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Article ; Online: Beam Energy Dependence of Triton Production and Yield Ratio (N_{t}×N_{p}/N_{d}^{2}) in Au+Au Collisions at RHIC.

Abdulhamid, M I / Aboona, B E / Adam, J / Adams, J R / Agakishiev, G / Aggarwal, I / Aggarwal, M M / Ahammed, Z / Aitbaev, A / Alekseev, I / Anderson, D M / Aparin, A / Aslam, S / Atchison, J / Averichev, G S / Bairathi, V / Baker, W / Ball Cap, J G / Barish, K /

Bhagat, P / Bhasin, A / Bhatta, S / Bordyuzhin, I G / Brandenburg, J D / Brandin, A V / Cai, X Z / Caines, H / Calderón de la Barca Sánchez, M / Cebra, D / Ceska, J / Chakaberia, I / Chan, B K / Chang, Z / Chatterjee, A / Chen, D / Chen, J / Chen, J H / Chen, Z / Cheng, J / Cheng, Y / Choudhury, S / Christie, W / Chu, X / Crawford, H J / Dale-Gau, G / Das, A / Daugherity, M / Dedovich, T G / Deppner, I M / Derevschikov, A A / Dhamija, A / Di Carlo, L / Didenko, L / Dixit, P / Dong, X / Drachenberg, J L / Duckworth, E / Dunlop, J C / Engelage, J / Eppley, G / Esumi, S / Evdokimov, O / Ewigleben, A / Eyser, O / Fatemi, R / Fazio, S / Feng, C J / Feng, Y / Finch, E / Fisyak, Y / Flor, F A / Fu, C / Geurts, F / Ghimire, N / Gibson, A / Gopal, K / Gou, X / Grosnick, D / Gupta, A / Hamed, A / Han, Y / Harasty, M D / Harris, J W / Harrison-Smith, H / He, W / He, X H / He, Y / Hu, C / Hu, Q / Hu, Y / Huang, H / Huang, H Z / Huang, S L / Huang, T / Huang, X / Huang, Y / Humanic, T J / Isenhower, D / Isshiki, M / Jacobs, W W / Jalotra, A / Jena, C / Ji, Y / Jia, J / Jin, C / Ju, X / Judd, E G / Kabana, S / Kabir, M L / Kalinkin, D / Kang, K / Kapukchyan, D / Kauder, K / Ke, H W / Keane, D / Kechechyan, A / Kelsey, M / Kimelman, B / Kiselev, A / Knospe, A G / Ko, H S / Kochenda, L / Korobitsin, A A / Kravtsov, P / Kumar, L / Kumar, S / Kunnawalkam Elayavalli, R / Lacey, R / Landgraf, J M / Lebedev, A / Lednicky, R / Lee, J H / Leung, Y H / Lewis, N / Li, C / Li, W / Li, X / Li, Y / Li, Z / Liang, X / Liang, Y / Lin, T / Liu, C / Liu, F / Liu, H / Liu, L / Liu, T / Liu, X / Liu, Y / Liu, Z / Ljubicic, T / Llope, W J / Lomicky, O / Longacre, R S / Loyd, E M / Lu, T / Lukow, N S / Luo, X F / Luong, V B / Ma, L / Ma, R / Ma, Y G / Magdy, N / Mallick, D / Margetis, S / Matis, H S / Mazer, J A / McNamara, G / Mi, K / Minaev, N G / Mohanty, B / Mondal, M M / Mooney, I / Morozov, D A / Mudrokh, A / Nagy, M I / Nain, A S / Nam, J D / Nasim, Md / Neff, D / Nelson, J M / Nemes, D B / Nie, M / Nigmatkulov, G / Niida, T / Nishitani, R / Nogach, L V / Nonaka, T / Odyniec, G / Ogawa, A / Oh, S / Okorokov, V A / Okubo, K / Page, B S / Pak, R / Pan, J / Pandav, A / Pandey, A K / Panebratsev, Y / Pani, T / Parfenov, P / Paul, A / Perkins, C / Pokhrel, B R / Posik, M / Protzman, T / Pruthi, N K / Putschke, J / Qin, Z / Qiu, H / Quintero, A / Racz, C / Radhakrishnan, S K / Raha, N / Ray, R L / Ritter, H G / Robertson, C W / Rogachevsky, O V / Rosales Aguilar, M A / Roy, D / Ruan, L / Sahoo, A K / Sahoo, N R / Sako, H / Salur, S / Samigullin, E / Sato, S / Schmidke, W B / Schmitz, N / Seger, J / Seto, R / Seyboth, P / Shah, N / Shahaliev, E / Shanmuganathan, P V / Shao, T / Sharma, M / Sharma, N / Sharma, R / Sharma, S R / Sheikh, A I / Shen, D Y / Shen, K / Shi, S S / Shi, Y / Shou, Q Y / Si, F / Singh, J / Singha, S / Sinha, P / Skoby, M J / Söhngen, Y / Song, Y / Srivastava, B / Stanislaus, T D S / Stewart, D J / Strikhanov, M / Stringfellow, B / Su, Y / Sun, C / Sun, X / Sun, Y / Surrow, B / Svirida, D N / Sweger, Z W / Tamis, A / Tang, A H / Tang, Z / Taranenko, A / Tarnowsky, T / Thomas, J H / Tlusty, D / Todoroki, T / Tokarev, M V / Tomkiel, C A / Trentalange, S / Tribble, R E / Tribedy, P / Tsai, O D / Tsang, C Y / Tu, Z / Ullrich, T / Underwood, D G / Upsal, I / Van Buren, G / Vasiliev, A N / Verkest, V / Videbæk, F / Vokal, S / Voloshin, S A / Wang, F / Wang, G / Wang, J S / Wang, X / Wang, Y / Wang, Z / Webb, J C / Weidenkaff, P C / Westfall, G D / Wieman, H / Wilks, G / Wissink, S W / Wu, J / Wu, X / Wu, Y / Xi, B / Xiao, Z G / Xie, G / Xie, W / Xu, H / Xu, N / Xu, Q H / Xu, Y / Xu, Z / Yan, G / Yan, Z / Yang, C / Yang, Q / Yang, S / Yang, Y / Ye, Z / Yi, L / Yip, K / Yu, N / Yu, Y / Zha, W / Zhang, C / Zhang, D / Zhang, J / Zhang, S / Zhang, X / Zhang, Y / Zhang, Z J / Zhang, Z / Zhao, F / Zhao, J / Zhao, M / Zhou, C / Zhou, J / Zhou, S / Zhou, Y / Zhu, X / Zurek, M / Zyzak, M

