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1. Identifying active vascular microcalcification by (18)F-sodium fluoride positron emission tomography 2015

   https://ncsu.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwpV3va9QwGA5uQ_CLzB_odB4RFJSjXJukTQpjMMbKJsc5sJOxL6Vp022c94PeDrn_3jdJ0xanMPFLaMO19PqUN0-S531ehD74SsSyCEJPSkU9pgWEeQVEjrCclGUhYyrUb4s5qcuF-aOKffTf0EIfgKtTZf8B3vam0AHHADK0ADO0DwLaptradKXcRK9hKy-dabkdoGCEdxZqubHeTB9JnHirRXm7ng2rH-tFfVuqoZFw1fArXQVOr6MBNZ31Ta0bGjsxdqBaj95ll7Tk_KyeWo3y0bUub-m6v6tmj0rn1HTa7LH6aW0OjLp-2DLrb1O1XNrv6YuqddLLpL9CAbib1U87wJhIRnwWeMCUaD_s9sMmZ7bSZjMEu9N74d2auc_1v1uJ9pq-h_bka5ZcjMdZenKZbqEdwmMRGkHnebvypj3xBWPOq5aKUXfDv88zDN9Id9HTZqKAjyzgz9AjNX-OHtvSoZsXaNqDHVvYsYMd34cdyw3-FIjPiXdwc2hRxw71g9HNIXbIY4c87pB_iS6Sk_T41GsKZ3jLgER3HlVVGOYxozyXhCrlk4JWUZDTvGQCJphRWAFL9AtaUp9UwDgLmDQLYOJAp2WsAvoaYRbrHW6_UDzXJpFSxpFipc9YARSei3APvXdvKoMH09tM-Vwt1qssiIC1cw5Dxx56ZV9htrTWKRnRBJpy8eYBV79FT7qvaR9t39Vr9Q5t66AwQFv8kg_QzunxWXI1MPhCex5e_QIX0WfH

   Irkle, Agnese; Vesey, Alex T; Lewis, David Y; Skepper, Jeremy N...

   Nature Communications, Vol. 6, p. 7495.

   Vascular calcification is a complex biological process that is a hallmark of atherosclerosis. While macrocalcification confers plaque stability, microcalcification is a key feature of high-risk ath... Read more

   Vascular calcification is a complex biological process that is a hallmark of atherosclerosis. While macrocalcification confers plaque stability, microcalcification is a key feature of high-risk atheroma and is associated with increased morbidity and mortality. Positron emission tomography and X-ray computed tomography (PET/CT) imaging of atherosclerosis using (18)F-sodium fluoride ((18)F-NaF) has the potential to identify pathologically high-risk nascent microcalcification. However, the precise molecular mechanism of (18)F-NaF vascular uptake is still unknown. Here we use electron microscopy, autoradiography, histology and preclinical and clinical PET/CT to analyse (18)F-NaF binding. We show that (18)F-NaF adsorbs to calcified deposits within plaque with high affinity and is selective and specific. (18)F-NaF PET/CT imaging can distinguish between areas of macro- and microcalcification. This is the only currently available clinical imaging platform that can non-invasively detect microcalcification in active unstable atherosclerosis. The use of (18)F-NaF may foster new approaches to developing treatments for vascular calcification. Read less

   Journal Article  |  Full Text Online

2. [18F]‐Sodium Fluoride PET/MR Imaging for Bone–Cartilage Interactions in Hip Osteoarthritis: A... 2019

