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Abstract: A large number of recent studies are focused on evaluating the mechanism of action of trans fatty acids (TFAs) on the progression of apoptosis. A strong positive association has been reported between TFA and coronary heart disease (CHD), obesity and nonalcoholic steatohepatitis and so on. The present study reviewed the biological effects of trans fatty acids (TFA) and their possible roles in lipid rafts in regulating apoptosis. The following aspects of TFA were included: the research about TFA and diseases affecting serum lipid levels, inducing system inflammation and immune response, and the correlation between TFA and apoptosis. The primary purpose of the review article was to comprehensively evaluate the potential correlation between lipid rafts and apoptosis induced by different structures of TFA and provide some new research progress and future directions about it. [ABSTRACT FROM AUTHOR]

In this present work, we theoretically investigate a novel system 3‐hydroxy‐2‐(5‐(5‐(5‐(3‐hydroxy‐4‐oxo‐4H‐chromen‐2‐yl)thiophen‐2‐yl)thiophen‐2‐yl)thiophen‐2‐yl)‐4H‐chromen‐4‐one (FT) based on density functional theory (DFT) and time‐dependent DFT (TDDFT) methods. Via calculating the reduced density gradient (RDG) versus sign(λ2) ρ, we firstly verify the formation of the dual intramolecular hydrogen bonds (O1─H2···O3 and O4─H5···O6) for FT form in the S0 state. Then comparing the primary structural parameters and corresponding infrared (IR) vibrational spectra involved in hydrogen bonds between S0 and S1 state, we demonstrate that these two intramolecular hydrogen bonds should be strengthened in the S1 state. Insights into the vertical excitation process, our theoretical results reproduced experimental absorption nature, which confirms that the theoretical level (B3LYP/TZVP) is reasonable and effective in this work. And frontier molecular orbitals (MOs) depict the nature of electronically excited state and support the excited‐state intramolecular proton transfer (ESIPT) reaction. According to the calculated results of potential energy curves along stepwise and synergetic O1─H2 and O4─H5 coordinates, we verify that only the excited‐state single‐proton transfer could occur for FT molecule in the S1 state, although it possesses two intramolecular hydrogen bonds. We not only investigate the detail excited‐state behaviors for FT system and elaborate the ESIPT mechanism but also explain previous experimental results. Dual intramolecular hydrogen bonds should be strengthened upon photoexcitation. The charge redistribution reveals the tendency of ESIPT reaction. We confirm that only single proton transfer occurs in the S1 state. [ABSTRACT FROM AUTHOR]

Abstract: A novel method for fabrication of highly porous barium strontium titanate (BST) ceramic foams based on particle‐stabilized foaming method was developed for the first time, in which propyl gallate (PG) was employed as BST particle modifier. The results showed that the stability of wet BST foams closely depends on the pH value and PG concentration, which could be explained by the adsorption behavior of PG on BST particle surface. BST ceramic foams with dense, uniform, and closed pore and defect‐free wall were obtained. The pore size and porosity can be well controlled by adjusting solid loading and sintering temperature. It was revealed that not only sintering temperature but also solid loading significantly influenced the growth of BST grain. The BST ceramic foams exhibited high porosity in the range of 81%‐95%, low dielectric constant in the range of 47‐150, and low dielectric loss below 0.0025. The BST ceramic foams with higher porosity presented a tendency of lower dielectric constant and the fitting results indicated that the natural logarithm of dielectric constant was linear correlated with porosity. [ABSTRACT FROM AUTHOR]