Physical review letters

2023 Volume 130, Issue 20, Page(s) 202301

Abstract: ... at the Relativistic Heavy Ion Collider. The nuclear compound yield ratio (N_{t}×N_{p}/N_{d}^{2}), which is predicted ...

Abstract	We report the triton (t) production in midrapidity (\|y\|<0.5) Au+Au collisions at sqrt[s_{NN}]=7.7-200 GeV measured by the STAR experiment from the first phase of the beam energy scan at the Relativistic Heavy Ion Collider. The nuclear compound yield ratio (N_{t}×N_{p}/N_{d}^{2}), which is predicted to be sensitive to the fluctuation of local neutron density, is observed to decrease monotonically with increasing charged-particle multiplicity (dN_{ch}/dη) and follows a scaling behavior. The dN_{ch}/dη dependence of the yield ratio is compared to calculations from coalescence and thermal models. Enhancements in the yield ratios relative to the coalescence baseline are observed in the 0%-10% most central collisions at 19.6 and 27 GeV, with a significance of 2.3σ and 3.4σ, respectively, giving a combined significance of 4.1σ. The enhancements are not observed in peripheral collisions or model calculations without critical fluctuation, and decreases with a smaller p_{T} acceptance. The physics implications of these results on the QCD phase structure and the production mechanism of light nuclei in heavy-ion collisions are discussed.
Language	English
Publishing date	2023-06-01
Publishing country	United States
Document type	Journal Article
ZDB-ID	208853-8
ISSN	1079-7114 ; 0031-9007
ISSN (online)	1079-7114
ISSN	0031-9007
DOI	10.1103/PhysRevLett.130.202301
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Article: The development of a comprehensive toolbox based on multi-level, high-throughput screening of MOFs for CO/N

