Do Depressive Symptoms Moderate the Effects of Exercise Self-efficacy on Physical Activity Among Patients With Coronary Heart Disease?

Background: Exercise self-efficacy is an important predictor of physical activity. Patients with coronary heart disease are at risk of developing depressive symptoms that could further weaken their self-efficacy and interfere with their ability to engage in physical activity.

Objective: The aim of this study was to examine the relationship between depressive symptoms, exercise self-efficacy, and physical activity among patients with coronary heart disease and how the efficacy-activity relationship is affected by the patient's level of depression.

Photochromic Heterocycle-Fused Thieno[3,2-b]phosphole Oxides as Visible Light Switches without Sacrificing Photoswitching Efficiency.

A series of novel photochromic thieno[3,2-b]phosphole oxides has been shown to demonstrate photochromism without the need for the use of high-energy ultraviolet (UV) light irradiation while maintaining promising photochromic properties such as excellent thermal irreversibility, robust fatigue resistance, and high photoswitching efficiency. Promising visible light-induced photochromic properties have been realized by the new molecular design, in which various π systems have been incorporated into the weakly aromatic phosphole backbone instead of the conventional modification of the peripheral diaryl units that usually leads to a drastic reduction of the photochromic quantum yields (ϕ and ϕ < 0.01) or even a loss of the photochromic behavior.

DFT Studies of Dimerization Reactions of Boroles.

Boroles undergo dimerization reactions to give Diels-Alder (DA) dimers, bridged-bicyclic (BB) dimers or spiro dimers (SD) depending on the substituents on the borole. We performed DFT calculations to investigate how different substituents at the carbon atoms of the butadiene backbone as well as at the boron atom influence the dimerization reaction pathways. The DFT results show that, in general, both the DA and BB dimers are easily accessible kinetically, and the DA dimers are thermodynamically more stable than the BB dimers.

Synthesis of Luminescent Platinum(II) 2,6-Bis(N-dodecylbenzimidazol-2'-yl)pyridine Foldamers and Their Supramolecular Assembly and Metallogel Formation.

Dinuclear alkynylplatinum(II) metallofoldamers with an oligomeric m-phenyleneethynylene backbone have been designed with the incorporation of a sterically undemanding, π-conjugated, and hydrophobic 2,6-bis(N-dodecylbenzimidazol-2'-yl)pyridine pincer ligand. The complex with the optimal chain length has been found to exhibit gelation behavior via stabilization by noncovalent Pt···Pt and π-π stacking interactions in the hierarchical architecture constructed from the single-turn helix. The chain lengths of the complexes have been found to be a critical determinant for their gelation behavior, conformations, and morphologies.

A Solution-Processable Donor-Acceptor Compound Containing Boron(III) Centers for Small-Molecule-Based High-Performance Ternary Electronic Memory Devices.

A novel small-molecule boron(III)-containing donor-acceptor compound has been synthesized and employed in the fabrication of solution-processable electronic resistive memory devices. High ternary memory performances with low turn-on (V(Th1)=2.0 V) and distinct threshold voltages (V(Th2)=3.

Cleavage of a P-N Bond in a Urea-Containing (Ph2 P(R)PPh2 )-Bridged Dinuclear Gold(I) Thiolate Complex by Fluoride and a Mechanistic Insight.

A urea-containing, (Ph2 P(R)PPh2 )-bridged, dinuclear, gold(I) thiolate complex, [Au2 {Ph2 PN(C6 H4 OMe-4)PPh2 }(SC6 H4 NHCONHC6 H5 )2 ] (1) was designed and synthesized and its photophysical and anion recognition properties studied. The results show that 1 has a high selectivity toward F(-) . Upon addition of F(-) , the yellow solution was decolorized, and drastic changes of emission and (1) H and (31) P{(1) H} NMR signals were observed.

A study on the effect of dianionic tridentate ligands on the radiative and nonradiative processes for gold(III) alkynyl systems by a computational approach.

