Polyphosphonate covalent organic frameworks.

Herein, we report polyphosphonate covalent organic frameworks (COFs) constructed via P-O-P linkages. The materials are synthesized via a single-step condensation reaction of the charge-assisted hydrogen-bonded organic framework, which is constructed from phenylphosphonic acid and 5,10,15,20-tetrakis[p-phenylphosphonic acid]porphyrin and is formed by simply heating its hydrogen-bonded precursor without using chemical reagents. Above 210 °C, it becomes an amorphous microporous polymeric structure due to the oligomerization of P-O-P bonds, which could be shown by constant-time solid-state double-quantum P nuclear magnetic resonance experiments.

New solvated Mo(VI) complexes of isatin based asymmetric bisthiocarbohydrazones as potent bioactive agent: synthesis, DFT-molecular docking studies, biological activity evaluation and crystal structures.

New solvated Mo(VI) complexes were isolated from the reaction of [MoO(acac)] with asymmetric isatin bisthiocarbohydrazone ligands. The ligands were obtained from the reaction of isatin monothiocarbohydrazone with 3,5-dibromo salicylaldehyde (L1), 3,5-dichloro salicylaldehyde (L2) and 3-chloro-5-bromo salicylaldehyde (L3), respectively. In the complexes, the ligands serve as ONS donors and coordinate to the [MoO] nucleus.

Decoding myasthenia gravis: advanced diagnosis with infrared spectroscopy and machine learning.

Myasthenia Gravis (MG) is a rare neurological disease. Although there are intensive efforts, the underlying mechanism of MG still has not been fully elucidated, and early diagnosis is still a question mark. Diagnostic paraclinical tests are also time-consuming, burden patients financially, and sometimes all test results can be negative.

Template-Directed Selective Photodimerization Reactions of 5-Arylpenta-2,4-dienoic Acids.

We developed an efficient method that enables selective photodimerization of 5-arylpenta-2,4-dienoic acids (i.e., vinylogous cinnamic acids).

Symmetrical and Asymmetrical Thiophene-Coumarin-Based Organic Semiconductors.

Organic semiconductors are a valuable material class for optoelectronic applications due to their electronic and optical properties. Four new symmetric and asymmetric thiophene-coumarin derivatives were designed and synthesized via Pd-catalyzed Suzuki and Stille Cross-Coupling reactions. Single crystals of all synthesized thiophene-coumarin derivatives were obtained, and π···π interactions were observed among them.

Metal-organic frameworks as photocatalysts in energetic and environmental applications.

Metal-organic frameworks (MOFs) are an exciting new class of porous materials with great potential for photocatalytic applications in the environmental and energy sectors. MOFs provide significant advantages over more traditional materials when used as photocatalysts due to their high surface area, adaptable topologies, and functional ability. In this article, we summarize current developments in the use of MOFs as photocatalysts for a variety of applications, such as CO reduction, water splitting, pollutant degradation, and hydrogen production.

A New Family of Layered Metal-Organic Semiconductors: Cu/V-Organophosphonates.

Herein, we report the design and synthesis of a layered redox-active, antiferromagnetic metal organic semiconductor crystals with the chemical formula [Cu(H O) V(µ-O)(PPA) ] (where PPA is phenylphosphonate). The crystal structure of [Cu(H O) V(µ-O)(PPA) ] shows that the metal phosphonate layers are separated by phenyl groups of the phenyl phosphonate linker. Tauc plotting of diffuse reflectance spectra indicates that [Cu(H O) V(µ-O)(PPA) ] has an indirect band gap of 2.

Tetraphenyl-1,4-dioxin and Tetraphenyl-pyrane-4-one: Old Molecules, New Insights.

Aggregation-induced emission (AIE) is a phenomenon where certain molecules or materials become highly luminescent when they aggregate or come together in a condensed state, such as a solid or a solution. Moreover, new molecules which show AIE properties are designed and synthesized for various applications like imaging, sensing, and optoelectronics. 2,3,5,6-Tetraphenylpyrazine (TPP) is one of the well-established examples of AIE.

Bromination of 7-norbornene derivatives revisited: failure of a computational NMR method in elucidating the configuration of an organic structure.

Previously we reported on the bromination of 7-bromonorbornene at different temperatures yielding mixtures of addition products. The structural elucidations of the formed compounds were achieved by NMR spectroscopy. Particularly, the γ-gauche effect and long-range couplings were instrumental in assigning the stereochemistry of the adducts.

Engineering supramolecular helical assemblies interplay between carbon(sp) tetrel and halogen bonding interactions.

Building supramolecular helical structures is a challenge due to difficulties in the design and control of competitive noncovalent forces. Herein, we report three scaffolds (1a, 1b, and 1c) decorated with -CN and -Br groups. These groups known for their ability to form multiple noncovalent interactions and with efficient design can be utilized to achieve such complex structures.

Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and in vitro anticancer activity against colorectal adenocarcinoma.

Phthalonitrile derivatives are generally reported to crystallize in space groups P2/c and P1 in the literature. In this study, 7-hydroxy-4,8-dimethyl-3-pentylcoumarin (2) and its phthalonitrile derivative (2d) were crystallized; 2d crystallized in the rare trigonal space group R3. In the phthalonitrile derivative (2d), weak C-H.

A neural network potential for the IRMOF series and its application for thermal and mechanical behaviors.

Metal-organic frameworks (MOFs) with their exceptional porous and organized structures have been the subject of numerous applications. Predicting the bulk properties from atomistic simulations requires the most accurate force fields, which is still a major problem due to MOFs' hybrid structures governed by covalent, ionic and dispersion forces. Application of molecular dynamics to such large periodic systems is thus beyond the current computational power.