Rampal, Nakul / Ajenifuja, Abdulmalik / Tao, Andi / Balzer, Christopher / Cummings, Matthew S / Evans, Arwyn / Bueno-Perez, Rocio / Law, David J / Bolton, Leslie W / Petit, Camille / Siperstein, Flor / Attfield, Martin P / Jobson, Megan / Moghadam, Peyman Z / Fairen-Jimenez, David

Chemical science

2021 Volume 12, Issue 36, Page(s) 12068–12081

Abstract: The separation of CO/N ...

Abstract	The separation of CO/N
Language	English
Publishing date	2021-08-11
Publishing country	England
Document type	Journal Article
ZDB-ID	2559110-1
ISSN	2041-6539 ; 2041-6520
ISSN (online)	2041-6539
ISSN	2041-6520
DOI	10.1039/d1sc01588e
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Article ; Online: Molecular orbital and topological electron density study of n → π* interactions: amides and thioamides cases.

Briceño-Vargas, Flor María / Quesadas-Rojas, Mariana / Mirón-López, Gumersindo / Cáceres-Castillo, David / Carballo, Rubén M / Mena-Rejón, Gonzalo J / Quijano-Quiñones, Ramiro F

RSC advances

2023 Volume 13, Issue 45, Page(s) 31321–31329

Abstract: The n → π* interactions were studied in amides and thioamides systems models, through the analysis ... in the strength of n → π* interactions. The IGM results indicate that δ ...

Abstract	The n → π* interactions were studied in amides and thioamides systems models, through the analysis of the electron density topology along with the Natural Bonding Orbital (NBO) approach. The effect of the dispersion terms was assessed using different DFT functionals. The NBO, independent gradient model (IGM), and the analysis of the reduced density gradient outcomes show that dispersion forces play a significant role in the strength of n → π* interactions. The IGM results indicate that δ
Language	English
Publishing date	2023-10-26
Publishing country	England
Document type	Journal Article
ISSN	2046-2069
ISSN (online)	2046-2069
DOI	10.1039/d3ra06038a
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Article: Polycyclic Aromatic N-Heterocycles (PANHs) from Naphthyl and Anthracenyl Amines and Diols

Gonzalez-Sanchis, Nerea / Perez-Quilez, Paula / Bellezza, Delia / Flor-Sanchez, Anna / Ballesteros, Rafael / Ballesteros-Garrido, Rafael

Synthesis

2022 Volume 54, Issue 23, Page(s) e7–e7

Language	English
Publishing date	2022-09-06
Publisher	Georg Thieme Verlag KG
Publishing place	Stuttgart ; New York
Document type	Article
ZDB-ID	2033062-5
ISSN	1437-210X ; 0039-7881
ISSN (online)	1437-210X
ISSN	0039-7881
DOI	10.1055/s-0041-1738611
Database	Thieme publisher's database

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Article: Polycyclic Aromatic N-Heterocycles (PANHs) from Naphthyl and Anthracenyl Amines and Diols

Gonzalez-Sanchis, Nerea / Perez-Quilez, Paula / Bellezza, Delia / Flor-Sanchez, Anna / Ballesteros, Rafael / Ballesteros-Garrido, Rafael

Synthesis

2022 Volume 54, Issue 23, Page(s) 5226–5232

Abstract: Nitrogen-containing polyaromatic compounds have been prepared in one step by combining diols and anthracenyl or naphthyl amines via acceptorless dehydrogenative condensation with ZnO and Pt/Al 2 O 3 as heterogeneous catalysts. ...

