Spectral investigation on single molecular optoelectronics of ladder phenylenes.

Atomic chains and organic conjugated molecules are of great important research value in molecular optoelectronics, due to their special optoelectronic properties. The fully conjugated nature of ladder phenylenes (LPs) provide some unique properties that have potential applications in the fabrication of molecular electronics devices. Our results reveal optoelectronic properties apply density function theory and non-equilibrium green's function theory, including unit-dependent light absorption, Raman scattering, phonon energy band structure, the chemical potential dependent density of states, electrical conductivity, I-V curve, transmission spectrum, etc. Our research provides theoretical guidance for the regulation of light-harvesting regions based on LPs structures, and theoretical support for the design of nano-scale optoelectronic devices.

Organic photoredox catalytic amino-heteroarylation of unactivated olefins to access distal amino ketones.

Here we describe a metal-free amino-heteroarylation of unactivated olefins via organic photoredox catalysis, providing a concise and efficient approach for the rapid synthesis of various δ (ß, ε)-amino ketones under mild conditions. This protocol demonstrates that the new photocatalyst Cz-NI developed by our group has an excellent photoredox catalytic performance. Finally, a series of mechanistic experiments and DFT calculations indicate that this transformation undergoes a photoredox catalytic sequential radical addition/functional group migration process.

Dehydrogenation/(3+2) Cycloaddition of Saturated Aza-Heterocycles via Merging Organic Photoredox and Lewis Acid Catalysis.

Herein, we report a photoinduced dehydrogenation/(3+2) cycloaddition reaction by merging organic photoredox and Lewis acid catalysis, providing a straightforward and efficient approach for directly installing a benzofuran skeleton on the saturated aza-heterocycles. In this protocol, we also describe a novel organic photocatalyst (t-Bu-DCQ) with the advantages of a wider redox potential, easy synthesis, and a low price. Furthermore, the stepwise activation mechanism of dual C(sp3)-H bonds was demonstrated by a series of experimental and computational studies.

Organic photoredox catalytic α-C(sp3)-H phosphorylation of saturated aza-heterocycles.

A metal-free C(sp3)-H phosphorylation of saturated aza-heterocycles via the merger of organic photoredox and Brønsted acid catalyses was established under mild conditions. This protocol provided straightforward and economic access to a variety of valuable α-phosphoryl cyclic amines by using commercially available diarylphosphine oxide reagents. In addition, the D-A fluorescent molecule DCQ was used for the first time as a photocatalyst and exhibited an excellent photoredox catalytic efficiency in this transformation. A series of mechanistic experiments and DFT calculations demonstrated that this transformation underwent a sequential visible light photoredox catalytic oxidation/nucleophilic addition process.

Physical mechanisms of photoinduced charge transfer in neutral and charged donor-acceptor systems.

In this paper, we provide visualization methods to reveal the physical mechanisms of photoinduced charge transfer in neutral and charged donor-acceptor systems. These visualization methods use the charge density difference and transition density matrix, which can promote deeper understanding of photoinduced charge transfer in donor-acceptor systems.

Photoinduced charge transfer in quasi-one-dimensional polymers in two-photon absorption.

In this work, we theoretically investigate the structure and the transition characteristics of one- (OPA) and two-photon absorption (TPA) spectra of different length neutral and charged thiophene polymers. The effects and regulation of different charges on photoinduced charge transfer are discovered and their physical mechanisms are explained. We find that both the OPA and TPA spectra undergo a sizeable redshift after the charge is injected into the polymer, and the redshift after the positive charge injection is excellent. The alternating charge transfer that occurs in a two-photon transition of a charged system is derived from the alternating distribution of charge (dipole moment) in the dynamics of the system. To study the gradual behavior of infinite polymers, we also theoretically calculated the optical properties and electronic structures of infinitely long thiophene polymers under different electrical charge injections by a one-dimensional periodic model. The redshift of the OPA and TPA spectra is found to be due to orbital energy level movement.

[Microbial Community of Granular Sludge in an ANAMMOX-EGSB Reactor Under Saline Conditions].

High-throughput sequencing technology was used to investigate changes in the microbial community in granular sludge under salinity conditions of 0, 15, and 30 g·L-1 in an ANAMMOX-EGSB reactor under stable operation. The study found that when the influent salinity was increased to 15 g·L-1 and 30 g·L-1, the nitrogen removal performance of the reactor decreased slightly, but was restored with the extension of the running time. After the performance of the reactor became stable, the abundance of the ANAMMOX bacteria under the three salinity conditions was 10.33%, 20.90%, and 35.87%, of which Candidatus Kuenenia was the dominant genus. Planctomycetes, Proteobacteria, and Chloroflexi accounted for a high proportion in the granular sludge, and their cumulative abundance exceeded 80%, making them the dominant phyla of the reactor. Under saline conditions, the abundance of the Planctomycetes bacteria increased, the abundance of the Proteobacteria bacteria decreased, and the abundance of the Chloroflexi bacteria was relatively stable. Electron microscopy showed a large number of filamentous bacteria and extracellular polymers were present on the surface of the granular sludge under saline conditions. The increased abundance of the denitrifying bacteria enhanced the cooperative denitrification, the presence of aerobic microorganisms and denitrifying bacteria facilitated the maintenance of anaerobic conditions inside the reactor, and the increased abundance of Chloroflexi and Bacteroidetes was beneficial to maintain the stability of the granular sludge structure. These results showed that the ANAMMOX bacteria could be adapted to saline conditions by acclimation, and that the associated bacteria provided support for the function of the ANAMMOX bacteria under saline conditions.