New Pd(II) complexes of the bisthiocarbohydrazones derived from isatin and disubstituted salicylaldehydes: Synthesis, characterization, crystal structures and inhibitory properties against some metabolic enzymes.

Pd(II) complexes (Pd1, Pd2, and Pd3) were synthesized for the first time using asymmetric isatin bisthiocarbohydrazone ligands and PdCl(PPh). All complexes were characterized by a range of spectroscopic and analytical techniques. The molecular structures of Pd1 and Pd3 have been determined by single-crystal X-ray diffraction analysis.

Coordination-Induced Band Gap Reduction in a Metal-Organic Framework.

Herein, we report on the synthesis of a microporous, three-dimensional phosphonate metal-organic framework (MOF) with the composition Cu (H -MTPPA)  ⋅ 2 NMP (H -MTPPA=methane tetra-p-phenylphosphonic acid and NMP=N-methyl-2-pyrrolidone). This MOF, termed TUB1, has a unique one-dimensional inorganic building unit composed of square planar and distorted trigonal bipyramidal copper atoms. It possesses a (calculated) BET surface area of 766.

Template-Directed Photochemical Homodimerization and Heterodimerization Reactions of Cinnamic Acids.

We developed a general method for the selective photochemical homo- and heterodimerization of cinnamic acid derivatives with the use of commercially available 1,8-dihydroxynaphthalene as a covalent template. A variety of symmetrical and unsymmetrical β-truxinic acids were obtained in high yields and as single diastereomers. The use of a template not only provides the alignment of the two olefins with suitable proximity (<4.

The relationship between scoliosis and upper extremity functions in patients with Duchenne muscular dystrophy.

Objectives: The aim of this study was to investigate the relationship between scoliosis and upper extremity functions in patients with Duchenne muscular dystrophy (DMD).

Patients And Methods: Between January 2018 and July 2018, a total of 55 patients (54 males, 1 female; mean age: 9.9±2.

Cu(II) complex with auxin (3-indoleacetic acid) and an aromatic planar ligand: synthesis, crystal structure, biomolecular interactions and radical scavenging activity.

A novel water soluble ternary copper(II) complex,-[Cu(phen)(3-IAA)(HO)](ClO)·HO-(phen: 1,10-phenanthroline, 3-IAA: 3-indoleacetic acid), has been synthesized and characterized by elemental CHN analysis, ESI-TOF, FTIR and single-crystal X-ray diffraction techniques. Interaction of the complex with calf thymus DNA (CT-DNA) has been investigated by absorption spectral titration, ethidium bromide (EB) and Hoechst 33258 displacement assay. The interactions between the complex and bovine serum albumin (BSA) were investigated by electronic absorption and fluorescence spectroscopy methods.

Synthesis, X-ray crystal structure, IR and Raman spectroscopic analysis, quantum chemical computational and molecular docking studies on hydrazone-pyridine compound: As an insight into the inhibitor capacity of main protease of SARS-CoV2.

The characterization and synthesis of 3-chloro-2-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl}pyridine (CCPEHP) was investigated in our study. Mass and UV-visible spectra were recorded in chloroform solvent. The CCPEHP molecule containing pyridine and chlorophenyl rings and hydrazone group crystallized in the triclinic system and space group.

Arylphosphonate-Tethered Porphyrins: Fluorescence Silencing Speaks a Metal Language in Living Enterocytes*.

We report the application of a highly versatile and engineerable novel sensor platform to monitor biologically significant and toxic metal ions in live human Caco-2 enterocytes. The extended conjugation between the fluorescent porphyrin core and metal ions through aromatic phenylphosphonic acid tethers generates a unique turn off and turn on fluorescence and, in addition, shifts in absorption and emission spectra for zinc, cobalt, cadmium and mercury. The reported fluorescent probes p-H TPPA and m-H TPPA can monitor a wide range of metal ion concentrations via fluorescence titration and also via fluorescence decay curves.

The significance of Holter electrocardiography in the etiological evaluation of transient ischemic stroke.

Background: Transient ischemic attack (TIA) is a common neurovascular disorder associated with a higher risk of stroke within the first 24 h after the first event. Acute cerebral and arterial neuroimaging combined with long-term electrocardiography (ECG) monitoring have been proven to be useful in determining etiology. Cardio-embolism constitutes 20%-26% etiology of TIAs most of them with atrial fibrillation (AF).

A potent drug candidature of Cu(II) pyrazino[2,3-f][1,10]phenanthroline complexes with bioactive ligands: synthesis, crystal structures, biomolecular interactions, radical scavenging and cytotoxicities.

A novel ternary copper(II) complexes, - [Cu(py-phen)(asn)(NO)(HO)] () and [Cu(py-phen)(trp)(HO)]NO ()- (py-phen: pyrazino[2,3-f][1,10]phenanthroline, asn: asparagine, trp: tryptophan), have been synthesized and characterized by CHN analysis, ESI-MS, FTIR and single-crystal X-ray diffraction techniques. Interaction of the complexes and with CT-DNA has been investigated by absorption spectral titration, EB and Hoechst 33258 displacement assay. The interaction between the complexes and and BSA was investigated by electronic absorption and fluorescence spectroscopy methods.

Semiconductive microporous hydrogen-bonded organophosphonic acid frameworks.

Herein, we report a semiconductive, proton-conductive, microporous hydrogen-bonded organic framework (HOF) derived from phenylphosphonic acid and 5,10,15,20-tetrakis[p-phenylphosphonic acid] porphyrin (GTUB5). The structure of GTUB5 was characterized using single crystal X-ray diffraction. A narrow band gap of 1.