Abstract	Nitrogen-containing polyaromatic compounds have been prepared in one step by combining diols and anthracenyl or naphthyl amines via acceptorless dehydrogenative condensation with ZnO and Pt/Al 2 O 3 as heterogeneous catalysts.
Keywords	acceptorless dehydrogenative condensation ; amines ; diols ; heterocycles ; heterogeneous catalysis ; polyaromatics
Language	English
Publishing date	2022-06-07
Publisher	Georg Thieme Verlag KG
Publishing place	Stuttgart ; New York
Document type	Article
ZDB-ID	2033062-5
ISSN	1437-210X ; 0039-7881
ISSN (online)	1437-210X
ISSN	0039-7881
DOI	10.1055/a-1870-2631
Database	Thieme publisher's database

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Article ; Online: Aberrant functional network connectivity in psychopathy from a large (N = 985) forensic sample.

Espinoza, Flor A / Vergara, Victor M / Reyes, Daisy / Anderson, Nathaniel E / Harenski, Carla L / Decety, Jean / Rachakonda, Srinivas / Damaraju, Eswar / Rashid, Barnaly / Miller, Robyn L / Koenigs, Michael / Kosson, David S / Harenski, Keith / Kiehl, Kent A / Calhoun, Vince D

Human brain mapping

2018 Volume 39, Issue 6, Page(s) 2624–2634

Abstract: Psychopathy is a personality disorder characterized by antisocial behavior, lack of remorse and empathy, and impaired decision making. The disproportionate amount of crime committed by psychopaths has severe emotional and economic impacts on society. ... ...

Abstract	Psychopathy is a personality disorder characterized by antisocial behavior, lack of remorse and empathy, and impaired decision making. The disproportionate amount of crime committed by psychopaths has severe emotional and economic impacts on society. Here we examine the neural correlates associated with psychopathy to improve early assessment and perhaps inform treatments for this condition. Previous resting-state functional magnetic resonance imaging (fMRI) studies in psychopathy have primarily focused on regions of interest. This study examines whole-brain functional connectivity and its association to psychopathic traits. Psychopathy was hypothesized to be characterized by aberrant functional network connectivity (FNC) in several limbic/paralimbic networks. Group-independent component and regression analyses were applied to a data set of resting-state fMRI from 985 incarcerated adult males. We identified resting-state networks (RSNs), estimated FNC between RSNs, and tested their association to psychopathy factors and total summary scores (Factor 1, interpersonal/affective; Factor 2, lifestyle/antisocial). Factor 1 scores showed both increased and reduced functional connectivity between RSNs from seven brain domains (sensorimotor, cerebellar, visual, salience, default mode, executive control, and attentional). Consistent with hypotheses, RSNs from the paralimbic system-insula, anterior and posterior cingulate cortex, amygdala, orbital frontal cortex, and superior temporal gyrus-were related to Factor 1 scores. No significant FNC associations were found with Factor 2 and total PCL-R scores. In summary, results suggest that the affective and interpersonal symptoms of psychopathy (Factor 1) are associated with aberrant connectivity in multiple brain networks, including paralimbic regions.
MeSH term(s)	Adolescent ; Adult ; Antisocial Personality Disorder/diagnostic imaging ; Antisocial Personality Disorder/pathology ; Brain/diagnostic imaging ; Brain/pathology ; Brain/physiopathology ; Brain Mapping ; Criminals/psychology ; Female ; Humans ; Image Processing, Computer-Assisted ; Magnetic Resonance Imaging ; Male ; Middle Aged ; Neural Pathways/diagnostic imaging ; Oxygen/blood ; Principal Component Analysis ; Severity of Illness Index ; Young Adult
Chemical Substances	Oxygen (S88TT14065)
Language	English
Publishing date	2018-03-02
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	1197207-5
ISSN	1097-0193 ; 1065-9471
ISSN (online)	1097-0193
ISSN	1065-9471
DOI	10.1002/hbm.24028
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Article ; Online: Fluorescence quenching of the N-methylquinolinium cation by pairs of water or alcohol molecules.

