Rh(III)-Catalyzed C-H Allylation of Aromatic Ketoximes with Vinylaziridines.

The Rh(III)-catalyzed reaction of aromatic ketoximes with 2-vinylaziridines affords ortho-allylation products of the phenyl rings of aromatic ketoximes in moderate to excellent yields. The reaction requires 0.5 equiv of NaOAc as a base and occurs under mild conditions. The protocol exhibits ortho-monoallylation selectivity, wide scope of substrates, and good compatibility of functional groups.

A longitudinal resource for population neuroscience of school-age children and adolescents in China.

During the past decade, cognitive neuroscience has been calling for population diversity to address the challenge of validity and generalizability, ushering in a new era of population neuroscience. The developing Chinese Color Nest Project (devCCNP, 2013-2022), the first ten-year stage of the lifespan CCNP (2013-2032), is a two-stages project focusing on brain-mind development. The project aims to create and share a large-scale, longitudinal and multimodal dataset of typically developing children and adolescents (ages 6.0-17.9 at enrolment) in the Chinese population. The devCCNP houses not only phenotypes measured by demographic, biophysical, psychological and behavioural, cognitive, affective, and ocular-tracking assessments but also neurotypes measured with magnetic resonance imaging (MRI) of brain morphometry, resting-state function, naturalistic viewing function and diffusion structure. This Data Descriptor introduces the first data release of devCCNP including a total of 864 visits from 479 participants. Herein, we provided details of the experimental design, sampling strategies, and technical validation of the devCCNP resource. We demonstrate and discuss the potential of a multicohort longitudinal design to depict normative brain growth curves from the perspective of developmental population neuroscience. The devCCNP resource is shared as part of the "Chinese Data-sharing Warehouse for In-vivo Imaging Brain" in the Chinese Color Nest Project (CCNP) - Lifespan Brain-Mind Development Data Community ( https://ccnp.scidb.cn ) at the Science Data Bank.

A type-specific nested PCR assay established and applied for investigation of HBV genotype and subgenotype in Chinese patients with chronic HBV infection.

BACKGROUND: Many studies have suggested that hepatitis B virus (HBV) genotypes show not only geographical distribution and race specificity, but also are associated with disease progression and response to interferon treatment. The objective of this study was to develop a nested polymerase chain reaction (nPCR) assay for genotypes A-D and subgenotypes B1, B2, C1 and C2 of hepatitis B virus (HBV) and to investigate the distribution characteristics of HBV genotypes/subgenotype in China. METHODS: After redesigning the primers and optimizing the reaction conditions using common Taq polymerase, the sensitivity, specificity and reproducibility of the method were evaluated using plasmids and serum samples. In total, 642 serum samples from patients with chronic HBV infection were applied to investigate the distribution of HBV genotype and subgenotype in China. RESULTS: The genotype and subgenotype could be identified when the HBV DNA load of a sample was ≥10(2.3) IU/mL. For the 639 successfully genotyped samples, the sequencing results of 130 randomly selected samples (20.3%, 130/639) were consistent with those of the nPCR method. The present study showed that HBV genotype B (11.2%, 72/642), C (68.2%, 438/642) and D (7.2%, 46/642) were circulating in China, while genotype C was the dominant strain except for western region where genotype D was the prevalent strain. The main subgenotypes of genotypes B and C were B2 (87.5%, 63/72) and C2 (92.9%, 407/438), respectively. CONCLUSIONS: The low-cost nPCR method would be a useful tool for clinical and epidemiological investigation in the regions where genotypes A-D are predominant.

Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II).

In the title compound, [Zn(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))(H(2)O)], the Zn(II) cation is coordinated by two 4-chloro-2-salicylate anions, one 1,10-phenanthroline ligand and one water mol-ecule in a square-pyramidal coordination geometry; the Zn cation lies 0.4591 (11) Šfrom the basal plane. The benzene rings of the anions are involved in π-π stacking. The centroid-centroid distance between parallel benzene rings of adjacent mol-ecules is 3.9017 (17) Å, and the centroid-centroid distance between benzene and pyridine rings of adjacent mol-ecules is 3.584 (2) Å. Intra-molecular O-H⋯O hydrogen bonding is present.

Increased systemic RNA oxidative damage and diagnostic value of RNA oxidative metabolites during Shigella flexneri-induced intestinal infection.

