catena-Poly[[bis­(4-methyl­benzoato-κ2 O:O′)lead(II)]-μ-nicotinamide-κ2 N 1:O]

In the title compound, [Pb(C8H7O2)2(C6H6N2O)]n, the PbII ion is coordinated by two 4-methyl­benzoate (PMB) and one nicotinamide (NA) ligands while symmetry-related NA ligands bridge adjacent PbII ions, forming polymeric chains along the c axis. The carboxyl­ate groups in the two PMB ions are twisted away from the attached benzene ring by 22.9 (2) and 4.6 (2)°. The two benzene rings of the PMB ions are oriented at a dihedral angle of 83.7 (1)°. In a polymeric chain, the NA ligands are linked to PMB ions through intra­molecular N—H⋯O hydrogen bonds. In the crystal structure, adjacent polymeric chains inter­act via N—H⋯O and C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane

Tetra­kis(μ-4-methyl­benzoato-κ2 O:O′)bis­[(N,N-diethyl­nicotinamide-κN 1)zinc(II)]

In the centrosymmetric binuclear title complex, [Zn2(C8H7O2)4(C10H14N2O)2], the Zn atoms [Zn⋯Zn′ = 2.9494 (3) Å] are bridged by four 4-methyl­benzoate (PMB) anions. The four nearest O atoms around each ZnII ion form a distorted square-planar arrangement, the octahedral coordin­ation being completed by the pyridine N atom of the N,N-diethyl­nicotinamide (DENA) ligand. Each ZnII ion is displaced by 0.3530 (1) Å from the plane of the four O atoms. The dihedral angles between carboxyl­ate groups and their adjacent benzene rings are 5.88 (10) and 11.89 (9)°, while the benzene rings are oriented at a dihedral angle of 75.19 (4)°. The pyridine ring is oriented at dihedral angles of 38.28 (4) and 49.17 (4)° with respect to the benzene rings. In the crystal structure, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π contacts between parallel benzene rings [centroid–centroid distance = 3.8388 (8) Å] and between parallel pyridine rings [centroid–centroid distance = 3.4855 (7) Å] may further stabilize the crystal structure

Tetra­aqua­bis(nicotinamide-κN 1)nickel(II) bis­(2-fluoro­benzoate)

The asymmetric unit of the title complex, [Ni(C6H6N2O)2(H2O)4](C7H4FO2)2, contains one-half of the complex cation with the NiII atom located on an inversion center, and a 2-fluoro­benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni—O bond length of 2.079 Å, and the slightly distorted octa­hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O—H⋯O, N—H⋯O, C—H⋯O, and C—H⋯F hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the pyridine and benzene rings [centroid–centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro­benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15

Synthesis, Quantum Chemical Calculations and Molecular Docking Studies, Biological and Anion Sensor Properties of (E)-4-[(4-ethoxy-phenylimino)methyl]-2-methoxyphenol

We report the synthesis and characterization, biological activity, DNA binding, colorimetric anion sensor properties, computational (HF) and molecular docking studies of a novel Schiff base (E)-4-[(4-ethoxyphenylimino)methyl]-2-methoxyphenol. The molecular structure of the title compound was experimentally determined using spectroscopic data and was compared to the structure predicted by theoretical calculations using density functional theory (DFT). In addition, atomic charges, molecular electrostatic potential (MEP), nonlinear optical (NLO) effects, the potential energy surface (PES) scans about two important torsion angles and thermodynamic properties of the title compound were predicted using DFT. The antimicrobial activity of the compound was investigated for minimum inhibitory concentration. UV-Vis spectroscopy studies of the interactions between the compound and calf thymus DNA (CT-DNA) showed that the compound interacts with CT-DNA via intercalative binding. The colorimetric response of the Schiff base receptors in DMSO was investigated. The most discernable color change in the Schiff base was caused by CN−, which demonstrated that the ligand can be used to selectively detect CN−. This work is licensed under a Creative Commons Attribution 4.0 International License

Damage Control Surgery

Objective: The basis of damage control surgery rests on quick control of life-threatening bleeding, injuries, and septic sources in the appropriate patients before restoring their physiological reserves as a first step followed by ensuring of the physiological reserves and control of acidosis, coagulopathy, and hypothermia prior to complementary surgery