Summary: Immune thrombocytopenia (ITP) is an autoimmune disease. Mesenchymal stem cells (MSCs) play important roles in the physiology and homeostasis of the haematopoietic system, including supporting megakaryocytic differentiation from CD34+ haematopoietic progenitor cells. Tumour necrosis factor alpha‐induced protein 3 (TNFAIP3, also termed A20) plays a key role in terminating NF‐κB signalling. Human genetic studies showed that the polymorphisms of the TNFAIP3 gene may contribute to ITP susceptibility. In this study, we showed a significant decrease in TNFAIP3 and increase in NF‐κB/SMAD7 in ITP‐MSCs. In co‐cultures with CD34+ cells, NF‐κB was overexpressed in MSCs from healthy controls (HC‐MSCs) after transfection with NFKBIA (IκB)‐specific short hairpin (sh)RNAs, resulting in MSC deficiency and a reduction in megakaryocytic differentiation and thrombopoiesis. Knockdown of TNFAIP3 expression using TNFAIP3‐specific shRNAs in HC‐MSCs affected megakaryocytopoiesis. However, IKBKB knockdown corrected megakaryocytopoiesis inhibition in the ITP‐MSCs by decreasing NF‐κB expression. Amplified TNFAIP3 expression in ITP‐MSCs by TNFAIP3 cDNA can facilitate megakaryocyte differentiation. shRNA‐mediated knockdown of SMAD7 expression rescued the impaired MSC function in ITP patients. Therefore, we demonstrate that a pathological reduction in TNFAIP3 levels induced NF‐κB/SMAD7 pathway activation, causing a deficiency in MSCs in ITP patients. The ability of ITP‐MSCs to support megakaryocytic differentiation and thrombopoiesis of CD34+ cells was impaired. [ABSTRACT FROM AUTHOR]

Abstract: In this work, we mainly focus on the excited‐state intramolecular proton transfer mechanism of a new molecule 9,10‐dihydroxybenzo[h]quinoline (9‐10‐HBQ). Within the framework of density functional theory and time‐dependent density functional theory methods, we have theoretically investigated its excited‐state dynamical process and our theoretical results successfully reappeared previous experimental electronic spectra. The ultrafast excited‐state intramolecular proton transfer process occurs in the first excited state (S1 state) forming 9‐10‐HBQ‐PT1 structure without potential energy barrier along with hydrogen bond (O3–H4···N5). Then the second proton may transfer via another intramolecular hydrogen bonded wire (O1–H2···N3) with a moderate potential energy barrier (about 7.69 kcal/mol) in the S1 state forming 9‐10‐HBQ‐PT2 configuration. After completing excited‐state dynamical process, the molecule on the first excited electronic state would come back to the ground state. We not only clarify the excited‐state dynamical process for 9‐10‐HBQ but also put forward new predictions and successfully explain previous experimental results. [ABSTRACT FROM AUTHOR]

Abstract: Objectives: To explore the possible risk factors for the occurrence and mortality of thrombotic microangiopathy (TMA) with concomitant acute graft‐vs‐host disease (aGVHD) and to investigate outcomes and treatments of this disorder after allo‐HSCT. Methods: Fifty cases diagnosed with TMA with concomitant aGVHD and 150 controls were identified from a cohort composed of 3992 patients who underwent allo‐HSCT from 2008 to 2016. Results: Grade III‐IV aGVHD (P = .000), acute kidney injury (AKI) (P = .033), and hypertension (P = .028) were significant independent risk factors associated with the occurrence of TMA with concomitant aGVHD. A haptoglobin level below normal (P = .013), a maximum volume of diarrhea >2500 mL/d (P = .015), and bloody diarrhea (P = .049) were significant markers for death in both univariate and multivariate analyses. Patients diagnosed with TMA with concomitant aGVHD had a lower overall survival (OS), a higher non‐relapse mortality (NRM), but a lower risk of relapse. Conclusions: Thrombotic microangiopathy with concomitant aGVHD is a significant complication after allo‐HSCT, with a worse outcome, including significantly lower OS and higher NRM. There are specific risk factors associated with occurrence and mortality of this complication. [ABSTRACT FROM AUTHOR]

Most metal-organic frameworks (MOFs) possess anisotropic properties, the full exploitation of which necessitates a general strategy for the controllable orientation of such MOF crystals. Current methods largely rely upon layer-by-layer MOF epitaxy or tuning of MOF crystal growth on appropriate substrates, yielding MOFs with fixed crystal orientations. Here, the dynamic magnetic alignment of different MOF crystals (NH2-MIL-53(Al) and NU-1000) is shown. The MOFs were magnetized by electrostatic adsorption of iron oxide nanoparticles, dispersed in curable polymer resins (Formlabs 1+ clear resin/ Sylgard 184), magnetically oriented, and fixed by resin curing. The importance of crystal orientation on MOF functionality was demonstrated whereby magnetically aligned NU-1000/Sylgard 184 composite was excited with linearly polarized 405 nm light, affording an anisotropic fluorescence response dependent on the polarization angle of the excitation beam relative to NU-1000 crystal orientation. [ABSTRACT FROM AUTHOR]