BACKGROUND: Shigella flexneri (S. flexneri) is a major pathogen causing acute intestinal infection, but the systematic oxidative damage incurred during the course of infection has not been investigated. AIM: To investigate the incurred systemic RNA oxidative damage and the diagnostic value of RNA oxidative metabolites during S. flexneri-induced intestinal infection. METHODS: In this study, a Sprague-Dawley rat model of acute intestinal infection was established by oral gavage with S. flexneri strains. The changes in white blood cells (WBCs) and cytokine levels in blood and the inflammatory response in the colon were investigated. We also detected the RNA and DNA oxidation in urine and tissues. RESULTS: S. flexneri infection induced an increase in WBCs, C-reactive protein, interleukin (IL)-6, IL-10, IL-1ß, IL-4, IL-17a, IL-10, and tumor necrosis factor α (TNF-α) in blood. Of note, a significant increase in urinary 8-oxo-7,8-dihydroguanosine (8-oxo-Gsn), an important marker of total RNA oxidation, was detected after intestinal infection (P = 0.03). The urinary 8-oxo-Gsn level returned to the baseline level after recovery from infection. In addition, the results of a correlation analysis showed that urinary 8-oxo-Gsn was positively correlated with the WBC count and the cytokines IL-6, TNF-α, IL-10, IL-1ß, and IL-17α. Further detection of the oxidation in different tissues showed that S. flexneri infection induced RNA oxidative damage in the colon, ileum, liver, spleen, and brain. CONCLUSION: Acute infection induced by S. flexneri causes increased RNA oxidative damage in various tissues (liver, spleen, and brain) and an increase of 8-oxo-Gsn, a urinary metabolite. Urinary 8-oxo-Gsn may be useful as a biomarker for evaluating the severity and prognosis of infection.

Systemic RNA oxidation can be used as a biomarker of infection in challenged with Vibrio parahaemolyticus.

More and more evidence support the concept that RNA oxidation plays a substantial role in the progress of multiple diseases; however, only a few studies have reported RNA oxidation caused by microbial pathogens. Urinary 8-oxo-7,8-dihydroguanosine (8-oxo-Gsn) and 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxo-dGsn), which are broadly used as indicators of oxidative damage of RNA and DNA, were analyzed in this study to determine which can be used as a biomarker of infection in challenged with Vibrio parahaemolyticus (V. parahaemolyticus). In this work, 24 specific-pathogen-free (SPF) male SD rats were randomly divided into two groups: an infection group and a phosphate-buffered saline (PBS) control group. Our results proved that 8-oxo-Gsn rather than 8-oxo-dGsn was significantly increased after challenged with V. parahaemolyticus in urine and tissue samples of SD rats compared with the PBS control group. Simultaneously, white blood cells (WBCs) counts, intestinal inflammation and inflammatory factors (including CRP, IL-6, IL-1ß, TNF-α, IL-10, and IL-17A) were also increased sharply. Which has more clinical value is that the trend of urinary 8-oxo-Gsn was consistent with WBCs, intestinal inflammation and all kinds of inflammatory factors. More importantly is that urinary 8-oxo-Gsn of infection group was positively correlated with WBCs and various inflammatory cytokines. In a word, our results demonstrated that as a systemic RNA oxidation biomarker, we hope 8-oxo-Gsn can be used as a biomarker of the severity of microbial pathogens infection, rather than a specific biomarker of microbial pathogens infection.

Poly[[tris-(µ(3)-2-oxidopyridinium-3-carboxyl-ato)manganese(II)sodium(I)] monohydrate].

In the crystal structure of the title compound, {[MnNa(C(6)H(4)NO(3))(3)]·H(2)O}(n), the Mn(II) cation is located on a threefold rotation axis and is chelated by three 2-oxidopyridinium-3-carboxyl-ate (opc) anions in an octa-hedal coordination. The Na(I) cation is located on a threefold rotation axis and is surrounded by six O atoms from three opc anions. The opc anions link the Mn and Na cations, forming a three-dimensional polymeric structure. The uncoordinated water mol-ecule, located on a threefold rotation axis, is equally disordered over two sites. The three-dimensional network is consolidated by N-H⋯O hydrogen bonds.

Bis(µ-4-chloro-2-oxidobenzoato)bis-[(1,10-phenanthroline)copper(II)] dihydrate.

The structure of the the title compound, [Cu(2)(C(7)H(3)ClO(3))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of a dimeric unit involving a planar Cu(2)O(2) group arranged around an inversion center. The coordination sphere of the Cu(II) atom can be described as an elongated distorted square pyramid where the basal plane is formed by the two N atoms of the 1,10-phenanthroline mol-ecule and the two O atoms of the hydroxy-chloro-benzoate (hcbe) anion. The long apical Cu-O distance of 2.569 (2) Šinvolves the O atom of a symmetry-related hcbe anion, building up the dinuclear unit. Each dinuclear unit is connected through O-H⋯O hydrogen bonds involving two water mol-ecules, resulting in an R(4) (2)(8) graph-set motif and building up an infinite chain parallel to (10). C-H⋯O inter-actions further stabilize the chain.

catena-Poly[[diaqua-bis-(isoquinoline-κN)cobalt(II)]-µ-succinato-κO:O].