Gold(III) alkynyl complexes with dianionic tridentate pincer ligands have received growing attention recently because of their rich luminescence behavior and their potential applications in areas such as optoelectronics and sensors. In this study, density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed to investigate the radiative and nonradiative processes for the gold(III) alkynyl complexes with different dianionic tridentate ligands, [Au(C^N^C)(C≡CC6H5)] (1; C^N^C = 2,6-diphenylpyridine), [Au(C(Np)^N^C(Np))(C≡CC6H5)] [2; C(Np)^N^C(Np) = 2,6-di(2-naphthyl)pyridine], [Au(N^N^N)(C≡CC6H5)] [3; N^N^N = 2,6-bis(benzimidazol-2'-yl)pyridine], and [Au(C^C^N)(C≡CC6H5)] [4; C^C^N = 3-(2-pyridyl)biphenyl]. It has been found that the electronic properties of the tridentate ligand could have a significant impact on the radiative and nonradiative processes.

Multiaddressable molecular rectangles with reversible host-guest interactions: modulation of pH-controlled guest release and capture.

A series of multiaddressable platinum(II) molecular rectangles with different rigidities and cavity sizes has been synthesized by endcapping the U-shaped diplatinum(II) terpyridine moiety with various bis-alkynyl ligands. The studies of the host-guest association with various square planar platinum(II), palladium(II), and gold(III) complexes and the related low-dimensional gold(I) complexes, most of which are potential anticancer therapeutics, have been performed. Excellent guest confinement and selectivity of the rectangular architecture have been shown.

Photochromic dithienylethene-containing triarylborane derivatives: facile approach to modulate photochromic properties with multi-addressable functions.

A series of dithienylethene-containing triarylboranes has been designed, synthesized, and characterized. The electrochemistry, photophysics, and photochromic behavior have also been studied. The photophysical and photochromic properties could be facilely tuned in this system by varying the thiophene spacers (thiophene, thienothiophene, and bithiophene) between the dithienylethene and the dimesitylboron (BMes2 ) or the position of the BMes2 substitution in the thiophene spacers.

A highly efficient silole-containing dithienylethene with excellent thermal stability and fatigue resistance: a promising candidate for optical memory storage materials.

Diarylethene compounds are potential candidates for applications in optical memory storage systems and photoswitchable molecular devices; however, they usually show low photocycloreversion quantum yields, which result in ineffective erasure processes. Here, we present the first highly efficient photochromic silole-containing dithienylethene with excellent thermal stability and fatigue resistance. The photochemical quantum yields for photocyclization and photocycloreversion of the compound are found to be high and comparable to each other; the latter of which is rarely found in diarylethene compounds.

Synthesis and photoinduced electron transfer in platinum(II) bis(N-(4-ethynylphenyl)carbazole)bipyridine fullerene complexes.

Platinum(ii) bis(N-(4-ethynylphenyl)carbazole)bipyridine fullerene complexes, (Cbz)2-Pt(bpy)-C60 and ((t)BuCbz)2-Pt(bpy)-C60, were synthesized. Their photophysical properties were studied by electronic absorption and emission spectroscopy and the origin of the transitions was supported by computational studies. The electrochemical properties were also studied and the free energies for charge-separation and charge-recombination processes were evaluated.

Synthesis, characterization, self-assembly, gelation, morphology and computational studies of alkynylgold(III) complexes of 2,6-bis(benzimidazol-2'-yl)pyridine derivatives.

A novel class of alkynylgold(III) complexes of the dianionic ligands derived from 2,6-bis(benzimidazol-2'-yl)pyridine (H2bzimpy) derivatives has been synthesized and characterized. The structure of one of the complexes has also been determined by X-ray crystallography. Electronic absorption studies showed low-energy absorption bands at 378-466 nm, which are tentatively assigned as metal-perturbed π-π* intraligand transitions of the bzimpy(2-) ligands.

Design and synthesis of bipyridine platinum(II) bisalkynyl fullerene donor-chromophore-acceptor triads with ultrafast charge separation.

Donor-chromophore-acceptor triads, (PTZ)2-Pt(bpy)-C60 and ((t)BuPTZ)2-Pt(bpy)-C60, along with their model compound, (Ph)2-Pt(bpy)-C60, have been synthesized and characterized; their photophysical and electrochemical properties have been studied, and the origin of the absorption and emission properties has been supported by computational studies. The photoinduced electron transfer reactions have been investigated using the femtosecond and nanosecond transient absorption spectroscopy. In dichloromethane, (Ph)2-Pt(bpy)-C60 shows ultrafast triplet-triplet energy transfer from the (3)MLCT/LLCT excited state within 4 ps to give the (3)C60* state, while in (PTZ)2-Pt(bpy)-C60 and ((t)BuPTZ)2-Pt(bpy)-C60, charge-separated state forms within 400 fs from the (3)MLCT/LLCT excited state with efficiency of over 0.