   https://ncsu.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwjV1LS8NAEF5EL15EUTQ-yioevMQ2m9euiFBLQxWq4uMkErKbLY20SWntoZ76EwT_YX-Js5s0WkTwFsjmwczszje7M98gdFyTlHFhuSbn0jYdlUAYdQDIEScicSw4s6lc3Mz5bvWV80OUG25qZuj1Wk3wiI-Kc31Sfc2Gp-CZHMXzqWICVUtydVOuwb6lu6qC_aoUW8-bcwr9fHLRE_2Cl7-zJEv0Sgr3E6yjtQI34nqu6A20JNNN9P5s0eBlNv047148ZHEy7uOgN86GSSzPq90LfNd8rLbv8VVftyLCgE_xZZbK2fSzoSymB2sJ1luCeXXDCCcpbiUDfAuqz2BEVzMeneE6BqRY5NFOsEo9nGyhp6D52GiZRTMFU4CPtk3uxtyikcsBQECMwnxCpSVcIijxPc4AN3BPQMRKASBFHhM1FkHQLTjggVh0AMjsIOwwdepZE9KPFHEg58yTTlxzHPgEOD3XQEdziYaDnCwjzGmRSQhiD7XYDXQ4l3UIpqzOJ6JUZuNRSAj8l-NTmxpoO5d9-RpbVeQBVDGQv6CVcoCiyV68kyZdTZftQUjpe8xAJ1p_f_9ZeH17ry92_z90D60ChGJ5gss-Wn4bjuUBWlb1FxW0Ug-Cu3ZFm-YXEvvn-g

   Tibrewala, Radhika; Bahroos, Emma; Mehrabian, Hatef; Foreman, Sarah C....

   Journal Of Orthopaedic Research, Vol. 37, Issue 12, pp. 2671 - 2680.

   ABSTRACT This study characterized the distribution of [18F]‐sodium fluoride (NaF) uptake and blood flow in the femur and acetabulum in hip osteoarthritis (OA) patients to find associations between ... Read more

   ABSTRACT This study characterized the distribution of [18F]‐sodium fluoride (NaF) uptake and blood flow in the femur and acetabulum in hip osteoarthritis (OA) patients to find associations between bone remodeling and cartilage composition in the presence of morphological abnormalities using simultaneous positron emission tomography and magnetic resonance imaging (PET/MR), quantitative magnetic resonance imaging (MRI) and femur shape modeling. Ten patients underwent a [18F]‐NaF PET/MR dynamic scan of the hip simultaneously with: (i) fast spin‐echo CUBE for morphology grading and (ii) T1ρ/T2 magnetization‐prepared angle‐modulated partitioned k‐space spoiled gradient echo snapshots for cartilage, bone segmentation, bone shape modeling, and T1ρ/T2 quantification. The standardized uptake values (SUVs) and Patlak kinetic parameter (Kpat) were calculated for each patient as PET outcomes, using an automated post‐processing pipeline. Shape modeling was performed to extract the variations in bone shapes in the patients. Pearson's correlation coefficients were used to study the associations between bone shapes, PET outcomes, and patient reported pain. Direct associations between quantitative MR and PET evidence of bone remodeling were established in the acetabulum and femur. Associations of shaft thickness with SUV in the femur (p = 0.07) and Kpat in the acetabulum (p = 0.02), cam deformity with acetabular score (p = 0.09), osteophytic growth on the femur head with Kpat (p = 0.01) were observed. Pain had increased correlations with SUV in the acetabulum (p = 0.14) and femur (p = 0.09) when shaft thickness was accounted for. This study demonstrated the ability of [18F]‐NaF PET‐MRI, 3D shape modeling, and quantitative MRI to investigate cartilage‐bone interactions and bone shape features in hip OA, providing potential investigative tools to diagnose OA. © 2019 The Authors. Journal of Orthopaedic Research® published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society J Orthop Res 37:2671–2680, 2019 Read less

