&eacute;hension, la composition de m&eacute;tabolite de s&eacute;rum dans six requins-baleine (Rhincodon typus) d&#39;une collection de l&#39;aquarium a &eacute;t&eacute; explor&eacute;e &agrave; l&#39;aide de la spectroscopie de r&eacute;sonance magn&eacute;tique nucl&eacute;aire (RMN) H (1) et l&#39;analyse directe en temps r&eacute;el (DART) spectrom&eacute;trie de masse (MS). Analyse en composantes principales (PCA) de spectral donn&eacute;es ont montr&eacute; que des animaux pourraient &ecirc;tre r&eacute;solues bas&eacute;e sur la composition de m&eacute;tabolite de leur s&eacute;rum et que deux individus malsains pouvaient &ecirc;tre distingu&eacute;s des animaux sains restants. La principale diff&eacute;rence entre les individus sains et malsains &eacute;tait la concentration de homarine, rapport&eacute;e ici pour la premi&egrave;re fois dans un &eacute;lasmobranche, qui &eacute;tait pr&eacute;sent &agrave; des concentrations beaucoup plus faibles dans malsaines des requins-baleines, sugg&eacute;rant que ce m&eacute;tabolite pourrait &ecirc;tre un biomarqueur utile de l&#39;&eacute;tat de sant&eacute; chez cette esp&egrave;ce. L&#39;ou les fonctions de homarine dans les requins restent incertaine, mais il est probable joue un r&ocirc;le important comme un osmolyte. La pr&eacute;sence d&#39;oxyde de trim&eacute;thylamine (TMAO), un autre c&eacute;l&egrave;bre osmolyte protectrice des &eacute;lasmobranches, &agrave; 0,1 et 0,3 mol L(-1) a &eacute;galement &eacute;t&eacute; confirm&eacute;e &agrave; l&#39;aide de la RMN et MS. vingt - trois autres biomarqueurs potentiels ont &eacute;t&eacute; identifi&eacute;s &agrave; l&#39;issu des diff&eacute;rences significatives dans la fr&eacute;quence de leur survenue entre les &eacute;chantillons provenant d&#39;animaux sains et malsains, tel que d&eacute;tect&eacute; par Mme DART Overall, RMN et SM fourni des donn&eacute;es compl&eacute;mentaires qui ont montr&eacute; que la m&eacute;tabolomique sont une approche utile pour biomarqueur prospection en esp&egrave;ces mal &eacute;tudi&eacute;es comme chez les &eacute;lasmobranches.

Biomarqueurs du requin-baleine sant&eacute; : une approche m&eacute;tabolomique.

Suche nach Biomarkern der Gesundheit in Walhaie und als Erforschung der Metabolomik als modernes Werkzeug f&uuml;r Verst&auml;ndnis Tierphysiologie wurde die Metabolit Zusammensetzung des Serums in sechs Walhai (Rhincodon Typus) aus einer Aquarium-Auflistung verwenden (1) H Kernspinresonanz (NMR) Spektroskopie und direkte Analyse in Echtzeit (DART)-Massenspektrometrie (MS) erforscht. Hauptkomponenten Analyse (PCA) der spektralen Daten zeigten, dass einzelne Tiere aufgel&ouml;st werden konnte der Metabolit Zusammensetzung ihrer Serum und dass auf zwei ungesunde Individuen von den verbleibenden gesunden Tieren diskriminiert werden k&ouml;nnte. Der Hauptunterschied zwischen gesunden und ungesunden Personen war die Konzentration der Homarine, berichtet hier zum ersten Mal in einem Knorpelfische, die bei wesentlich geringeren Konzentrationen in ungesunden Walhaie, was darauf hindeutet, dass dieses Stoffwechselprodukt n&uuml;tzliche Biomarker Gesundheitsstatus in dieser Art m&ouml;glicherweise anwesend war. Die Funktion(en) des Homarine Haien bleiben unsicher, aber es wahrscheinlich spielt eine bedeutende Rolle als ein Osmolyte. Das Vorhandensein von Trimethylamin-oxid (TMAO), eine andere bekannte sch&uuml;tzende Osmolyte des Chondrichthyes, bei 0,1-0,3 Mol L(-1) best&auml;tigte mit NMR und MS zwanzig - drei zus&auml;tzliche potenzielle Biomarker identifiziert wurden, basierend auf signifikante Unterschiede in der H&auml;ufigkeit ihres Auftretens zwischen Proben von gesunden und ungesunden Tieren, wie von DART Frau insgesamt erkannt NMR und MS bereitgestellten erg&auml;nzende Angaben, die zeigte, dass Metabolomik ist eine sinnvolle Vorgehensweise f&uuml;r Biomarker Prospektion im schlecht untersuchten Arten wie Chondrichthyes.