Synthesis, characterization, and photophysical properties of Bodipy-spirooxazine and -spiropyran conjugates: modulation of fluorescence resonance energy transfer behavior via acidochromic and photochromic switching.

Two series of Bodipy-containing photochromic spirooxazine and spiropyran derivatives have been designed, synthesized and characterized by (1)H NMR, ESI mass spectrometry and elemental analysis. Their electrochemical and photochromic properties were investigated. The photophysical, ultrafast transient absorption, and fluorescence resonance energy transfer (FRET) properties from Bodipy (donor) to the ring-opened merocyanine (acceptor) were also studied.

Computational studies on the excited states of luminescent platinum(II) alkynyl systems of tridentate pincer ligands in radiative and nonradiative processes.

Platinum(II) alkynyl complexes of various tridentate pincer ligands, [Pt(trpy)(C≡CR)](+) (trpy = 2,2':6',2″-terpyridine), [Pt(R'-bzimpy)(C≡CR)](+) (R'-bzimpy = 2,6-bis(N-alkylbenzimidazol-2'-yl)pyridine and R' = alkyl), [Pt(R'-bzimb)(C≡CR)] (R'-bzimb = 1,3-bis(N-alkylbenzimidazol-2'-yl)benzene and R' = C4H9), have been found to possess rich photophysical properties. The emission in dilute solutions of [Pt(trpy)(C≡CR)](+) originated from a triplet alkynyl-to-tridentate pincer ligand-to-ligand charge transfer (LLCT) excited state, with mixing of a platinum-to-tridentate pincer ligand metal-to-ligand charge transfer (MLCT) excited state, while that of [Pt(R'-bzimb)(C≡CR)] originated from a triplet excited state of intraligand (IL) character of the tridentate ligand mixed with a platinum-to-tridentate ligand MLCT character. Interestingly, both emissions were observed in [Pt(R'-bzimpy)(C≡CR)](+) in some cases.

Tunable photochromism in air-stable, robust dithienylethene-containing phospholes through modifications at the phosphorus center.

Robust photoswitch: The photophysical and photochromic properties of a series of robust dithienylethene-containing phosphole derivatives can be readily tuned by simple modifications at the phosphorus center. Both the open and closed forms of the phosphole compounds are stable in benzene solution and in PMMA film in the dark.

Synthesis and characterization of luminescent cyclometalated platinum(II) complexes of 1,3-bis-hetero-azolylbenzenes with tunable color for applications in organic light-emitting devices through extension of π conjugation by variation of the heteroatom.

A series of luminescent cyclometalated platinum(II) complexes of N^C^N ligands [N^C^N=2,6-bis(benzoxazol-2'-yl)benzene (bzoxb), 2,6-bis(benzothiazol-2'-yl)benzene (bzthb), and 2,6-bis(N-alkylnaphthoimidazol-2'-yl)benzene (naphimb)] has been synthesized and characterized. Two of the platinum(II) complexes have been structurally characterized by X-ray crystallography. Their electrochemical, electronic absorption, and luminescence properties have been investigated.

Deep red to near-infrared emitting rhenium(I) complexes: synthesis, characterization, electrochemistry, photophysics, and electroluminescence studies.

A series of triarylamine-containing tricarbonyl rhenium(I) complexes, [BrRe(CO)3 (N^N)] (N^N=5,5'-bis(N,N-diaryl-4-[ethen-1-yl]-aniline)-2,2'-bipyridine), has been designed and synthesized by introducing a rhenium(I) metal center into a donor-π-acceptor-π-donor structure. All of the complexes showed an intense broad structureless emission band in dichloromethane at around 680-708 nm, which originated from an excited state of intraligand charge transfer ((3)ILCT) character from the triarylamine to the bipyridine moiety. Upon introduction of the bulky and electron-donating pentaphenylbenzene units attached to the aniline groups, the emission bands were found to be red shifted.

Cholesterol-/estradiol-appended alkynylplatinum(II) complexes as supramolecular gelators: synthesis, characterization, photophysical and gelation studies.