2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate

The title benzimidazole mol­ecule, C8H8N4O2·2H2O, is planar with a maximum deviation of 0.079 (2) Å (for one of the O atoms in the nitro group). It crystallized as a dihydrate and inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the uncoordinated water mol­ecules, and the nitro and amine groups, respectively. In the crystal, N—H⋯O, O—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules to form a three-dimensional network. A π–π contact between the benzene rings, [centroid–centroid distance = 3.588 (1) Å] may further stabilize the crystal structure

Tetra­kis(μ-4-methyl­benzoato-κ2 O:O′)bis­[(isonicotinamide-κN)copper(II)]

In the title centrosymmetric binuclear complex, [Cu2(C8H7O2)4(C6H6N2O)2], the Cu atoms [Cu⋯Cu = 2.6375 (6) Å] are bridged by four 4-methyl­benzoate (PMB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, and the distorted square-pyramidal coordination is completed by the pyridine N atom of the isonicotinamide (INA) ligand. Each CuII ion is displaced by 0.2633 (1) Å from the plane of the four O atoms, with an average Cu—O distance of 1.974 (2) Å. The dihedral angles between carboxyl­ate groups and the adjacent benzene rings are 7.88 (19) and 9.68 (10)°, while the benzene rings are oriented at a dihedral angle of 85.90 (9)°. The pyridine ring is oriented at dihedral angles of 8.59 (7) and 83.89 (9)° with respect to the benzene rings. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π contacts between the benzene rings and between the pyridine and benzene rings, [centroid–centroid distances = 3.563 (2) and 3.484 (2) Å, respectively] may further stabilize the crystal structure

Diaqua­bis­(4-meth­oxy­benzoato-κO 1)bis­(nicotinamide-κN 1)cobalt(II) dihydrate

In the mononuclear title compound, [Co(C8H7O3)2(C6H6N2O)2(H2O)2]·2H2O, the CoII ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-meth­oxy­benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol­ecule. All ligands act in a monodentate mode. The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 6.47 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. An O—H⋯O hydrogen bond links the uncoordinated water mol­ecule to one of the carboxyl­ate groups. In the crystal structure, inter­molecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network

Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN 1)manganese(II)

In the mononuclear title complex, [Mn(C8H7O2)2(C6H6N2O)2(H2O)2], the MnII ion is located on a crystallographic inversion center. The asymmetric unit contains one 4-methyl­benzoate anion, one nicotinamide (NA) ligand and one coordinated water mol­ecule. The four O atoms in the equatorial plane around the MnII ion form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 9.01 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 42.44 (5)°. In the crystal structure, inter­molecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, and O—H⋯π and C—H⋯π inter­actions link the mol­ecules into a two-dimensional network parallel to (001)

ACUTE EFFECTS OF SYNTHETIC CANNABINOIDS ON VENTRICULAR REPOLARIZATION

Objective: The usage of synthetic cannabinoids (SCs) has increased both in Turkey and all worldwide. Here, we evaluate if SCs cause ventricular repolarization abnormalities using initial and after 12th-hour electrocardiograms in patients with acute intoxication of SCs. We examined changes in the QTc and cTp-e parameters to demonstrate ventricular repolarization effects of the usage of SCs. Material and Methods: We used a prospective study design. Twenty patients were included who visited the emergency department, complaining of clouding of consciousness after using SCs. The QT, QTc and Tp-e intervals and several other electrocardiographic parameters were measured at baseline and 12 hours after the usage of SCs. Results: The QRS duration was significantly decreased (102.1±15.5 ms vs 95.0±10.7 ms; p=0.022). We noted a significant decrease in cQT measurements at the end of the 12th hour (426.6±47.2 ms vs 390.4±42.9 ms; p=0.002). Similarly, the Tp-e and cTp-e values decreased significantly when SCs lost its acute effect (93.4±21.1 ms vs 77.4±21.0 ms; p=0.014, 105.3±28.5 ms vs 88.1±21.5 ms; p=0.01). Conclusions: The usage of SCs affects ventricular repolarization heterogeneity based on QTc and Tp-e intervals