Iron/cobalt/nickel regulation for efficient photocatalytic carbon dioxide reduction over phthalocyanine covalent organic frameworks.

Using solar photocatalytic CO reduction to produce high-value-added products is a promising solution to environmental problems caused by greenhouse gases. Metal phthalocyanine COFs possess a suitable band structure and strong light absorption ability, making them a promising candidate for photocatalytic CO reduction. However, the relationship between the electronic structure of these materials and photocatalytic properties, as well as the mechanism of photocatalytic CO reduction, is still unclear.

A Drug-Drug Cocrystal of Dihydromyricetin and Pentoxifylline.

Drug-drug cocrystals, which can regulate physicochemical properties of individual drugs and might produce synergistic therapeutic effects, have drawn growing interest in the pharmaceutical industry. In this study, a novel drug-drug (1:1) cocrystal hydrate of slightly water-soluble dihydromyricetin (DMY) and highly water-soluble pentoxifylline (PTX), DMY-PTX•HO (1), was prepared by a slurry method. The single-crystal X-ray diffraction results reveal that the cocrystal is formed through hydrogen-bonding interactions between hydroxyl groups of DMY and four acceptors of PTX.

Indirect-to-direct band gap transition and optical properties of metal alloys of CsTe Ti I: a theoretical study.

In recent years, double perovskites have attracted considerable attention as potential candidates for photovoltaic applications. However, most double perovskites are not suitable for single-junction solar cells due to their large band gaps (over 2.0 eV).

Preparation of Functionalized Magnetic Fe₃O₄@Au@polydopamine Nanocomposites and Their Application for Copper(II) Removal.

Polydopamine (PDA) displays many striking properties of naturally occurring melanin in optics, electricity, and biocompatibility. Another valuable feature of polydopamine lies in its chemical structure that incorporates many functional groups such as amine, catechol and imine. In this study, a nanocomposite of magnetic Fe₃O₄@Au@polydopamine nanopaticles (Fe₃O₄@Au@ PDA MNPs) was synthesized.

Enantioselective permeations of amino acids through L-proline-modified gold nanochannel membrane: an experimental and theoretical study.

L-Proline-modified gold nanochannel membrane (L-Pro-GNM) was prepared and applied for the enantioselective permeations of amino acid enantiomers including tyrosine (Tyr), tryptophan (Trp) and phenylalanine (Phe). Experimental results show that L-Pro-GNM has enantioselectivities for Tyr and Phe enantiomers. Furthermore, the chiral recognition mechanism was studied by density functional theory (DFT) and reduced density gradient (RDG).

Creating BHb-imprinted magnetic nanoparticles with multiple binding sites.

A kind of protein imprinted over magnetic FeO@Au multifunctional nanoparticles (NPs) with multiple binding sites was synthesized and investigated. Magnetic FeO@Au NPs as carrier materials were modified with 4-mercaptophenylboronic acid (MPBA) and mercaptopropionic acid (MPA) to introduce boronic acids and carboxyl groups. Using Bovine Hemoglobin (BHb) as a template, a polydopamine(PDA)-based molecular imprinted film was fabricated to produce a kind of magnetic molecularly imprinted nanoparticle (MMIP), possessing multiple binding sites with benzene-diol, amino groups, boronic acids and carboxyl groups.

Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor.

In crystal structure of the title compound, C12H21N3O5S3 [systematic name: (R)-4-ethyl-amino-2-(3-meth-oxy-prop-yl)-3,4-di-hydro-2H-thieno[3,2-e][1,2]thia-zine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding inter-actions. The sulfonamide group is involved in hydrogen bonding with the secondary amine and the meth-oxy O atom, resulting in the formation of layers parallel to the bc plane. The layers are linked by an N-H⋯O hydrogen bond involving a sulfonamide O atom as acceptor and the secondary amine H atom as donor, which gives rise to the formation of a unique bilayer structure.

Crystal structure of 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium 2-(4-iso-butyl-phen-yl)propano-ate: a simple organic salt of racemic ibuprofen.

In the title organic salt of ibuprofen with trometamol, C4H12NO3 (+)·C13H17O2 (-), the carb-oxy-lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N-H⋯O hydrogen bonds, forming chains along [001]. To these chains are attached the ibuprofen anions via O-H⋯O and N-H⋯O hydrogen bonds.

Crystal structure of tetra-aquabis(1,3-dimethyl-2,6-dioxo-3,7-di-hydro-1H-purin-9-ido)magnesium.

The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the Mg(II) atom is coordinated in a slightly distorted octa-hedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-di-hydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intra-molecular O-H⋯O hydrogen bond forms an S(7) graph-set motif. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds link complex mol-ecules forming a three-dimensional network incorporating R 4 (2)(8) and R 2 (2)(18) graph-set motifs.

Crystal structure of 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclo-hexa-1,4-dien-1-yl)hepta-noate 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium monohydrate: a new solid form of seratrodast.

In the title hydrated salt, C4H12NO3 (+)·C22H25O4 (-)·H2O, seratrodast [systematic name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclo-hexa-1,4-dien-1-yl)hepta-noic acid] crystallized with trometamol [systematic name: 2-amino-2-(hydroxyméth-yl)propane-1,3-diol] to form a monohydrated salt form of seratrodast. The carb-oxy-lic acid group of seratrodast has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked to the water mol-ecules and to each other by N-H⋯O and O-H⋯O hydrogen bonds forming sheets parallel to (100).