A series of cholesterol-/estradiol-appended alkynylplatinum(II) complexes with tridentate N-donor ligands, based on 2,6-bis(1-alkylpyrazol-3-yl)pyridine, has been synthesized and characterized by (1)H NMR spectroscopy, FAB-mass spectrometry, and elemental analysis. Their photophysical properties have also been investigated. Computational studies have been performed to provide insights into the nature of the electronic transitions.

Luminescent cyclometalated alkynylplatinum(II) complexes with a tridentate pyridine-based N-heterocyclic carbene ligand: synthesis, characterization, electrochemistry, photophysics, and computational studies.

A new class of luminescent alkynylplatinum(II) complexes with a tridentate pyridine-based N-heterocyclic carbene (2,6-bis(1-butylimidazol-2-ylidenyl)pyridine) ligand, [Pt(II)(C^N^C)(C≡CR)][PF6], and their chloroplatinum(II) precursor complex, [Pt(II)(C^N^C)Cl][PF6], have been synthesized and characterized. One of the alkynylplatinum(II) complexes has also been structurally characterized by X-ray crystallography. The electrochemistry, electronic absorption and luminescence properties of the complexes have been studied.

Dynamic scaffold of chiral binaphthol derivatives with the alkynylplatinum(II) terpyridine moiety.

Platinum(II)-containing complexes with inherently chiral binaphthol derivatives display a versatile scaffold between random coils and single-turn helical strands, in which the conformational transition is controlled by the Pt···Pt and π-π interactions of alkynylplatinum(II) terpyridine moiety upon solvent and temperature modulation. The bisignate Cotton effect in the circular dichroism spectra is indicative of the cooperative transformation from random coil state to a compact single-turn M- or P-helix. More importantly, as revealed by the appearance of new UV-vis absorption and emission bands during conformational change, the self-assembly of the platinum(II)-containing complex into a helical structure is assisted by the metal···metal and π-π interactions of the alkynylplatinum(II) terpyridine moieties.

Luminescent platinum(II) complexes of 1,3-bis(N-alkylbenzimidazol- 2'-yl)benzene-type ligands with potential applications in efficient organic light-emitting diodes.

A series of luminescent platinum(II) complexes of tridentate 1,3-bis(N-alkylbenzimidazol-2'-yl)benzene (bzimb) ligands has been synthesized and characterized. One of these platinum(II) complexes has been structurally characterized by X-ray crystallography. Their electrochemical, electronic absorption, and luminescence properties have been investigated.

Synthesis, photochromic, and computational studies of dithienylethene-containing β-diketonate derivatives and their near-infrared photochromic behavior upon coordination of a boron(III) center.

A series of dithienylethene-containing 1-thienyl-3-aryl-propane-1,3-diones (aryl = phenyl (Ph), thienyl (Th), and 4,5-bis(2,5-dimethylthiophen-3-yl)thiophen-2-yl (DTE-Th)) and the corresponding boron(III) diketonates, (O^O)BR(2) (R = F, C(6)F(5), and Ph), have been designed and synthesized. Their photophysical, electrochemical, and photochromic properties have been studied. Upon coordination of a boron(III) center, the closed forms of the dithienylethene-containing β-diketonates show near-infrared response and the photochromic behavior was also found to be affected by the aryl substituents at the 3-position of the β-diketonates.

Luminescent cyclometalated alkynylgold(III) complexes with 6-phenyl-2,2'-bipyridine derivatives: synthesis, characterization, electrochemistry, photophysics, and computational studies.

A novel class of luminescent gold(III) complexes containing various tridentate cyclometalating ligands derived from 6-phenyl-2,2'-bipyridine and alkynyl ligands, [Au(RC^N^N)(C≡C-R')]PF(6), has been successfully synthesized and characterized. One of the complexes has also been determined by X-ray crystallography. Electrochemical studies show a ligand-centered reduction originated from the cyclometalating RC^N^N ligands as well as an alkynyl-centered oxidation.

Structure, photophysical properties and computational study of a highly luminescent mixed-metal platinum(II)-silver(I) system. Potential building blocks for emissive supramolecular structures.

A luminescent cyclometalated platinum(II) complex has been shown to sandwich a silver ion, which demonstrates intense luminescence with appreciable photoluminescence quantum yield. Computational studies have been performed to provide insights into the nature of the photophysical properties.