Biomarker der Walhai-Gesundheit: eine metabolische Ansatz.

In una ricerca di biomarcatori di salute in squali balena e come esplorazione della metabolomica come un moderno strumento per fisiologia animale comprensione, la composizione del metabolita del siero in sei squali balena (Rhincodon typus) da un insieme di acquario &egrave; stata esplorata mediante spettroscopia di risonanza magnetica nucleare (NMR) H (1) e l&#39;analisi diretta in tempo reale (DART) spettrometria di massa (MS). Analisi delle componenti principali (PCA) di spettrale dei dati ha mostrati che i singoli animali potrebbero essere risolti basano sulla composizione del loro siero metabolita e che due individui non sani potrebbero essere discriminati dalle rimanenti animali sani. La differenza principale tra individui sani e malsani era la concentrazione di homarine, qui riportata per la prima volta in un altri Elasmobranchi, che era presente a concentrazioni sostanzialmente inferiori in malsani gli squali balena, suggerendo che questo metabolita pu&ograve; essere un utile biomarcatore della stato di salute in questa specie. La funzione homarine in squali restano incerte, ma probabilmente gioca un ruolo significativo come un osmolita. La presenza di ossido di trimetilammina (TMAO), un altro ben noto osmolita protettivo di elasmobranchi, a 0.1-0.3 mol L(-1) &egrave; stata anche confermata mediante NMR e MS venti - tre ulteriori potenziali biomarcatori sono stati identificati basato su differenze significative nella frequenza della loro insorgenza tra i campioni da animali sani e malsani, come rilevato da complessivo DART MS, NMR e MS fornito dati complementari che hanno mostrato che la metabolomica sono un approccio utile per biomarcatore prospezione in specie poco studiate come elasmobranchi.

Biomarcatori di squalo balena salute: un approccio metabolomica.