Ni-Al2O3-MoS2 composite coatings were prepared on the surface of aluminum alloy substrates by an integrative method of electrophoresis and electrodeposition from the electrolytic solution with different MoS2 concentrations. The surface morphology and compositions of the coatings were studied by scanning electron microscopy equipped with an energy dispersive spectroscope. The microindentation hardness and tribological properties of the coatings were tested using a Vickers hardness tester and friction performance tester in dry sliding condition, respectively. Results showed that the cross-sections of the coatings exhibited smooth morphology and uniform distribution of the compositions. Al2O3 and MoS2 particles were uniformly dispersed in the Ni matrix. The coatings were sufficiently adhered on the aluminum alloy substrates. The addition of MoS2 particles can significantly improve the wear resistance of the coatings. When the MoS2 concentration is 1.0 g/L, the Ni-Al2O3-MoS2 coatings exhibit superior mechanical properties. [ABSTRACT FROM AUTHOR]

ABSTRACT The emergency of antibiotic-resistant bacteria and their wide spread has posed a worldwide threat to public health, and traditional antibiotics are gradually overwhelmed by infectious bacteria. Herein, we report an efficient and economical strategy to construct antimicrobial polymers with net cationic component and hyperbranched architecture, which exhibit highly selective toxicity toward bacteria over human cells. To this aim, cationic poly(aminoethyl acrylate) (PAEA) without hydrophobicity is chosen for low hemolysis activity and targeting the negative bacterial membranes, and hyperbranched architecture is introduced to solve the dilemma of low antimicrobial activity. Long-subchain hyperbranched PAEA ( lhb-PAEA) samples kills >99.99% gram-negative Escherichia coli and >98% gram-positive Staphylococcu aureus at the dose of ≤4 μg/mL. Moreover, lhb-PAEA samples exhibit great biocompatibility, for the hemolysis percentage was ≤35% even at the high dose of 1024 μg/mL. Thus, enhanced antimicrobial activity, reduced hemolytic toxicity, the feasible and low-cost production are achieved for lhb-PAEA as antimicrobial agents. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 3462-3469 [ABSTRACT FROM AUTHOR]

Aims This study explored sFasL expression in neurons and the potential role of neuronal sFasL in modulating the microglial phenotypes. Methods In vivo, middle cerebral artery occlusion ( MCAO) was induced in both FasL-mutant ( gld) and wild-type (wt) mice. In vitro, primary cortical neuron or microglia or coculture from wt/ gld mice was subjected to oxygen glucose deprivation ( OGD). sFasL level in the supernatant was evaluated by ELISA. Neuronal-conditioned medium (NCM) or exogenous sFasL was applied to primary microglia with or without FasL neutralizing antibody. Protein expression of JAK2/ STAT3 and NF-κB pathways were determined by Western blot. The effect of microglia phenotype from wt/ gld mice on the fate of ischemic neurons was further elucidated. Results In vivo, compared with wild-type mice, M1 markers ( CD16, CD32 and iNOS) were attenuated in gld mice after MCAO. In vitro, post- OGD neuron released more sFasL. Both post- OGD NCM and exogenous sFasL could trigger M1-microglial polarization. However, this M1 phenotype shift was partially blocked by utilization of FasL neutralizing antibody or gld NCM. Consistently, JAK2/ STAT3 and NF-κB signal pathways were both activated in microglia after exogenous sFasL treatment. Compared with wild-type mice, M1-conditioned medium prepared from gld mice protected neuron against OGD injury. Conclusions Ischemic neurons release sFasL, which contributes to M1-microglial polarization. The underlying mechanisms may involve the activation of JAK2/ STAT3 and NF-κB signaling pathways. [ABSTRACT FROM AUTHOR]

