Publications

Escalating rainstorm-induced flood risks in the Yellow River Basin, China

The warming climate-induced intensification of hydrological cycle is amplifying extreme precipitation and increasing flood risk at regional and global scales. The evaluation of flood risk, which depends on assessment indicators, weights, as well as data quality, is the first step toward mitigation flood disasters. In this study, we accepted ten risk assessment indicators concerning hazard of disaster-causing factors, sensitivity of hazard-forming environments, and vulnerability of disaster-bearing bodies. We used a combined weighting method based on the analytic hierarchy process and entropy weight (AHP-EW) technique to evaluate rainstorm-induced flood risks across the Yellow River Basin (YRB) from 2000 to 2018. We observed flood hazards are intensifying across the YRB. Specifically, areas with medium flood hazards expanded from the lower to the middle and upper YRB. The sensitivity to floods exhibited a spatial pattern of increasing from southeast to northwest (lower to upper YRB). The increase in vegetation coverage in the middle and upper reaches of the YRB reduces the sensitivity to flood disasters. Flood vulnerability shows an increasing trend, with higher vulnerability mainly observed in the middle and lower YRB. The overall flood risk in the YRB shows an increasing trend, with a 9-fold increase in flood risk from 2000 to 2018. Medium to high flood risk and vulnerability can mainly be identified in the middle and lower YRB, where population and gross domestic product are concentrated. The intensifying rainstorm-induced flood risks over urban areas in these regions should arouse public concern.

Kinetics & Mechanism of Alkaline Ferricyanide Oxidation of 2-Methylpentane-2,4-diol & Pentane-1,5-diol

No abstract is provided for this article.

CCDC 734619: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Radical‐Trapping and Hydroperoxide‐Decomposing Benzoselenazole Antioxidants with Potential Biological Applications against Oxidative Stress

The synthesis of variety of phenolic benzoselenazoles has been described. Phenolic benzoselenazoles with para‐substitution were synthesized from diselenides and aldehydes using acetic acid as a catalyst. All compounds have been tested for glutathione peroxidase (GPx)‐like antioxidant activity in thiophenol assay. Radical‐trapping antioxidant (RTA) activity of benzoselenazoles towards ROO• radicals has been studied for the inhibition of autoxidation of cumene in chlorobenzene from the O2‐consumption during the inhibited period. The compound 13c found to inhibit azo‐initiated oxidation of cumene with a stoichiometric factor (n) ≃ 2.2. This study has also suggested some insights into the substitution‐dependent activity of anilides over phenols as effective radical‐trapping antioxidants. Moreover, the zone of inhibition study corroborated the antimicrobial potential of the synthesized antioxidants against Bacillus subtilis (B. subtilis) and Pseudomonas aeruginosa (P. aeruginosa). Anti‐biofilm activities were portrayed against the production of biofilms by B. subtilis and P. aeruginosa. MDA‐MB‐231cell line was selected for triple‐negative breast carcinoma for in vitro cytotoxicity of all antioxidants using the MTT assay. Moreover, the interaction patterns of antioxidants with target proteins of B. subtilis and P. aeruginosa were demonstrated using molecular docking study. Molecular dynamics simulations were deployed to investigate the structural dynamics and the stability of the complex.

CCDC 734617: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Turning Pyridoxine into a Catalytic Chain-Breaking and Hydroperoxide-Decomposing Antioxidant

Vitamin B6 is involved in a variety of enzymatic transformations. Some recent findings also indicate an antioxidant role of the vitamin in biological systems. We set out to turn pyridoxine (1a) into a catalytic chain-breaking and hydroperoxide-decomposing antioxidant by replacing the 2-methyl substituent with an alkyltelluro group. Target molecules 12 and derivatives 14, 17, 18, and 20 thereof were accessed by subjecting suitably substituted 2-halopyridin-3-ols to aromatic substitution using sodium alkanetellurolates as nucleophiles and then LAH-reduction of ester groups. The novel pyridoxine compounds were found to inhibit azo-initiated peroxidation of linoleic acid an order of magnitude more efficiently than α-tocopherol in a water/chlorobenzene two-phase system containing N-acetylcysteine as a reducing agent in the aqueous phase. The most lipid-soluble pyridoxine derivative 20c was regenerable and could inhibit peroxidation for substantially longer time (>410 min) than α-tocopherol (87 min). The chalcogen-containing pyridoxines could also mimic the action of the glutathione peroxidase enzymes. Thus, compound 20a catalyzed reduction of hydrogen peroxide three times more efficiently than Ebselen in the presence of glutathione as a stoichiometric reducing agent.

Experimental and Theoretical Vibrational Spectroscopic Analysis of Etoricoxib

Etoricoxib is one of the non-steroidal anti-inflammatory drug used primarily in the treatment of various types of arthritis. In this work, the vibrational analysis of etoricoxib molecule has been presented using density functional theory calculations. Fourier transform Infra-red and Raman spectra of the inspected molecule have been reported in the regions 4000-400 cm-1 and 1800-100 cm-1, respectively. The observed bands have been compared with the calculated wavenumbers, yielding good agreement. To have a better understanding of the vibrational spectra of etoricoxib and to identify the key vibrational bands, the complete assignments of fundamental vibrations have also been performed on the basis of calculated vibrational wavenumbers and potential energy distribution analysis of the vibrational modes.

Spontaneous bilateral internal jugular vein thrombosis: a sign of metastasis

Head and neck swellings are common referrals to the otolaryngology department, with a wide range of aetiologies. Internal jugular vein thrombosis presenting as swelling in the neck is a rare occurrence. The authors report a case of bilateral internal jugular vein thrombosis secondary to malignant lymphadenopathy of unknown origin. The patient presented with a short history of a diffuse swelling in the neck with neck stiffness. Examination revealed palpable cervical and axillary lymphadenopathy. Causes of spontaneous internal jugular vein thrombosis were discussed.