Rodríguez-Prieto, Flor / Corbelle, Carlos Costa / Fernández, Berta / Pedro, Jorge A / Ríos Rodríguez, M Carmen / Mosquera, Manuel

Physical chemistry chemical physics : PCCP

2017 Volume 20, Issue 1, Page(s) 307–316

Abstract: N-Methylquinolinium cation (MQ+) in its first-excited singlet state is a strong oxidant commonly ...

Abstract	N-Methylquinolinium cation (MQ+) in its first-excited singlet state is a strong oxidant commonly used as a photosensitizer, whose fluorescence is therefore quenched by electron donors. Interestingly, the fluorescence of MQ+ is also quenched by hydroxy compounds such as water and alcohols, more difficult to oxidize. We investigated the quenching mechanism of MQ+ fluorescence by small amounts of water and alcohols in acetonitrile solution. The fluorescence intensities and lifetimes exhibited a nonlinear dependence on the quencher concentration. We found evidence that emissive exciplexes MQ+*-ROH are formed between the excited quinolinium and the hydroxy compounds. An accurate quantitative description of the results was obtained with a model in which the exciplex reacts with a second molecule of the hydroxy compound, which quenches the fluorescence. The rate constant of this process increased as the quencher ionization energy decreased. We showed also that a low basicity of the hydroxy compound inhibits the quenching process. These results are consistent with the existence of a concerted photoinduced proton-coupled electron transfer (PCET) involving an intermediate complex of the excited quinolinium with a H-bonded molecular pair of the hydroxy compounds. In these pairs, a water or an alcohol molecule is able to donate an electron to the photoexcited quinolinium cation and a proton to the second H-bonded hydroxy molecule, showing an enhanced reducing power in comparison with the isolated molecule. The structure of the intermediate complex was investigated using high-level quantum mechanical calculations. At high water concentrations in acetonitrile/water mixtures, the quenching process is slowed down, indicating that higher water aggregates are less effective for a PCET process. The results obtained may be relevant to the study of water oxidation and electron transfer in biological systems.
Language	English
Publishing date	2017-12-20
Publishing country	England
Document type	Journal Article
ZDB-ID	1476244-4
ISSN	1463-9084 ; 1463-9076
ISSN (online)	1463-9084
ISSN	1463-9076
DOI	10.1039/c7cp07057h
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Article ; Online: Effects of N-acetylaspartylglutamate (NAAG) at group II mGluRs and NMDAR.

Fricker, Anne-Cécile / Mok, M H Selina / de la Flor, Raúl / Shah, Ajit J / Woolley, Marie / Dawson, Lee A / Kew, James N C

Neuropharmacology

2009 Volume 56, Issue 6-7, Page(s) 1060–1067

Abstract: ... A., Andreev, B.V., Avedisova, A.S., Bardenstein, L.M., Gurovich, I.Y., Morozova, M.A., Mosolov, S.N., Neznanov ... N.G., Reznik, A.M., Smulevich, A.B., Tochilov, V.A., Johnson, B.G., Monn, J.A., Schoepp, D.D., 2007 ... Nature Med 13, 1102-1107]. The endogenous neuropeptide N-acetylaspartylglutamate (NAAG) has been ...