Natural selection endows animals with the abilities to store lipid when food is abundant and to synthesize lipid when it is limited. However, the relevant adaptive strategy of lipid metabolism has not been clearly elucidated in fish. This study examined the systemic metabolic strategies of Nile tilapia to maintain lipid homeostasis when fed with low- or high-fat diets. Three diets with different lipid contents (1%, 7%, and 13%) were formulated and fed to tilapias for 10 weeks. At the end of the feeding trial, the growth rate, hepatic somatic index, and the triglyceride (TG) contents of serum, liver, muscle, and adipose tissue were comparable among three groups, whereas the total body lipid contents and the mass of adipose tissue increased with the increased dietary lipid levels. Overall quantitative PCR, western blotting and transcriptomic assays indicated that the liver was the primary responding organ to low-fat (LF) diet feeding, and the elevated glycolysis and accelerated biosynthesis of fatty acids (FA) in the liver is likely to be the main strategies of tilapia toward LF intake. In contrast, excess ingested lipid was preferentially stored in adipose tissue through increasing the capability of FA uptake and TG synthesis. Increasing numbers, but not enlarging size, of adipocytes may be the main strategy of Nile tilapia responding to continuous high-fat (HF) diet feeding. This is the first study illuminating the systemic adaptation of lipid metabolism responding to LF or HF diet in fish, and our results shed new light on fish physiology. [ABSTRACT FROM AUTHOR]

The article presents the authors' response to those who commented on their article "CYP3AP1*3 Allele Is Associated With Lipid-Lowering Efficacy of Simvastatin and Atorvastatin in Chinese Women" which is in the 2011;51 issue of this periodical. The low baseline low-density lipoprotein (LDL) cholesterol levels in the study are discussed. Topics include the limitation of the washout period, the reduction trends of LDL in both groups, and the lipid-lowering effectiveness of statin drugs.

NPDBD plasma actuation is a novel method for active flow control. In Benard's paper, compression waves induced by NPDBD plasma actuation with shorter rise time are stronger. But the mechanism is still not clear yet. In this paper, NPDBD plasma actuation with different rise times are simulated using a two-dimensional plasma-fluid coupled model. Along with the decrease of rise time from 150 ns to 50 ns, discharge current, peak power, and input energy increase with constant voltage amplitude. The whole ultrafast heating energy and heating efficiency also increase, while the ratio of quenching heating and ion-neutral collision heating remains almost unchanged. Due to higher heating energy, the strength of the induced compression wave also increases with the shorter rise time. The variation law of discharge current and compression wave strength is consistent with the trends observed in Benard's paper. The main mechanism for higher ultrafast heating energy and efficiency with shorter rise time is that both maximum reduced electric field and electron density are higher. Evolution of reduced electric field, electron density, heating distribution, and induced compression wave are also presented. [ABSTRACT FROM AUTHOR]

Surface plasmon resonances (SPRs) have been found to promote chemical reactions. In most oxidative chemical reactions oxygen molecules participate and understanding of the activation mechanism of oxygen molecules is highly important. For this purpose, we applied surface-enhanced Raman spectroscopy (SERS) to find out the mechanism of SPR-assisted activation of oxygen, by using p-aminothiophenol (PATP), which undergoes a SPR-assisted selective oxidation, as a probe molecule. In this way, SPR has the dual function of activating the chemical reaction and enhancing the Raman signal of surface species. Both experiments and DFT calculations reveal that oxygen molecules were activated by accepting an electron from a metal nanoparticle under the excitation of SPR to form a strongly adsorbed oxygen molecule anion. The anion was then transformed to Au or Ag oxides or hydroxides on the surface to oxidize the surface species, which was also supported by the heating effect of the SPR. This work points to a promising new era of SPR-assisted catalytic reactions. [ABSTRACT FROM AUTHOR]

Surface plasmon resonances (SPRs) have been found to promote chemical reactions. In most oxidative chemical reactions oxygen molecules participate and understanding of the activation mechanism of oxygen molecules is highly important. For this purpose, we applied surface-enhanced Raman spectroscopy (SERS) to find out the mechanism of SPR-assisted activation of oxygen, by using p-aminothiophenol (PATP), which undergoes a SPR-assisted selective oxidation, as a probe molecule. In this way, SPR has the dual function of activating the chemical reaction and enhancing the Raman signal of surface species. Both experiments and DFT calculations reveal that oxygen molecules were activated by accepting an electron from a metal nanoparticle under the excitation of SPR to form a strongly adsorbed oxygen molecule anion. The anion was then transformed to Au or Ag oxides or hydroxides on the surface to oxidize the surface species, which was also supported by the heating effect of the SPR. This work points to a promising new era of SPR-assisted catalytic reactions. [ABSTRACT FROM AUTHOR]