Underlying mechanisms of ANAMMOX bacteria adaptation to salinity stress.

Dealing with nitrogen-rich saline wastewater produced by industries remains challenging because of the inhibition of functional microorganisms by high salinity. The underlying mechanisms of anaerobic ammonium-oxidizing bacteria (AnAOB) exposed to salinity stress should be studied to investigate the potential of anaerobic ammonium oxidation (ANAMMOX) for applications in such wastewater. In this study, the total DNA from granular sludge was extracted from an expanded granular sludge bed (EGSB) reactor operated at 0, 15 and 30 g/L salinity and subjected to high-throughput sequencing. The nitrogen removal performance in the reactor could be maintained from 86.2 to 88.0% at less than 30 g/L salinity level. The microbial diversity in the reactor under saline conditions was lower than that under the salt-free condition. Three genera of AnAOB were detected in the reactor, and Candidatus Kuenenia was the most abundant. The predictive functional profiling based on the Clusters of Orthologous Groups of proteins (COGs) database showed that the inhibition of AnAOB under saline conditions was mainly characterised by the weakening of energy metabolism and intracellular repair. AnAOB might adapt to salinity stress by increasing their rigidity and intracellular osmotic pressure. The predictive functional profiling based on the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway database revealed that the inhibition of AnAOB was mainly manifested by the weakening of intracellular carbohydrate and lipid metabolism, the blockage of intracellular energy supply and the reduction of membrane transport capacity. AnAOB might adapt to salinity stress by strengthening wall/membrane synthesis, essential cofactors (porphyrins) and energy productivity, enhancing intracellular material transformation and gene repair and changing its structure and group behaviour. The stability of the nitrogen removal performance could be maintained via the adaptation of AnAOB to salinity and their increased abundance.

Synthesis of superior fast charging-discharging nano-LiFePO4/C from nano-FePO4 generated using a confined area impinging jet reactor approach.

LiFePO4/C nanocomposites with excellent electrochemical performance is synthesized from nano-FePO4, generated by a novel method using a confined area impinging jet reactor (CIJR). When discharged at 80 C (13.6 Ag(-1)), the LiFePO4/C delivers a discharge capacity of 95 mA h g(-1), an energy density of 227 W h kg(-1) and a power density of 34 kW kg(-1).

Preliminary clinical study of regional cerebral blood flow and hemodynamics in patients with chronic cerebrovascular insufficiency / 中国医师杂志

Objective To explore the changes in regional cerebral blood flow(rCBF)and cerebral hemodynamics in patients with CCVI.Methods Twenty patients diagnosed as CCVI were enrolled to undergo single photon emission computed tomography(SPECT)rCBF imaging or transcranial Doppler uhrasonography(TCD)examination.All the patients were free from cerebral structural abnormalities as demonstrated by X-CT or magnetic resonance imaging(MRI).Cranial arteries blood flow velocity,pulsating index(PI)were measured by TCD and compared with the mean of rCBF as measured by SPECT.Results On SPECT images, decreased rCBF lesions were found in 95 percent of patients(19/20).The areas of hypoperfusion were mainly located in frontal,temporal,parietal lobes and fondues nodus.Increased cranial arteries blood flow velocity was found in the anterior cerebral artery(ACA)and middle cerebral artery(MCA)in 80 percent of patients (16/20).There were no correlations among rCBF,the decreased percentage of rCBF,average velocity,and PI of cranial arteries.Conclusions By performing SPECT rCBF and TCD on CCVI patients,the degree of changes in rCBF and hemodynamics Can be evaluated easily,which is valuable for early clinical diagnosis and treatment of CCVI.

Determination on adenosin of Safflower Injection by RP-HPLC / 中成药

Objective: To establish a RP HPLC method to determine the content of adenosin in safflower Injection. Methods: The sample was determined by RP HPLC with a Diamonsil TM C 18 column, UV detection wavelength was at 270nm. adenosin used as an external standard and CH 3OH 1% HAC as a mobile phase. Results: The average recovery was 101.86%, RSD was 1.34%. Conclusion: The method is simple and accurate. It can be used to control the quality of Honghua Injection.

Analysis of Saussurea involucrata Kar. et Kir.from different sources by HPLC-FPS / 中成药

Objective:To study comparatively HPLC FPS of seven kinds of snowlotus, Saussurea involucrata Kar. et Kir. from different sources of Xinjian area. Methods: HPLC fingerprint analytical method of Snowlotus, from Urumqi was developed, and the HPLC FPS of seven samples were established. Results: The methodological evaluation showed that this method had a good repeatability, and the ratio of common peaks area of different samples were different. Conclusion: The method can be used to distinguish Snowlotus from different sources conveniently.