   Journal Article  |  Full Text Online

3. Investigations of the reaction mechanism of sodium with hydrogen fluoride to form sodium fluoride... 2024

   https://ncsu.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwpV3di9QwEA-696Av4he6ekoF39Z6bZpuWzgO5FCOReSURfCpNE3WLVzbo7tF7v7Oe_V_cSZN0v2w4OFLWTLTpDC_TWYm80HIW0_GCc_90OVcBi7DAMJsAYocZRkVIudJEMsdZ85vkwvz1yj2o_8WLYyBcDFV9hbitZPCAPwGIcMTxAzPfxL0RqUMHdOmogalbgJeSsztxVYYQFnVomjLzvm6vBJNDbNOFhdt3RRC9dBAFdZw2XETZJmJVd1cWhVz730Y3321xJwJqeM05RojwZoBfbg0jXq77jzmSFVNwxAIX4vqlyzsmPZzzwDe5QavdYCfZYX7re4JnwtNOJfVT_dHu-nuoMxESO-4OydD1cBwEweV0KVJVwbqvdTuTha7odflNpudX98IFb0BvnegdDEkK9CUsIQyxVjHmPrudX982qBGWwBaMafAnCrm9PouOaBREocjcvDl_PtstuEEBH1a3XTZb9aJXSq9c2_VbeVpzyLavs0PtJI0f0geaGk6HzqUPiJ3ZPWY3Ds1TQWfkJtttDr1wgFkOQatjkUrUo6XJx2ejo-WJw6C1jGgQ5oBmaKuawex27_jbJEBf2qhHsK4wOBsdTU0kQZ0N6EG9FMy__Rxfnrm6sYibg7WytrlgSc9MHxCQeFECoQIMx5hWSXqBUko4NijIuDcZyG6C8AI8nkAKl4c5SGXfBE8Jw5LMADAy2WUYQ1NzpOpZMJjLAcLJ4rDMZkYSaWXXd2YdBggY3JohJnqrWWVUtBDkqk_ZcmYvLFkkBde6WWVrFvFQ0OwaQJvTJ51ILDLKV9MwuBT3hlU9JMPf8uL27G_JPf7v-khGa2bVr4iI9y6X2u4_wFlX-1u

   Yu, Qinwei; Yang, Jianming; Zhang, Hai-Rong; Liang, Peng-Yu; Gao, Ge...

   Journal Of Molecular Modeling, Vol. 30, Issue 2, p. 26.

   Context The reaction between Na and HF is a typical harpooning reaction which is of great interest due to its significance in understanding the elementary chemical reaction kinetics. This work aims... Read more

   Context The reaction between Na and HF is a typical harpooning reaction which is of great interest due to its significance in understanding the elementary chemical reaction kinetics. This work aims to investigate the detailed reaction mechanisms of sodium with hydrogen fluoride and the adsorption of HF on the resultant NaF as well as the (NaF) 4 tetramer. The results suggest that the reaction between Na and HF leads to the formation of sodium fluoride salt NaF and hydrogen gas. Na interacts with HF to form a complex HF···Na, and then the approaching of F atom of HF to Na results in a transition state H···F···Na. Accompanied by the broken of H-F bond, the bond forms between F and Na atoms as NaF, then the product NaF is yielded due to the removal of H atom. The resultant NaF can further form (NaF) 4 tetramer. The interaction of NaF with HF leads to the complex NaF···HF; the form I as well as II of (NaF) 4 can interact with HF to produce two complexes (i.e., (NaF) 4 (I-1)···HF, (NaF) 4 (I-2)···HF, (NaF) 4 (II-1)···HF and (NaF) 4 (II-2)···HF), but the form III of (NaF) 4 can interact with HF to produce only one complex (NaF) 4 (III)···HF. These complexes were explored in terms of noncovalent interaction (NCI) and quantum theory of atoms in molecules (QTAIM) analyses. NCI analyses confirm the existences of attractive interactions in the complexes HF···Na, NaF···HF, (NaF) 4 (I-1)···HF, (NaF) 4 (I-2)···HF, (NaF) 4 (II-1)···HF and (NaF) 4 (II-2)···HF, and (NaF) 4 (III)···HF. QTAIM analyses suggest that the F···Na interaction forms in the HF···Na complex while the F···H hydrogen bonds form in NaF···HF, (NaF) 4 (I-1)···HF, (NaF) 4 (I-2)···HF, (NaF) 4 (II-1)···HF and (NaF) 4 (II-2)···HF, and (NaF) 4 (III)···HF complexes. Natural bond orbital (NBO) analyses were also applied to analyze the intermolecular donor-acceptor orbital interactions in these complexes. These results would provide valuable insight into the chemical reaction of Na and HF and the adsorption interaction between sodium fluoride salt and HF. Methods The calculations were carried out at the M06-L/6-311++G(2d,2p) level of theory which were performed using the Gaussian16 program. Intrinsic reaction coordinate (IRC) calculations were carried out at the same level of theory to confirm that the obtained transition state was true. The molecular surface electrostatic potential (MSEP) was employed to understand how the complex forms. Quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) analysis was used to know the topology parameters at bond critical points (BCPs) and intermolecular interactions in the complex and intermediate. The topology parameters and the BCP plots were obtained by the Multiwfn software. Read less

   Journal Article  |  Full Text Online

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