Objective: 12/15-Lipoxygenase (12/15-LO) is an enzyme widely distributed in the central nervous system, and it has been involved in the neurobiology of Alzheimer disease (AD). However, the mechanism involved remains elusive.Methods: We investigated the molecular mechanism by which 12/15-LO regulates amyloid β (Aβ)/Aβ precursor protein (APP) metabolism in vivo and in vitro by genetic and pharmacologic approaches.Results: Here we show that overexpression of 12/15-LO leads to increased levels of β-secretase-1 (BACE1) mRNA and protein, a significant elevation in Aβ levels and deposition, and a worsening of memory deficits in AD transgenic mice. In vitro and in vivo studies demonstrate that 12/15-LO regulates BACE1 mRNA expression levels via the activation of the transcription factor Sp1. Thus, 12/15-LO-overexpressing mice had elevated levels of Sp1 and BACE1, whereas 12/15-LO-deficient mice had reduced levels of both. Preventing Sp1 activation by pharmacologic inhibition or dominant-negative mutant blocks the 12/15-LO-dependent elevation of Aβ and BACE1 levels.Interpretation: Our findings demonstrate a novel pathway by which 12/15-LO increases the amyloidogenic processing of APP through a Sp1-mediated transcriptional control of BACE1 levels that could have implications for AD pathogenesis and therapy. [ABSTRACT FROM AUTHOR]

WHAT IS ALREADY KNOWN ABOUT THIS SUBJECT • Whether corticosteroid use induces peptic ulcer disease (PUD) remains uncertain. • Helicobacter pylori infection in steroid users has not been well evaluated in the past. WHAT THIS STUDY ADDS • Prednisolone 60 mg daily for 3 months caused few endoscopic ulcers (1.6%) and no ulcer complications in 60 nephrotic patients, which was comparative with the controls, with an odds ratio of 0.5. • Corticosteroid therapy did not to increase PUD in nephrotic syndrome patients. Further larger studies are needed to clarify the role of corticosteroid in PUD. AIMS Whether corticosteroids induce peptic ulcer disease (PUD) remains uncertain. The study evaluated and compared the occurrence of PUD between nephrotic patients receiving oral prednisolone therapy and nephritic patients without steroid therapy. METHODS The prospective case control study compared 60 nephrotic syndrome patients who received 60 mg daily prednisolone therapy for 3 months with 30 age-and sex-matched nephritic patients without steroid therapy. Each patient underwent endoscopic examination and tissue and blood sampling before and after the study. Examined parameters included Helicobacter pylori ( H. pylori) infection, and gastric and serum prostaglandin (PG) E2 and thromboxane (TX) B2 concentrations. The primary endpoint was the occurrence of endoscopic peptic ulcers between the two groups, while the secondary end point was the occurrence of ulcer complications. RESULTS The two groups were comparable in sex, age, smoking habits, alcohol drinking, past history of PUD, H. pylori infection rate and serum creatinine. There were no differences in the occurrence of endoscopic peptic ulcers (1.6% vs. 3.3%) and ulcer complications (0% vs. 0%), pre-therapy gastric PGE2, and pre- and post-therapy gastric TXB2, serum PGE2 and serum TXB2 between the two groups. However, there was significantly lower post-therapy gastric PGE2 concentrations in the prednisolone group. CONCLUSIONS Three-month therapy with 60 mg daily prednisolone caused few endoscopic ulcers (1.6%) and no ulcer complications in nephrotic patients. Corticosteroids therapy did not increase PUD in nephrotic syndrome patients [odds ratio 0.492 with 95% confidence interval (CI) 0.03, 8.142, P= 0.620]. Further larger studies are needed to clarify the role of corticosteroids in PUD. [ABSTRACT FROM AUTHOR]

The article presents a study on crystal growth of cuprous iodide (CuI) by CuI-HI decomplexation method in HI acid. It discusses details of the experimentation to measure the solubility and complex supersaturation ratio of CuI-HI complex and HI acid in silica gel. It explores the importance of CuI because of its properties such as large ban gap, negative spin-orbit splitting, and large temperature dependency.