&#x5065;&#x5EB7;&#x30B8;&#x30F3;&#x30D9;&#x30A8;&#x30B6;&#x30E1;&#x3068;&#x30E1;&#x30BF;&#x30DC;&#x30ED;&#x30DF;&#x30AF;&#x30B9;&#x7406;&#x89E3;&#x52D5;&#x7269;&#x751F;&#x7406;&#x5B66;&#x306E;&#x8FD1;&#x4EE3;&#x7684;&#x306A;&#x30C4;&#x30FC;&#x30EB;&#x3068;&#x3057;&#x3066;&#x306E;&#x63A2;&#x67FB;&#x3068;&#x3057;&#x3066;&#x306E;&#x30D0;&#x30A4;&#x30AA; &#x30DE;&#x30FC;&#x30AB;&#x30FC;&#x306E;&#x63A2;&#x7D22;&#x3067; 6 &#x30B8;&#x30F3;&#x30D9;&#x30A4;&#x30B6;&#x30E1; &#xFF08;&#x30B8;&#x30F3;&#x30D9;&#x30A4;&#x30B6;&#x30E1;&#x7121;&#x3044;) &#x6C34;&#x65CF;&#x9928;&#x306E;&#x30B3;&#x30EC;&#x30AF;&#x30B7;&#x30E7;&#x30F3;&#x304B;&#x3089;&#x306E;&#x8840;&#x6E05;&#x306E;&#x4EE3;&#x8B1D;&#x7269;&#x7D44;&#x6210; (1) H &#x6838;&#x78C1;&#x6C17;&#x5171;&#x9CF4; &#xFF08;NMR&#xFF09; &#x5206;&#x5149;&#x6CD5;&#x3068;&#x76F4;&#x63A5;&#x5206;&#x6790;&#x30EA;&#x30A2;&#x30EB;&#x30BF;&#x30A4;&#x30E0; (DART) &#x8CEA;&#x91CF;&#x5206;&#x6790;&#x6CD5; (MS) &#x3092;&#x4F7F;&#x7528;&#x3057;&#x3066;&#x691C;&#x8A0E;&#x3055;&#x308C;&#x307E;&#x3057;&#x305F;&#x3002;&#x4E3B;&#x6210;&#x5206;&#x5206;&#x6790; (PCA) &#x306E;&#x30B9;&#x30DA;&#x30AF;&#x30C8;&#x30EB;&#x500B;&#x3005; &#x306E;&#x52D5;&#x7269;&#x304C;&#x89E3;&#x6C7A;&#x3067;&#x304D;&#x308B;&#x3053;&#x3068;&#x3092;&#x793A;&#x3057;&#x305F;&#x30C7;&#x30FC;&#x30BF;&#x306F;&#x8840;&#x6E05;&#x4E2D;&#x4EE3;&#x8B1D;&#x7269;&#x5408;&#x6210;&#x306B;&#x57FA;&#x3065;&#x304F;&#x3001;2 &#x3064;&#x306E;&#x4E0D;&#x5065;&#x5168;&#x306A;&#x500B;&#x4EBA;&#x304B;&#x3089;&#x6B8B;&#x308A;&#x306E;&#x5065;&#x5EB7;&#x306A;&#x52D5;&#x7269;&#x3055;&#x308C;&#x308B;&#x53EF;&#x80FD;&#x6027;&#x304C;&#x3042;&#x308A;&#x307E;&#x3059;&#x3002;&#x5065;&#x5EB7;&#x3067;&#x4E0D;&#x5065;&#x5168;&#x306A;&#x500B;&#x4EBA;&#x9593;&#x306E;&#x5927;&#x304D;&#x306A;&#x9055;&#x3044;&#x306F;&#x3001;&#x3053;&#x3053;&#x3067;&#x3053;&#x306E;&#x4EE3;&#x8B1D;&#x7269;&#x306E;&#x3053;&#x306E;&#x7A2E;&#x306E;&#x5065;&#x5EB7;&#x72B6;&#x614B;&#x306E;&#x6709;&#x7528;&#x306A;&#x30D0;&#x30A4;&#x30AA; &#x30DE;&#x30FC;&#x30AB;&#x30FC;&#x306B;&#x306A;&#x308B;&#x53EF;&#x80FD;&#x6027;&#x3092;&#x793A;&#