Abstract	A group II metabotropic glutamate receptor (mGluR) agonist was recently reported to be clinically efficacious against symptoms of schizophrenia [Patil, S.T., Zhang, L., Martenyi, F., Lowe, S.L., Jackson, K.A., Andreev, B.V., Avedisova, A.S., Bardenstein, L.M., Gurovich, I.Y., Morozova, M.A., Mosolov, S.N., Neznanov, N.G., Reznik, A.M., Smulevich, A.B., Tochilov, V.A., Johnson, B.G., Monn, J.A., Schoepp, D.D., 2007. Activation of mGlu2/3 receptors as a new approach to treat schizophrenia: a randomized phase 2 clinical trial. Nature Med 13, 1102-1107]. The endogenous neuropeptide N-acetylaspartylglutamate (NAAG) has been described as an agonist at mGluR2 and mGluR3 [Wroblewska, B., Wroblewski, J.T., Pshenichkin, S., Surin, A., Sullivan, S.E., Neale, J.H., 1997. N-acetylaspartylglutamate selectively activates mGluR3 receptors in transfected cells. J. Neurochem. 69, 174-181; Cartmell, J., Adam, G., Chaboz, S., Henningsen, R., Kemp, J.A., Klingelschmidt, A., Metzler, V., Monsma, F., Schaffhauser, H., Wichmann, J., Mutel, V., 1998. Characterization of [3H]-(2S,2'R,3'R)-2-(2',3'-dicarboxy-cyclopropyl)glycine ([3H]-DCG IV) binding to metabotropic mGlu2 receptor-transfected cell membranes. Br. J. Pharmacol. 123, 497-504] and is degraded by the enzyme glutamate carboxypeptidase II (also known as N-acetyl-alpha-linked acidic dipeptidase or NAALADase). Hence, elevating the concentration of endogenous NAAG by inhibition of NAALADase represents a potential strategy for the treatment of schizophrenia via group II mGluR activation. We therefore investigated the activity of NAAG at both rat native and human recombinant mGluRs. We found that NAAG had no effect on synaptic transmission at the medial perforant pathway inputs to the rat dentate gyrus which is known to be sensitive to group II mGluR activation. We proceeded to examine the effects of NAAG at human recombinant mGluR2 and mGluR3 in a cellular G protein-activated K+ channel electrophysiology assay. Furthermore, due to discrepancies in the literature concerning the activity of NAAG at the N-methyl-d-aspartate receptor [NMDAR; Westbrook, G.L., Mayer, M.L., Namboodiri, M.A., Neale, J.H., 1986. High concentrations of N-acetylaspartylglutamate (NAAG) selectively activate NMDA receptors on mouse spinal cord neurons in cell culture. J. Neurosci. 6, 3385-3392; Losi, G., Vicini, S., Neale, J., 2004. NAAG fails to antagonize synaptic and extrasynaptic NMDA receptors in cerebellar granule neurons. Neuropharmacology 46, 490-496], we also tested NAAG at NMDARs in rat hippocampal neurons in culture. We found that a purified NAAG preparation had no effect at mGluR2, mGluR3 or NMDAR. Taken together, these findings do not support a rationale for targeting NAALADase and increasing extracellular NAAG levels as a therapeutic strategy for the treatment of schizophrenia.
MeSH term(s)	Animals ; Cell Line ; Dipeptides/pharmacology ; Dipeptides/physiology ; Excitatory Postsynaptic Potentials ; G Protein-Coupled Inwardly-Rectifying Potassium Channels/physiology ; Hippocampus/cytology ; Hippocampus/physiology ; Humans ; In Vitro Techniques ; Neurons/physiology ; Patch-Clamp Techniques ; Rats ; Rats, Sprague-Dawley ; Receptors, Metabotropic Glutamate/physiology ; Receptors, N-Methyl-D-Aspartate/physiology ; Synaptic Transmission
Chemical Substances	Dipeptides ; G Protein-Coupled Inwardly-Rectifying Potassium Channels ; Receptors, Metabotropic Glutamate ; Receptors, N-Methyl-D-Aspartate ; metabotropic glutamate receptor 2 ; metabotropic glutamate receptor 3 ; isospaglumic acid (1W8M12WXYL)
Language	English
Publishing date	2009-05
Publishing country	England
Document type	Journal Article
ZDB-ID	218272-5
ISSN	1873-7064 ; 0028-3908
ISSN (online)	1873-7064
ISSN	0028-3908
DOI	10.1016/j.neuropharm.2009.03.002
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Article ; Online: Encefalitis límbica anti-NMDAR (receptor de N-methy-D-aspartate) diagnosticada mediante ¹⁸F-FDG PET/TAC.