1. Inhibiting the renin–angiotensin–aldosterone system prevents left ventricular (LV) remodelling after myocardial infarction (MI). 2. The present study was designed to assess the effects of a combination of perindopril and losartan on LV remodelling, cardiac function and serum procollagen type III amino terminal peptide (PIIINP) levels in patients with acute MI. 3. Patients with anterior MI were divided into three groups: (i) MI + perindopril; (ii) MI + losartan; and (iii) MI + perindopril + losartan. After successful intervention therapy, perindopril (2–4 mg daily), losartan potassium (25–50 mg daily) or their combination were administered. All patients received aspirin, clopidogrel and statins, and some patients were given beta-blockers, nitrate and a platelet glycoprotein IIb/IIIa receptor antagonist. Three months later, LV dimensions and LV ejection fraction (LVEF) were measured by ultrasonography. Plasma B-type natriuretic peptide (BNP), serum C-reactive protein (CRP) and PIIINP levels were evaluated using enzyme-linked immunosorbent assay or radioimmunoassay. 4. The baseline characteristics of the three groups were the same. Three months after the initiation of therapy, all patients showed decreased CRP, increased BNP and PIIINP levels and LV dilation and dysfunction. Compared with the two monotherapy groups, patients in the combination group showed significantly lower CRP, BNP and PIIINP levels, less LV dilation and higher LVEF. Serum PIIINP levels were positively correlated with CRP levels ( r = 0.597; P < 0.01) and LV end-diastolic volume index ( r = 0.543; P < 0.01) and were negatively correlated with LVEF ( r = –0.565; P < 0.01). 5. For patients with acute MI, combination treatment with perindopril and losartan significantly inhibited LV remodelling and improved LV function. Inhibition of myocardial interstitial fibrosis may be part of the underlying mechanism. [ABSTRACT FROM AUTHOR]

Histamine (HA) was found to be present in the sympathetic nerve terminals of guinea pig hearts and vasa deferentia in our previous study; however, little is known about the functions of this neurogenic HA. In this study, we used guinea pig vasa deferentia to investigate the pre- and post-synaptic functions of HA evoked by different frequencies of sympathetic nerve stimulation. We found that sympathetic nerve stimulation could evoke HA release, which was independent to mast cell degranulator compound 48/80 and mast cell stabilizer cromolyn, but was highly sensitive to Na+ channel blocker tetrodotoxin and chemical sympathectomy with 6-hydroxydopamine. The neurogenically released HA evoked by 12.5 Hz of nerve stimulation activated only pre-synaptic H3 receptors and mediated pre-synaptic inhibitory effects, while under 25 or 50 Hz stimulation condition, HA simultaneously activated both pre-synaptic H3 receptors and post-synaptic H1 receptors. However, the direct contractile responses evoked by sympathetic HA via H1 receptors were observed at 50 Hz. HA release and HA-mediated contractile responses upon sympathetic nerve stimulation were significantly inhibited by pre-treatment of histidine decarboxylase inhibitor α-fluoromethylhistidine. Furthermore, application of exogenous HA could mimic these pre- and post-synaptic effects. Our findings indicate that HA in sympathetic neurons acts as a neurotransmitter and its functions vary from pre-synaptic inhibition, to post-synaptic facilitation, to direct post-synaptic contractile responses according to sympathetic nerve stimulation frequencies. [ABSTRACT FROM AUTHOR]

1. Methicillin resistance in Staphylococcus aureus is mediated by the mecA gene. The mecA gene encodes a penicillin-binding protein (PBP2a) possessing low β-lactam affinity. Transcription of mecA is regulated by a signal transduction system consisting of the sensor/transducer MecR1. Disruption of the MecR1 regulatory pathway may inhibit mecA expression and restore methicillin-resistant Staphylococcus aureus (MRSA) susceptibility to β-lactams. 2. In the present study, a phosphorothioate deoxyribozyme (named PS-DRz147) specifically targeting MecR1 mRNA was designed, synthesised and introduced into the MRSA strain WHO-2. 3. The expression of mecR1 and mecA was inhibited by PS-DRz147 in a concentration-dependent manner. Consequently, the susceptibility of WHO-2 colonies to the antibiotic oxacillin was restored. 4. The results of the present study indicate that blockade of the MecR1–MecI–MecA signalling pathway with an mecR1-targeted DNAzyme can restore the susceptibility of MRSA to existing β-lactam antibiotics. [ABSTRACT FROM AUTHOR]