x5506;&#x4E0D;&#x5065;&#x5EB7;&#x306A;&#x30B8;&#x30F3;&#x30D9;&#x30A4;&#x30B6;&#x30E1;&#x306E;&#x5B9F;&#x8CEA;&#x7684;&#x306B;&#x4F4E;&#x6FC3;&#x5EA6;&#x3067;&#x5B58;&#x5728;&#x3057;&#x3066;&#x3044;&#x305F;&#x3057;&#x305F;&#x677F;&#x9C13;&#x985E;&#x3067;&#x521D;&#x3081;&#x3066;&#x5831;&#x544A;&#x30DB;&#x30DE;&#x30EA;&#x30F3;&#x306B;&#x95A2;&#x3059;&#x308B;&#x7814;&#x7A76;&#x6FC3;&#x5EA6;&#x3060;&#x3063;&#x305F;&#x3002;&#x30B5;&#x30E1;&#x306E;&#x30DB;&#x30DE;&#x30EA;&#x30F3;&#x306B;&#x95A2;&#x3059;&#x308B;&#x95A2;&#x6570;&#x304C;&#x305D;&#x308C;&#x306F;&#x53EF;&#x80FD;&#x6027;&#x304C;&#x9AD8;&#x3044; osmolyte &#x3068;&#x3057;&#x3066;&#x91CD;&#x8981;&#x306A;&#x5F79;&#x5272;&#x3092;&#x679C;&#x305F;&#x3057;&#x3066;&#x3044;&#x307E;&#x3059;&#x3002;&#x5B58;&#x5728;&#x306E;&#x30C8;&#x30EA;&#x30E1;&#x30C1;&#x30EB;&#x30A2;&#x30DF;&#x30F3;&#x30AA;&#x30AD;&#x30B7;&#x30C9; (TMAO)&#x3001;&#x5225;&#x306E;&#x3088;&#x304F;&#x77E5;&#x3089;&#x308C;&#x3066;&#x3044;&#x308B;&#x4FDD;&#x8B77; osmolyte &#x9C13; 0.1 0.3 &#x3067;&#x306E; NMR &#x3068;&#x3055;&#x3093; 20 - &#x8FFD;&#x52A0;&#x306E;&#x6F5C;&#x5728;&#x7684;&#x306A;&#x30D0;&#x30A4;&#x30AA; &#x30DE;&#x30FC;&#x30AB;&#x30FC;&#x304C;&#x8B58;&#x5225;&#x3055;&#x308C;&#x3001;&#x6B63;&#x5E38;&#x304A;&#x3088;&#x3073;&#x7570;&#x5E38;&#x306A;&#x52D5;&#x7269;&#x304B;&#x3089;&#x306E;&#x30B5;&#x30F3;&#x30D7;&#x30EB;&#x306E;&#x9593;&#x767A;&#x751F;&#x983B;&#x5EA6;&#x306B;&#x6709;&#x610F;&#x5DEE;&#x306B;&#x57FA;&#x3065;&#x304F; 3 &#x306E;&#x4E21;&#x65B9;&#x3092;&#x4F7F;&#x7528;&#x3057;&#x3066; L(-1) &#x3082;&#x306B;&#x78BA;&#x8A8D;&#x3055;&#x308C;&#x305F; mol &#x5168;&#x4F53;&#x7684;&#x306A; DART &#x3055;&#x3093;&#x3001;&#x691C;&#x51FA; NMR &#x3068; MS &#x5B9A;&#x3081;&#x308B;&#x305D;&#x306E;&#x30E1;&#x30BF;&#x30DC;&#x30ED;&#x30DF;&#x30AF;&#x30B9;&#x3092;&#x793A;&#x3057;&#x305F;&#x30C7;&#x30FC;&#x30BF;&#x3092;&#x76F8;&#x88DC;&#x9C13;&#x306E;&#x3088;&#x3046;&#x306A;&#x60AA;&#x3044;&#x7A2E;&#x63A2;&#x67FB;&#x30D0;&#x30A4;&#x30AA; &#x30DE;&#x30FC;&#x30AB;&#x30FC;&#x306E;&#x6709;&#x7528;&#x306A;&#x30A2;&#x30D7;&#x30ED;&#x30FC;&#x30C1;&#x3002;