Garcia, J R / Saura, J / Flor, A / Soler, M / Moragas, M / Lorenzo-Bosquet, C

Revista espanola de medicina nuclear e imagen molecular

2015 Volume 34, Issue 2, Page(s) 143–145

Title translation	Anti-NMDAR (N-methy-D-aspartate receptor) limbic encephalitis diagnosed by ¹⁸F-FDG PET/CT.
MeSH term(s)	Adult ; Anti-N-Methyl-D-Aspartate Receptor Encephalitis/cerebrospinal fluid ; Anti-N-Methyl-D-Aspartate Receptor Encephalitis/diagnostic imaging ; Anti-N-Methyl-D-Aspartate Receptor Encephalitis/etiology ; Autoantibodies/cerebrospinal fluid ; Autoantibodies/immunology ; Autoantigens/immunology ; Diagnosis, Differential ; Female ; Fluorine Radioisotopes ; Fluorodeoxyglucose F18 ; Humans ; Limbic Encephalitis/diagnostic imaging ; Magnetic Resonance Imaging ; Neoplasms, Unknown Primary/diagnostic imaging ; Positron Emission Tomography Computed Tomography ; Radiopharmaceuticals ; Receptors, N-Methyl-D-Aspartate/immunology
Chemical Substances	Autoantibodies ; Autoantigens ; Fluorine Radioisotopes ; Radiopharmaceuticals ; Receptors, N-Methyl-D-Aspartate ; Fluorodeoxyglucose F18 (0Z5B2CJX4D)
Language	Spanish
Publishing date	2015-03
Publishing country	Spain
Document type	Case Reports ; Journal Article
ZDB-ID	2911865-7
ISSN	2253-8070 ; 2253-654X
ISSN (online)	2253-8070
ISSN	2253-654X
DOI	10.1016/j.remn.2014.06.001
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Article: Screening Metal–Organic Frameworks for Dynamic CO/N₂ Separation Using Complementary Adsorption Measurement Techniques

Evans, Arwyn D / Cummings, Matthew S / Luebke, Ryan / Brown, Martyn S / Favero, Silvia / Attfield, Martin P / Siperstein, Flor / Fairen-Jimenez, David / Hellgardt, Klaus / Purves, Russell / Law, David / Petit, Camille

Industrial & engineering chemistry process design and development. 2019 Sept. 11, v. 58, no. 39

2019

Abstract: Carbon monoxide (CO)/nitrogen (N₂) separation is a particularly challenging separation, yet it is ... streams with a significant N₂ content. Taking advantage of the lower energy requirement of adsorption ... separation. We have screened a range of MOF candidates for CO/N₂ separation covering a range of chemical and ...

Abstract	Carbon monoxide (CO)/nitrogen (N₂) separation is a particularly challenging separation, yet it is the one with great industrial relevance for its use in petrochemical synthesis. Although an expensive cryogenic step can be used to perform such separation, it remains ineffective in purifying CO from syngas streams with a significant N₂ content. Taking advantage of the lower energy requirement of adsorption processes, we have explored the use of metal–organic frameworks (MOFs) as adsorbents for this difficult separation. We have screened a range of MOF candidates for CO/N₂ separation covering a range of chemical and textural features, using the flux response technology to evaluate their dynamic performance for throughput testing alongside equilibrium uptake measurements. We have identified Ni-MOF-74 and Co-MOF-74 as the most promising candidates because of their high metal density and strong metal–CO interactions. We have investigated further the effect of N₂ impurity concentrations upon CO/N₂ separation using breakthrough adsorption testing and cyclic testing (up to 20 cycles). Overall, using multiple adsorption measurement techniques, this study demonstrates the CO/N₂ dynamic separation performance of M-MOF-74 and its ability to be applied for an industrially relevant separation.
Keywords	adsorbents ; adsorption ; carbon monoxide ; coordination polymers ; energy ; process design ; screening ; synthesis gas ; texture
Language	English
Dates of publication	2019-0911
Size	p. 18336-18344.
Publishing place	American Chemical Society
Document type	Article
ZDB-ID	1484436-9
ISSN	1520-5045 ; 0888-5885
ISSN (online)	1520-5045
ISSN	0888-5885
DOI	10.1021/acs.iecr.9b03724
Database	NAL-Catalogue (AGRICOLA)

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