The intermingling of larval functional neurons with adult-specific neurons during metamorphosis contributes to the development of the adult Drosophila brain. To better understand this process, we characterized the development of a dorsal cluster (DC) of Atonal-positive neurons that are born at early larval stages but do not undergo extensive morphogenesis until pupal formation. We found that Baboon(Babo)/dSmad2-mediated TGF-β signaling, known to be essential for remodeling of larval functional neurons, is also indispensable for proper morphogenesis of these adult-specific neurons. Mosaic analysis reveals slowed development of mutant DC neurons, as evidenced by delays in both neuronal morphogenesis and atonal expression. We observe similar phenomena in other adult-specific neurons. We further demonstrate that Babo/dSmad2 operates autonomously in individual neurons and specifically during the late larval stage. Our results suggest that Babo/dSmad2 signaling prior to metamorphosis may be widely required to prepare neurons for the dynamic environment present during metamorphosis. [ABSTRACT FROM AUTHOR]

In the title compound, [V4O8(SeO3)2(C10H8N2)4], there are two distinct vanadium coordination environments. Alternating corner-shared VO4N2 octahedra and SeO3 pyramids result in eight-membered centrosymmetric V2Se2O4 rings. In addition, pairs of V centres form centrosymmetric V2O6N4 clusters via edge-sharing. These two kinds of secondary building units are linked in an ABABAB fashion to give an infinite chain whose nature is unprecedented in Se–V–O systems. [ABSTRACT FROM AUTHOR]

In the title ZnII complex, [ZnCl2(C6H10N2O)2], the Zn atom is coordinated by two Cl atoms and two imidazole N atoms in a distorted tetra­hedral geometry. Weak inter­molecular C—H⋯O hydrogen bonding occurs between the methyl and meth­oxy groups. [ABSTRACT FROM AUTHOR]

In the cation of the title complex, [Fe(C21H30N10)](ClO4)2·CH3CN, the FeII atom is coordinated by three imine N atoms and three imidazole N atoms in a distorted octa­hedral geometry, with Fe—N bond distances ranging from 2.189 (3) to 2.236 (3) Å. [ABSTRACT FROM AUTHOR]

The CoII atom of the title complex, [Co(C21H30N10)](ClO4)2, located on a threefold rotation axis, is coordinated in an octahedral geometry by three imine N atoms and the three imidazole N atoms, with Co—N distance of 2.131 (3)–2.164 (3) Å, and cis and trans N—Co—N angles of 76.17 (12)–102.77 (10) and 163.66 (12)°, respectively. The perchlorate counter-anions are located on centers of symmetry. [ABSTRACT FROM AUTHOR]

Given that molecular excited state dynamical process plays important roles in designing and developing novel applications in recent years. In this work, based on density functional theory (DFT) and time‐dependent density functional theory (TDDFT) methods, we theoretically explored the novel (benzo[d]thiazol‐2‐yl)‐5‐(9H‐carbazol‐9‐yl)phenol (HBT‐Cz) system about its excited state behaviors. Via simulating the electrostatic potential surface (EPS) of HBT‐Cz structure, we confirm the formation of intramolecular hydrogen bond O2—H3···N4 in the S0 state. Our theoretical dominating bond lengths, bond angles, and the infrared (IR) vibrational spectra involved in hydrogen bond demonstrate that O2—H3···N4 should be strengthened in the S1 state. Upon the photoexcitation, we find the charge transfer characteristics around hydrogen bonding moieties play important roles in facilitating excited state intramolecular proton transfer (ESIPT) process. Via constructing potential energy curves, we confirm the ESIPT reaction that further explains previous experimental phenomenon. Moreover, we also search the S1‐state transition state (TS) structure along with ESIPT path, based on which we simulate the intrinsic reaction coordinate (IRC) path. Combing with the atom‐centered density matrix propagation (ADMP) molecular dynamics simulation, we further confirm the ESIPT mechanism presented in this work. We sincerely hope that our theoretical work could guide novel applications based on HBT‐Cz system in future. [ABSTRACT FROM AUTHOR]