In the title compound, [Co(C(4)H(4)O(4))(C(9)H(7)N)(2)(H(2)O)(2)](n), the Co(II) cation, located on an inversion center, is coordinated by two succinate anions, two isoquinoline ligands and two water mol-ecules in a distorted octa-hedral geometry. The succinate anion, located across another inversion center, bridges the Co cations, forming polymeric chains running along the b axis. The partially overlapped arrangement of parallel isoquinoline ring systems of adjacent polymeric chains and the shorter face-to-face distance of 3.402 (6) Šindicates the existence of weak π-π stacking in the crystal structure. Classical intra- and inter-molecular O-H⋯O hydrogen bonding and weak non-classical inter-molecular C-H⋯O hydrogen bonding help to stabilize the crystal structure.

Dichloridobis(isoquinoline-κN)zinc(II).

In the title compound, [ZnCl(2)(C(9)H(7)N)(2)], the Zn(II) cation is coordinated by two Cl(-) anions and two isoquinoline ligands in a distorted ZnCl(2)N(2) tetra-hedral geometry; the two isoquinoline ring systems are twisted with respect to each other at a dihedral angle of 45.72 (8)°. The parallel isoqiunoline ring systems of adjacent mol-ecules are partially overlapped, with the shorter face-to-face distance of 3.438 (19) Šindicating the existence of weak π-π stacking in the crystal structure.

Bis(µ-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate.

In the crystal structure of the title compound, [Pb(2)(C(4)H(5)NO(4))(2)(C(6)H(6)N(4)S(2))(2)]·4H(2)O, the dinuclear Pb(II) complex mol-ecule is centrosymmetric. The Pb atom is chelated by a tridentate imino-diacetate anion (IDA) and a diamino-bithia-zole (DABT) ligand, while a carboxyl-ate O atom from an adjacent IDA anion further bridges the Pb atom with a longer Pb-O bond [2.892 (3) Å]. The lone-pair electrons of the Pb atom occupy an axial site in the Ψ-penta-gonal-bipyramidal coordination polyhedron. The IDA anion displays a facial configuration: its chelating five-membered rings assume an envelope configuration. Within the DABT ligand, the two thia-zole rings are twisted relative to each other, making a dihedral angle of 9.51 (17)°. Extensive N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonding helps to stabilize the crystal structure.

Bis(µ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Šbetween two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

Tetra-kis(µ(2)-phenyl-acetato-κO:O')bis-[(isoquinoline-κN)copper(II)].

In the title centrosymmetric binuclear Cu(II) complex, [Cu(2)(C(8)H(7)O(2))(4)(C(9)H(7)N)(2)], the two Cu cations are bridged by four carboxyl-ate groups of the phenyl-acetate anions; each Cu cation is further coordinated by an isoquinoline ligand to complete the distorted CuO(4)N square-pyramidal geometry. The Cu cation is displaced by 0.2092 (8) Šfrom the basal plane formed by the four O atoms. Within the dinuclear mol-ecule, the Cu⋯Cu separation is 2.6453 (6) Å. Although a parallel, overlapped arrangement of isoquinoline ligands exists in the crystal structure; the longer face-to-face distance of 3.667 (5) Šsuggests there is no π-π stacking between isoquinoline ring systems.

Poly[octa-µ-aqua-tetra-aqua-bis(µ-5-sul-fon-atobenzene-1,3-dicarboxyl-ato)cobalt(II)tetra-sodium].

The title compound, [CoNa(4)(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), is a three-dimensional coordination polymer bridged by sulfoisophthalate trianions and water mol-ecules. The Co(II) atom, located on an inversion centre, is coordinated by two carboxyl-ate groups of the sulfoisophthalate trianions and by four water mol-ecules in a distorted CoO(6) octa-hedral geometry. Two independent Na(I) atoms also have a distorted octa-hedral coordination geometry formed by water, carboxyl-ate O and sulfonate O atoms. An extensive O-H⋯O and C-H⋯O hydrogen-bonding network is present in the crystal structure, as well as weak π-π stacking [centroid-centroid distance = 3.9553 (11) Å].

Poly[octa-µ-aqua-tetra-aqua-bis(µ(4)-5-sulfonatobenzene-1,3-dicarboxyl-ato)nickel(II)tetra-sodium].