&#x30B8;&#x30F3;&#x30D9;&#x30A4;&#x30B6;&#x30E1;&#x5065;&#x5EB7;&#x306E;&#x30D0;&#x30A4;&#x30AA; &#x30DE;&#x30FC;&#x30AB;&#x30FC;: &#x30E1;&#x30BF;&#x30DC;&#x30ED;&#x30FC;&#x30E0; &#x30A2;&#x30D7;&#x30ED;&#x30FC;&#x30C1;&#x3002;

&#xACE0;&#xB798; &#xC0C1;&#xC5B4;&#xC640; &#xC774;&#xD574; &#xB3D9;&#xBB3C; &#xC0DD;&#xB9AC;&#xD559;&#xC5D0; &#xB300; &#xD55C; &#xD604;&#xB300;&#xC801;&#xC778; &#xB3C4;&#xAD6C;&#xB85C; &#xB300;&#xC0AC;&#xCCB4;&#xD559;&#xC758; &#xD0D0;&#xC0AC;&#xB85C; &#xAC74;&#xAC15;&#xC758; &#xC0DD;&#xCCB4;&#xC5D0; &#xB300; &#xD55C; &#xAC80;&#xC0C9;, &#xC218;&#xC871;&#xAD00; &#xCEEC;&#xB809;&#xC158;&#xC5D0;&#xC11C; 6 &#xACE0;&#xB798; &#xC0C1;&#xC5B4; (Rhincodon typus)&#xC5D0;&#xC11C; &#xD608; &#xCCAD;&#xC758; &#xB300;&#xC0AC; &#xC0B0;&#xBB3C; &#xAD6C;&#xC131; (1) H &#xD575; &#xC790;&#xAE30; &#xACF5;&#xBA85; (NMR) &#xBD84;&#xAD11;&#xD559; &#xBC0F; &#xC9C1;&#xC811; &#xBD84;&#xC11D;&#xC744; &#xC0AC;&#xC6A9; &#xD558; &#xC5EC; &#xC2E4;&#xC2DC;&#xAC04;&#xC73C;&#xB85C; (&#xB2E4;&#xD2B8;) &#xC9C8;&#xB7C9; &#xBD84;&#xC11D; (MS)&#xC5D0; &#xD0D0;&#xD5D8; &#xD588;&#xB2E4;. &#xB370;&#xC774;&#xD130; &#xAC1C;&#xBCC4; &#xB3D9;&#xBB3C; &#xD574;&#xACB0; &#xB420; &#xC218; &#xC788;&#xB294; &#xADF8;&#xB4E4;&#xC758; &#xD608; &#xCCAD;&#xC758; &#xB300;&#xC0AC; &#xC0B0;&#xBB3C; &#xAD6C;&#xC131;&#xC5D0; &#xAE30;&#xBC18; &#xD558; &#xACE0; &#xB450; &#xAC74;&#xAC15; &#xD558;&#xC9C0; &#xBABB;&#xD55C; &#xAC1C;&#xC778; &#xB098;&#xBA38;&#xC9C0; &#xAC74;&#xAC15; &#xD55C; &#xB3D9;&#xBB3C;&#xC5D0;&#xC11C; &#xCC28;&#xBCC4; &#xB420; &#xC218; &#xC2A4;&#xD399;&#xD2B8;&#xB7FC;&#xC758; &#xC8FC;&#xC694; &#xAD6C;&#xC131; &#xC694;&#xC18C; &#xBD84;&#xC11D; (PCA). &#xAC74;&#xAC15; &#xD558; &#xACE0; &#xAC74;&#xAC15; &#xD558;&#xC9C0; &#xBABB;&#xD55C; &#xAC1C;&#xC778;&#xC758; &#xC8FC;&#xC694; &#xCC28;&#xC774; homarine, &#xC5EC;&#xAE30;&#xC774; &#xB300;&#xC0AC; &#xC0B0;&#xBB3C; &#xC0C1;&#xD0DC;&#xAC00;&#xC774; &#xC885;&#xC5D0;&#xC11C;&#xC758; &#xC720;&#xC6A9;&#xD55C; biomarker&#xB97C; &#xB420; &#xC218; &#xC788;&#xC2B5;&#xB2C8;&#xB2E4; &#xC81C;&#xC548; &#xD558;&#xB294; &#xAC74;&#xAC15;&#xC5D0; &#xD574;&#xB85C;&#xC6B4; &#xACE0;&#xB798; &#xC0C1;&#xC5B4;&#xC758; &#xC2E4;&#xC9C8;&#xC801;&#xC73C;&#xB85C; &#xB0AE;&#xC740; &#xB18D;&#xB3C4;&#xC5D0;&#xC11C; &#xC874;&#xC7AC; &#xD558;&#xB294; elasmobranch&#xC5D0;&#xC11C; &#xCC98;&#xC74C;&#xC73C;&#xB85C; &#xBCF4;&#xACE0; &#xC9D1;&#xC911;. &#xC0C1;&#xC5B4;&#xC5D0;&#xC11C; homarine &#xD568;&#xC218;&#xB294; &#xBD88;&#xD655; &#xC2E4;&#xD55C; &#xB0A8;&#xC544; &#xC788;&#xB2E4; &#xD558;&#xC9C0;&#xB9CC; &#xADF8;&#xAC83;&#xC744; &#xAC00;&#xB2A5;&#xC131;&#xC774; osmolyte&#xB85C; &#xC11C; &#xC911;&#xC694; &#xD55C; &#xC5ED;&#xD560;&#xC744; &#xD55C;&#xB2E4;. Trimethylamine &#xC0B0;&#xD654;&#xBB3C; (TMAO) 0.1-0.3&#xC5D0; elasmobranchs&#xC758; &#xB610; &#xB2E4;&#xB978; &#xC798; &#xC54C;&#xB824;&#xC9C4; &#xBCF4;&#xD638; osmolyte &#xC874;&#xC7AC; &#xBAB0; L(-1) &#xB610;&#xD55C; NMR &#xBC0F; &#xC591; 20-3 &#xCD94;&#xAC00; &#xC7A0;&#xC7AC;&#xC801;&#xC778; &#xC0DD;&#xCCB4; &#xAE30;&#xBC18;&#xC73C;&#xB85C; &#xAC74;&#xAC15; &#xD558; &#xACE0; &#xAC74;&#xAC15;&#xC5D0; &#xD574;&#xB85C;&#xC6B4; &#xB3D9;&#xBB3C;&#xC5D0;&#xC11C; &#xC0D8;&#xD50C; &#xC0AC;&#xC774; &#xADF8;&#xB4E4;&#xC758; &#xBC1C;&#xC0DD; &#xBE48;&#xB3C4;&#xC5D0; &#xD070; &#xCC28;&#xC774;&#xAC00; &#xBC1C;&#xACAC; &#xD588;&#xB2E4; &#xBAA8;&#xB450;&#xB97C; &#xC0AC;&#xC6A9; &#xD558; &#xC5EC; &#xD655;&#xC778;, &#xB2E4;&#xD2B8; &#xC591; &#xC804;&#xCCB4;&#xB85C; &#xAC10;&#xC9C0; NMR&#xACFC; MS &#xC81C;&#xACF5; &#xADF8; metabolomics&#xB294; &#xC0C1;&#xD638; &#xBCF4;&#xC644;&#xC801;&#xC778; &#xB370;&#xC774;&#xD130;&#xB294; biomarker elasmobranchs &#xCC98;&#xB7FC; &#xC81C;&#xB300;&#xB85C; &#xACF5;&#xBD80; &#xC885;&#xC5D0; &#xC2DC; &#xAD74;&#xC5D0; &#xB300; &#xD55C; &#xC720;&#xC6A9;&#xD55C; &#xC811;&#xADFC;.