River Basin Planning and Management

No abstract is provided for this article.

Peripheral and central activation of nitric oxide-cyclic GMP pathway by sildenafil

Experimental studies have indicated the importance of cAMP and cGMP in modulation of peripheral sensory neurons leading to hyperalgesic response. The conce

ChemInform Abstract: Synthesis of Novel Heterocycles Containing Se—O/Se—N Linkages: Role of Intramolecular Coordination

Review: 62 refs.

CCDC 808891: Experimental Crystal Structure Determination

Improving Monthly Streamflow Prediction by Deep Learning Model With Physics‐Based Rules

Prediction of monthly streamflow is of great importance for water resources management and reservoir operation. Deep learning has evolved into a budding tool for making hydrological predictions and has achieved promising progress in hydro‐science. However, the lack of physical mechanisms in deep learning restricts its operational applications and limits its extrapolation to unobserved processes. To address this issue, this study developed a hybrid model imparting hydrological knowledge to DL (named P‐DNN) for streamflow forecasting. Specifically, P‐DNN combines the understanding of processes imbued in the conceptual hydrological model with the predictive abilities of state‐of‐the‐art DL models by designing a special architecture containing several modules to simulate the rainfall‐runoff hydrological processes. Also, to reinforce the physical import of DL models, mass conservation is incorporated into the loss function in P‐DNN to penalise the violations of water balance. The illustrative cases of streamflow prediction in both upper and middle reaches of the Yangtze River basin demonstrate that the integration of scientific knowledge into the deep learning model has enhanced prediction accuracy and intelligence for inferring unobserved processes. Overall, this study suggests that the hybrid model shows promise for improving forecasting of many important hydrological variables and potential to improve the DL awareness of hydrological understanding.

Inhibition of LRRK2 kinase activity promotes anterograde axonal transport and presynaptic targeting of α-synuclein

Pathologic inclusions composed of α-synuclein called Lewy pathology are hallmarks of Parkinson's Disease (PD). Dominant inherited mutations in leucine rich repeat kinase 2 (LRRK2) are the most common genetic cause of PD. Lewy pathology is found in the majority of individuals with LRRK2-PD, particularly those with the G2019S-LRRK2 mutation. Lewy pathology in LRRK2-PD associates with increased non-motor symptoms such as cognitive deficits, anxiety, and orthostatic hypotension. Thus, understanding the relationship between LRRK2 and α-synuclein could be important for determining the mechanisms of non-motor symptoms. In PD models, expression of mutant LRRK2 reduces membrane localization of α-synuclein, and enhances formation of pathologic α-synuclein, particularly when synaptic activity is increased. α-Synuclein and LRRK2 both localize to the presynaptic terminal. LRRK2 plays a role in membrane traffic, including axonal transport, and therefore may influence α-synuclein synaptic localization. This study shows that LRRK2 kinase activity influences α-synuclein targeting to the presynaptic terminal. We used the selective LRRK2 kinase inhibitors, MLi-2 and PF-06685360 (PF-360) to determine the impact of reduced LRRK2 kinase activity on presynaptic localization of α-synuclein. Expansion microscopy (ExM) in primary hippocampal cultures and the mouse striatum, in vivo, was used to more precisely resolve the presynaptic localization of α-synuclein. Live imaging of axonal transport of α-synuclein-GFP was used to investigate the impact of LRRK2 kinase inhibition on α-synuclein axonal transport towards the presynaptic terminal. Reduced LRRK2 kinase activity increases α-synuclein overlap with presynaptic markers in primary neurons, and increases anterograde axonal transport of α-synuclein-GFP. In vivo, LRRK2 inhibition increases α-synuclein overlap with glutamatergic, cortico-striatal terminals, and dopaminergic nigral-striatal presynaptic terminals. The findings suggest that LRRK2 kinase activity plays a role in axonal transport, and presynaptic targeting of α-synuclein. These data provide potential mechanisms by which LRRK2-mediated perturbations of α-synuclein localization could cause pathology in both LRRK2-PD, and idiopathic PD.

Sensitivity Analysis of Runoff Model by SWAT to Meteorological Parameters: A Case Study of Kasillian Watershed, Mazandaran, Iran

To design and construct mosthydraulic structures, e.g.dams, it is essential to determine watershed runoff.If a watershed lacks any gaging station, thenhydrologic models can be utilized to estimate runoff.The Soil Water Assessment Tool (SWAT) is one of the most widelyusedcomputerwatershed models.In this model, we need to input meteorological data, such as precipitation, temperature, wind speed, solar radiation, and relative humidity;as well as watershed data, including curvenumberandroughness coefficient, to calculate the watershed runoff.Some watershedshave weather stations, but there is a risk that the recordeddataof a station do not represent the whole watershed and the use of such data may cause error.Consequently, the error of estimated runoff error needs to be determined.This study deals with the sensitivity of runoff estimatedusing the SWAT model to the variations in meteorological parameters, such as precipitation, solar radiation, wind, humidity, and temperature.Results indicate that with a 30% decrease in the average monthly precipitation, sunshine, relative humidity, wind and temperature, we witness,respectively,a 64.27% decrease, 114.67% increase, 45.93% decrease, 126.12% increase, and 39.21% increase in the estimated runoff.. Runoff estimation is found to be most sensitive to wind speed and solar radiation,and least sensitive to temperature.

CCDC 752529: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 2202777: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects

<italic>N</italic>-Methyl ebselenamines carrying an aminic group in very close proximity to selenium as excellent chain-breaking and glutathione peroxidase-like antioxidants could reduce the production of ROS in C6 astroglial cell lines with minimal toxic effects.