Poly[{μ(3)-3-[4-(1H-imidazol-1-yl-methyl)phen-yl]prop-2-enoato-κN:η:κO}copper(I)].

In the coordination polymer, [Cu(I)(C(13)H(11)N(2)O(2))](n), the Cu(I) atom exists in a trigonal-planar geometry that is defined by the C=C unit, the imidazole N atom and carboxyl-ate O atoms from three different ozagrel ligands, resulting in the formation of a three-dimensional framework.

2-Methoxy-phenyl 2-{2-[1-methyl-5-(4-methyl-benzo-yl)pyrrol-2-yl]acetamido}acetate.

The title compound, amtolmetin guacil, C(24)H(24)N(2)O(5), is a new gastroprotective non-steroidal anti-inflammatory drug. In the crystal structure, the drug mol-ecule is linked into a one-dimensional structure along the c axis by weak N-H⋯O inter-actions between the amide groups. C-H⋯O and C-H⋯π inter-actions influence the packing.

μ-4,4'-Bipyridine-κN:N'-bis-[aqua-(4,4'-bi-pyridine-κN)(l-valinato-κN,O)copper(II)] dinitrate dihydrate.

In the title dinuclear complex, [Cu(2)(C(5)H(10)NO(2))(2)(C(10)H(8)N(2))(3)(H(2)O)(2)](NO(3))(2)·2H(2)O, each of the two l-valinate anions chelates a Cu(II) center through the amino N and carboxyl-ate O atom, forming a five-membered ring. A 4,4'-bipyridine mol-ecule bridges two water-coordinated Cu atoms, each of which is connected to another 4,4'-bipyridine, giving rise to a square-pyramidal coordination geometry for the Cu(II) centers. The dinuclear dications, nitrate anions and uncoord-inated water mol-ecules are linked into a two-dimensional structure.

Monohydrous dihydrogen phosphate salts of norfloxacin and ciprofloxacin.

Norfloxacin and ciprofloxacin crystallize with phosphoric acid in aqueous solution to give the salts 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinolyl)piperazinium dihydrogenphosphate monohydrate, C16H19FN3O3(+) x H2PO4(-) x H2O, and 4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-7-quinolyl)piperazinium dihydrogenphosphate monohydrate, C17H19FN3O3(+) x H2PO4(-) x H2O, respectively. In the crystal structures, the phosphate anions and the piperazine rings of norfloxacin or ciprofloxacin form a 12-membered supramolecular synthon, viz. R4(4)(12).

Hydrogen-bonding interactions in the 4-aminobenzoic acid salt of atenolol monohydrate.

Atenolol {or 4-[2-hydroxy-3-(isopropylamino)propoxy]phenylacetamide} crystallizes with 4-aminobenzoic acid to give the salt {3-[4-(aminocarbonylmethyl)phenoxy]-2-hydroxypropyl}isopropylammonium 4-aminobenzoate monohydrate, C14H23N2O3(+) x C7H6NO2(-) x H2O. In the crystal structure, the water molecule, the carboxylate group of 4-aminobenzoate, and the hydroxy and ether O atoms of atenolol form a supramolecular R3(3) (11) heterosynthon. Three other types of supramolecular synthons link the asymmetric unit into a two-dimensional structure.

4,4'-Bipyridyl N,N'-dioxide-3-hydroxy-2-naphthoic acid (1/2).

4,4'-Bipyridyl N,N'-dioxide crystallizes with 3-hydroxy-2-naphthoic acid to give a centrosymmetric three-component adduct, C(10)H(8)N(2)O(2).2C(11)H(8)O(3), which is engineered into a two-dimensional layer structure by two kinds of pi-pi interactions. Weak C-H.

The cocrystal of 3-hydroxy-2-naphthoic acid and 4,4'-bipyridine.

4,4'-Bipyridine cocrystallizes with 3-hydroxy-2-naphthoic acid in a 1:2 ratio to give a centrosymmetric three-component supramolecular adduct, namely 3-hydroxy-2-naphthoic acid-4,4'-bipyridine (2/1), C11H8O3.0.5C10H8N2, in which 4,4'-bipyridine is located on an inversion center.

Dynamic formation of coordination polymers versus tetragonal prisms and unexpected magnetic superexchange coupling mediated by encapsulated anions in the cobalt(II) 1,3-bis(pyrid-4-ylthio)propan-2-one series.

The reactions of cobalt(II) halides and flexible ligand L [L=1,3-bis(pyrid-4-ylthio)propan-2-one] under different conditions generated a series of complexes with various structural motifs ranging from tetragonal-prismatic cages to 1-3D coordination polymers. The layer diffusion of cobalt(II) chloride and L in methanol/acetone at 25 degrees C gave rise to a 3D polymer, [Co(L)2Cl2].Me2CO.

Red luminescent polymeric cuprous organosulfide generated by solvothermal redox reaction.

A new polymeric metal organosulfide [Cu(I)3(pymt)3]n(pymt = pyrimidine-2-thiolate) with strong red photoluminescence was synthesized through solvothermal redox reaction, and crystallographically characterized to be a one-dimensional chiral structure containing metal-metal interactions.