&#xACE0;&#xB798; &#xC0C1;&#xC5B4; &#xAC74;&#xAC15;&#xC758; &#xC0DD;&#xCCB4;: metabolomic &#xC811;&#xADFC;&#xBC95;.

Cystic fibrosis related diabetes (CFRD) is an important complication of cystic fibrosis (CF) because it causes acceleration in the decline in lung function. Monitoring concentrations of key metabolites such as glucose in airway lining fluid is necessary for improving our understanding of the biochemical mechanisms linking diabetes and CF. Targeted-metabolomic strategies for glucose quantitation in exhaled breath condensate (EBC) from healthy individuals are presented.

Ion mobility and liquid chromatography/mass spectrometry strategies for exhaled breath condensate glucose quantitation in cystic fibrosis studies.

We report a route to synthesize a wide range of organophosphates of biological significance in a deep eutectic solvent (2:1 urea and choline chloride), utilizing various orthophosphate sources. Heating an organic alcohol in the solvent along with a soluble phosphorus source yields phosphorus esters of choline as well as that of the added organic in yields between 15 to 99 %. In addition, phosphite analogs of biological phosphates and peptides were also formed by the simple mixing of reagents and heating at 60-70 °C in the deep eutectic solvent. The presented dehydration reactions are relevant to prebiotic and green chemistry in alternative solvents.

Article	Year
Barium and strontium leaching from aged glass particle/resin matrix dental composites. Dental materials : official publication of the Academy of Dental Materials\| PubMed ID: 15681013	2005
Organic overlayer model of a dental composite analyzed by laser desorption postionization mass spectrometry and photoemission. Journal of biomedical materials research. Part A\| PubMed ID: 16345090	2006
7.87 eV laser desorption postionization mass spectrometry of adsorbed and covalently bound bisphenol A diglycidyl methacrylate. Journal of the American Society for Mass Spectrometry\| PubMed ID: 17449273	2007
Serum biomarker profiling by solid-phase extraction with particle-embedded micro tips and matrix-assisted laser desorption/ionization mass spectrometry. Rapid communications in mass spectrometry : RCM\| PubMed ID: 18320548	2008
Ovarian cancer detection from metabolomic liquid chromatography/mass spectrometry data by support vector machines. BMC bioinformatics\| PubMed ID: 19698113	2009
Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting. Journal of the American Society for Mass Spectrometry\| PubMed ID: 19819164	2010
Rapid mass spectrometric metabolic profiling of blood sera detects ovarian cancer with high accuracy. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology\| PubMed ID: 20699376	2010
Biomarkers of whale shark health: a metabolomic approach. PloS one\| PubMed ID: 23166652	2012
Ion mobility and liquid chromatography/mass spectrometry strategies for exhaled breath condensate glucose quantitation in cystic fibrosis studies. Rapid communications in mass spectrometry : RCM\| PubMed ID: 24019192	2013
Prebiotic Phosphate Ester Syntheses in a Deep Eutectic Solvent. Journal of molecular evolution\| PubMed ID: 24368625	2013

Manshui Zhou

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