Using the density functional theory (DFT) and time‐dependent density functional theory (TDDFT) methods, we theoretically explore a novel fluorescent sensor molecule (abbreviated as "2") (Sensors Actuat B‐Chem. 2018, 263, 585). Because of its symmetry, three stable structures can be located, ie, 2‐enol, 2‐SPT, and 2‐DPT forms in both S0 and S1 states. Via comparing the bond lengths and bond angles involved in the hydrogen bonding moieties, we find the dual intramolecular hydrogen bonds should be strengthened in the S1 state. And based on infrared (IR) vibrational simulations, we further confirm the strengthening dual hydrogen bonds. Upon the photo‐excitation process, the charge redistribution via frontier molecular orbitals (MOs) reveals the tendency of excited state intramolecular proton transfer (ESIPT) reaction. In addition, the constructed S0‐state and S1‐state potential energy curves demonstrate that the excited state single proton transfer (ESSPT) should be the most supported one from 2‐enol to 2‐SPT form. In view of the S1‐state stable 2‐SPT and 2‐DPT structures as well as the fluorescence peaks of them, we can further confirm the ESSPT mechanism for 2 chemosensor. This work not only clarifies the excited state behaviors of 2 system but also successfully explain the previous experimental phenomenon. The strengthening dual intramolecular hydrogen bonds (O1H2···N3 and O4H5···N6) of 2 provides the possibility for ESIPT process.The redistribution of charge involved in the hydrogen bonding moieties facilitates the ESIPT reaction.Potential energy curves and emission spectra confirm that the excited state single proton transfer should occur for 2 system. [ABSTRACT FROM AUTHOR]

In order to meet the ever‐growing demand for energy and power densities in rechargeable lithium‐ion batteries for electric vehicles, intensive research efforts are focusing on increasing output voltage and maintaining high capacity. However, the trade‐off for higher voltage is sacrificing the service life of the batteries, since the detrimentally oxidative degradation on the high‐potential cathode side would inevitably poison the whole cell. Thus, optimizing strategies for full‐cells must take into account, cathode/anode‐electrolyte compatibilities, electrochemical reversibility, and even thermal stability for practical applications, which spurs a hierarchical design for full‐cell architecture. Benefitting from its superior oxidative stability, ionic liquid (Li/Pyr13TFSI) is employed as catholyte, and equimolar LiTFSI/G3 complex is used as anolyte due to its high graphite‐intercalation‐chemistry reversibility. Segregated by a metal–organic‐framework‐based separator, advantages and drawbacks of each electrolyte systems can be synergistically tuned within their isolated environments. Encouragingly, assembled by this hybrid‐electrolytes strategy, a LiNi0.5Mn1.5O4 (5 V‐class)/graphite Li‐ion full‐cell holds an ultrahigh capacity retention rate of 83.8% over 1000 cycles at harsh elevated temperature. A hybrid electrolytes design is introduced into a high‐voltage Li‐ion full‐cell system. The oxidative stability of ionic liquid (catholyte) supports the 5 V‐class LiNi0.5Mn1.5O4 cathode working at elevated temperature, while good Li‐graphite‐intercalation‐chemistry reversibility of super‐concentrated ether electrolyte (anolyte) is beneficial to the graphite anode. By the employment of metal–organic‐framework‐based separators, each electrolyte can be well separated from corresponding electrodes. [ABSTRACT FROM AUTHOR]

Lining up like soldiers – dynamic control over the orientation of free‐standing MOF crystals in different fluid matrices has been achieved through magnetic alignment. Magnetically aligned NU‐1000 crystals were shown to display an anisotropic optical response to linearly polarized excitation, underscoring the importance of controlling MOF crystal orientation. For more information, see the Communication by J. M. Chin et al. on page 15578 ff. [ABSTRACT FROM AUTHOR]

Polycrystalline K2Ti8O17 is prepared by hydrothermal reaction of (BuO)4Ti and KOH in a 1:1 mixture of ethylene glycol and H2O (autoclave, 200 °C, 20 h) followed by calcination in air (700 °C, 12 h). [ABSTRACT FROM AUTHOR]