Development of a multimodal kidney age prediction based on automatic segmentation CT image in patients with normal renal function.

Background: For decades, description of renal function has been of interest to clinicians and researchers. Serum creatinine (Scr) and estimated glomerular filtration rate (eGFR) are familiar but also limited in many circumstances. Meanwhile, the physiological volumes of the kidney cortex and medulla are presumed to change with age and have been proven to change with decreasing kidney function. Methods: We recruited 182 patients with normal Scr levels between October 2021 and February 2022 in Peking Union Medical College Hospital (PUMCH) with demographic and clinical data. A 3D U-Net architecture is used for both cortex and medullary separation, and volume calculation. In addition, we included patients with the same inclusion criteria but with diabetes (PUMCH-DM test set) and diabetic nephropathy (PUMCH-DN test set) for internal comparison to verify the possible clinical value of "kidney age" (K-AGE). Results: The PUMCH training set included 146 participants with a mean age of 47.5 ± 7.4 years and mean Scr 63.5 ± 12.3 µmol/L. The PUMCH test set included 36 participants with a mean age of 47.1 ± 7.9 years and mean Scr 66.9 ± 13.0 µmol/L. The multimodal method predicted K-AGE approximately close to the patient's actual physiological age, with 92% prediction within the 95% confidential interval. The mean absolute error increases with disease progression (PUMCH 5.00, PUMCH-DM 6.99, PUMCH-DN 9.32). Conclusion: We established a machine learning model for predicting the K-AGE, which offered the possibility of evaluating the whole kidney health in normal kidney aging and in disease conditions.

Isostructural metal-anion radical coordination polymers with tunable phosphorescent colors (deep blue, blue, yellow, and white) induced by terminal anions and metal cations.

Five phosphorescent metal-anion radical coordination polymers based on a new anion radical ligand generated by in situ deprotonation of a stable zwitterionic radical are described. The N,O,N-tripodal anion radical ligand links metal cations, which leads to five isostructural coordination polymers, [M(3)(bipo(-.))(4)(L)(2)](n) (M=Cd or Mn, Hbipo(-.)=2,3'-biimidazo[1,2-a]pyridin-2'-one, L=Cl(-), HCOO(-) or SCN(-)). The isostructural coordination polymers exhibit novel one-dimensional spirocycle-like structures. Three isostructural Cd(II) coordination polymers display unusual phosphorescent color changes (blue, yellow, and white) induced by terminal anions. Significantly, the Cd(II) coordination polymer with terminal Cl(-) possesses moderate quantum yield, and shows a bright white-light phosphorescence emission, which is independent of excitation wavelength and can even be excited by visible light. Upon adjusting the metal cation to Mn(II), two isostructural Mn(II) coordination polymers reveal deep-blue-light phosphorescence emissions that are independent of terminal anions. As radical-based coordination polymers, some of them show antiferromagnetic interactions between radical species or radical and metal center.

Stacking-induced diamagnetic/paramagnetic conversion of imidazo[1,2-a]pyridin-2(3 H)-one derivatives: near-infrared absorption and magnetic properties in the solid state.

Herein, we present three imidazo[1,2-a]pyridin-2(3 H)-one derivatives that are diamagnetic in solution, but paramagnetic in the solid state, possibly owing to a stacking-induced formation of phenoxide-type radicals. Notably, a larger bathochromic shift of the absorption (even up to the near- infrared region) of these three compounds was observed in the solid state than in solution, which was attributable to the ordered columnar stacking arrangements or their single-electron character as radicals in the solid state. Interestingly, compared to that in solution, (E)-3-(pyridin-4'-ylmethylene)imidazo[1,2-a]pyridine 2(3 H)-one displayed a largely red-shifted emission (centered at 660 nm, with tailing above 800 nm) in the solid state. A larger bathochromic shift (260 nm) of the emission is an indication of better order and tight stacking in the solid state, which is brought about by the rigid and polar acceptor. These three compounds also reveal different magnetic susceptibilities at 300 K, thus implying that they possess various columnar stacking structures. Most interestingly, these three radicals exhibit unusual ferromagnetic-to-antiferromagnetic phase transitions, which can be attributed to anisotropic contraction and non-uniform slippage of the columnar stacking chains.

Direct arylation of unactivated aromatic C-H bonds catalyzed by a stable organic radical.

A stable zwitterionic radical can catalyze direct arylation of unactivated aromatic C-H bonds via a chain homolytic aromatic substitution mechanism in the presence of potassium tert-butoxide.

New metal-anion radical framework materials: Co(II) compounds showing ferromagnetic to antiferromagnetic phase transition at about 344 K, and Zn(II) compounds exhibiting terminal anion ligand induced direct white-light-emission.

The preparation, X-ray crystallography, EPR, magnetic and luminescent investigation of new metal-anion radical framework materials based on a new anion radical ligand generated by in situ deprotonation of a stable zwitterionic radical are described herein. N,O,N-tripodal anion radical ligand (bipo(-)˙) links metal cations, giving rise to four isostructural one-dimensional metal-organic frameworks, [M(bipo(-)˙)(L)](n) [M = Zn, L = HCOO(-) (1), SCN(-) (1a), N(3)(-) (1b); M = Co, L = Br(-) (3)]. The tripodal bipo(-)˙ ligand and one co-ligand, 1,4-benzenedicarboxylate, coordinate to metals leading to two isostructural two-dimensional metal-organic frameworks, [M(bipo(-)˙)(BDC)(0.5)](n) [M = Zn (2) and Co (4)]. The two Co(II) compounds are the first examples that exhibit unusual ferromagnetic to antiferromagnetic phase transition with transition temperature over room temperature, which can be demonstrated by the cooling and warming measurements of susceptibility. Compound 4 also exhibits long-range magnetic ordering with the critical temperature at about 44 K proved by ac susceptibility measurements. The metal-radical frameworks exhibit distinctly different fluorescence emissions. Especially, the isomorphous one-dimensional Zn(II) compounds show interesting terminal anion ligand-induced photoluminescent color changes, including direct and invariable white-light-emission with terminal SCN(-) ligand.