In the crystal structure of the title compound, [Na(4)Ni(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), the Ni(II) cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol-ecules in a distorted octa-hedral geometry. Two independent Na(I) atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol-ecules in a distorted octa-hedral geometry. The sulfoisophthalate ligands and coordinated water mol-ecules bridge the Ni(II) and Na(I) cations, forming a three-dimensional polymeric structure. Weak π-π stacking is present between parallel benzene rings [centroid-centroid distance = 3.9349 (10) Å]. Extensive O-H⋯O and C-H⋯O hydrogen bonding helps to stabilize the crystal structure.

Hexakis(1H-imidazole-κN)cobalt(II) triaqua-tris(1H-imidazole-κN)cobalt(II) bis-(naphthalene-1,4-dicarboxyl-ate).

The asymmetric unit of the title compound, [Co(C(3)H(4)N(2))(6)][Co(C(3)H(4)N(2))(3)(H(2)O)(3)](C(12)H(6)O(4))(2), contains two halves of crystallographically independent Co(II) complex cations, each assuming a distorted octa-hedral geometry, and one uncoordinated naphthalene-1,4-dicarboxyl-ate dianion. One Co(II) cation is located on an inversion center and is coordinated by six imidazole mol-ecules, while the other Co(II) cation is located on a twofold rotation axis and is coordinated by three water and three imidazole mol-ecules. The uncoordinated naphthalene-1,4-dicarboxyl-ate dianion links both Co(II) complex cations via O-H⋯O and N-H⋯O hydrogen bonding. One imidazole ligand is equally disordered over two sites about a twofold rotation axis, while the coordinated N atom of the imidazole is located on the twofold rotation axis. One water O atom has site symmetry 2.

Poly[bis-(µ(2)-pyrimidine-2-carboxyl-ato-κO,N:O',N')calcium].

In the crystal structure of the title polymeric complex, [Ca(C(5)H(3)N(2)O(2))(2)](n), the Ca(II) cation has site symmetry m2 and is N,O-chelated by four pyrimidine-2-carboxyl-ate anions in a square-anti-prismatic geometry. The planar pyrimidine-2-carboxyl-ate anion is located on a crystallographic special position, three C atoms have site symmetry 2mm, while the carboxyl O atom, the pyrimidine N atom and the other C atom have site symmetry m. Each pyrimidine-2--carboxyl-ate anion bridges two Ca(II) cations, forming polymeric sheets extending parallel to (001). π-π stacking exists between parallel pyrimidine rings [centroid-centroid distance = 3.6436 (6) Å] of adjacent polymeric sheets. Weak C-H⋯O hydrogen bonding is also observed between these sheets.

Aqua-(2,2'-bipyridine)bis-(4-hydroxy-benzoato)zinc(II).

In the title complex, [Zn(C(7)H(5)O(3))(2)(C(10)H(8)N(2))(H(2)O)], the Zn(II) ion is coordinated by two 4-hydroxy-benzoate anions, one 2,2'-bipyridine mol-ecule and one water mol-ecule and displays a distorted octa-hedral geometry. One Zn-O bond [2.5300 (15) Å] is much longer than the others in the mol-ecule. In the crystal structure, the face-to-face separation of 3.547 (9) Šsuggests no π-π stacking between parallel bipyridine ring systems, and an extensive O-H⋯O hydrogen-bonding network between the coordinated water molecule, the phenol group and carboxylate O atoms is present.

Tetra-µ(2)-acetato-κO:O'-bis-[(isoquinoline-κN)copper(II)].

In the crystal structure of the title compound, [Cu(2)(CH(3)COO)(4)(C(9)H(7)N)(2)], the Cu(II) cation is coordinated by four acetate anions and one isoquinoline mol-ecule in a distorted square-pyramidal geometry; the Cu(II) cation is 0.1681 (6) Šfrom the basal coordination plane formed by the four O atoms. Each acetate anion bridges two Cu(II) cations to form the centrosymmetric dinuclear complex. Within the dinuclear mol-ecule, the Cu⋯Cu separation is 2.6459 (4) Å. A parallel arrangement of isoquinoline ligands of adjacent complexes is observed in the crystal structure; the face-to-face distance of 3.610 (10) Šsuggests there is no π-π stacking between isoquinoline ring systems.

Bis(3-hydroxy-pyridine-κN)bis-(3-nitro-benzoato-κO)zinc(II).

The title complex, [Zn(C(7)H(4)NO(4))(2)(C(5)H(5)NO)(2)], has site symmetry 2. The Zn(II) ion is located on a crystallographic twofold rotation axis and assumes a distorted tetra-hedral ZnN(2)O(2) coordination geometry. Mol-ecules are linked by an inter-molecular O-H⋯O hydrogen bond and π-π stacking inter-actions between pyridine rings [centroid-centroid speparation 3.594 (1) Å].