Atomistic understanding of capacity loss in LiNiO_(2)for high-nickel Li-ion batteries:First-principles study

Combining the first-principles calculations and structural enumeration with recognition,the delithiation process of LiNiO_(2)is investigated,where various supercell shapes are considered in order to obtain the formation energy of Li_(x)NiO_(2).Meanwhile,the voltage profile is simulated and the ordered phases of lithium vacancies corresponding to concentrations of 1/4,2/5,3/7,1/2,2/3,3/4,5/6,and 6/7 are predicted.To understand the capacity decay in the experiment during the charge/discharge cycles,deoxygenation and Li/Ni antisite defects are calculated,revealing that the chains of oxygen vacancies will be energetically preferrable.It can be inferred that in the absence of oxygen atom in high delithiate state,the diffusion of Ni atoms is facilitated and the formation of Li/Ni antisite is induced.

婴幼儿腹腔镜手术中二氧化碳气腹对米库氯铵作用时间的影响

目的探讨小儿腹腔镜手术二氧化碳CO_2气腹对米库氯铵作用时间的影响。方法选取全身麻醉气管插管下行择期腹股沟疝修补术的61例患儿,随机分为腹腔镜组(31例)和开腹组(30例)。静脉给予丙泊酚2.5 mg/kg、芬太尼2μg/kg及米库氯铵0.2 mg/kg进行麻醉诱导,术中吸入50%一氧化二氮N2O+50%氧气O_2+七氟醚维持麻醉,麻醉深度维持在1.2～1.4 MAC。使用肌松监测仪记录4个成串刺激(TOF);分别记录T_1完全消失时间(Ta)(即肌松药完全起效时间);T_1消失至T_1恢复到对照值25%的时间(Tb)(即肌松药有效作用时间)。检测手术前后24 h血浆胆碱酯酶(CHE)、谷丙转氨酶(ALT)、谷草转氨酶(AST)及总胆红素(TBIL)浓度。结果两组米库氯铵Ta、Tb比较,差异无统计学意义(P>0.05);两组术前、术后24 h的CHE、ALT、AST及TBIL浓度比较,差异无统计学意义(P>0.05)。结论婴幼儿CO_2气腹米库氯铵的完全起效时间和有效作用时间无影响。

Correlation between anti-fibrotic effect of baicalin and serum cytokines in rat hepatic fibrosis

AIM： To investigate the correlation between the antifibrotic effect of baicalin and serum cytokine production in rat hepatic fibrosis, METHODS： Forty male Sprague-Dawley rats were divided randomly into four groups： normal control group, model group, baicalin-treated group, and colchicine-treated group. Except for the normal control group, all rats in the other groups were administered with carbon tetrachloride to induce hepatic fibrosis. At the same time, the last two groups were also treated with baicalin or colchicine. At the end of the 8 wk, all animals were sacrificed. Serum alanine aminotransferase （ALl＇）, aspartate aminotransferase （AST）, transforming growth factor （TGF）-β1, tumor necrosis factor （TNF）-α, interleukin （IL）-6 and IL-10 were measured. Liver index, hepatic hydroxyproline content and the degree of liver fibrosis were also evaluated. RESULTS： The levels of ALT, AST and liver index in the baicalin-treated group were markedly lower than those in the model group （ALT： 143.88 ± 14.55 U/L vs 193.58± 24.35 U/L; AST： 263.66 ± 44.23 U/L vs 404.37± 68.29 U/L; liver index： 0.033 ± 0.005 vs 0.049± 0.009, P 〈 0.01）. Baicalin therapy also significantly attenuated the degree of hepatic fibrosis, collagen area and collagen area percentage in liver tissue （P 〈 0.01）. Furthermore, the levels of serum TGF-β1, TNF-α and IL-6 were strikingly reduced in the baicalin-treated group compared with the model group, while the production of IL-10 was up-regulated： （TGF-β1：260.21 ± 31.01 pg/mL vs 375.49 ± 57.47 pg/mL; TNF-α： 193.40±15.18 pg/mL vs 260.04 ± 37.70 pg/mL; IL-α：339.87 ± 72.95 pg/mL vs 606.47 ± 130.73 pg/mL; IL-10：506.22 ± 112.07 pg/mL vs 316.95 ± 62.74 pg/mL, P 〈 0.01）. CONCLUSION： Baicalin shows certain therapeutic effects on hepatic fibrosis, probably by immunoregulating the imbalance between profibrotic and antifibrotic cytokines.

(Z)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione protects rats from carbon tetrachloride-induced liver injury and fibrogenesis

AIM： To evaluate the hepatoprotective roles of （Z）- 5-（4-methoxybenzylidene）thiazolidine-2,4-dione （SKLB010） against carbon tetrachloride （CCI4）-induced acute and chronic liver injury and its underlying mecha- nisms of action.

Effect of traditional Chinese preparation Xuebijing on inflammatory markers in patients with ventilator-associated pneumonia

Objective:To observe the effect of Xuebijing,a complex traditional Chinese preparation,on inflammation and prognosis of patients with pneumonia.Methods:The patients with ventilator-associated pneumonia in the intensive care unit(ICU)were randomly divided into the control group and the treatment group with 35 cases in each group.Both groups were given routine treatment such as anti-inflammatory drugs,rehydration,expectorant,and nutritional support,while the treatment group was additionally given Xuebijing injection.Serum C-reactive protein(CRP),clinical pulmonary infection score(CPIS),acute physiology,and chronic health scoreⅡ(APACHEⅡ)were recorded before treatment,the 3rd and 7th day after treatment.The duration of antibiotic use,mechanical ventilation,ICU stay,and mortality during 28 days was recorded.Results:There was no significant difference in CRP,CPIS,and APACHEⅡbetween the two groups before treatment(P>0.05).The improvement of CRP,CPIS,and APACHEⅡin the treatment group was better than those in the control group on the 3 and 7 days after treatment,and the differences were statistically significant(P<0.05).The duration of antibiotic use,mechanical ventilation,and ICU stay in the treatment group were less than those in the control group(P<0.05).The 28-day mortality of the treatment group was lower than that of the control group,but the difference was not statistically significant(P>0.05).Conclusions:Xuebijing injection can improve the inflammatory indexes of patients with ventilator-associated pneumonia,and can partly improve the prognosis.

Effect of Eu^3+-doping on morphology and fluorescent properties of neodymium vanadate nanorod-arrays

Tetragonal structural(t-NdVO4)nanorod-arrays were fabricated by simple one-pot hydrothermal method.The phase,morphology and microstructure of NdVO4 were characterized by X-ray diffractometer,scanning electron microscope(SEM),transmission electron microscope(TEM),dispersive X-ray spectrometer(EDS)and selected area electron diffraction(SAED)techniques.t-NdVO4 nanorods are single-crystalline with a length of 100 nm and a diameter of 25 nm,which grow orientally along the direction of(112)crystalline plane and self-assemble to form nanorod-arrays.The results show that Eu^3+-doping interrupts the formation of NdVO4 nanorod-arrays,and then leads to the red-shift of the strongest luminescence emission of Nd3+transition from 4D3/2 state to 4I11/2 and decreases its intensity of the fluorescence emission at 400 nm sharply.The research results have some reference values to optimize the photoluminescence performance of rare earth vanadates.

Extreme precipitation over northern China in autumn 2021 and joint contributions of tropical and mid-latitude factors

Frequent heavy precipitation and severe flood disasters struck northern China in early autumn 2021,with seven provinces/municipalities surpassing their precipitation records since 1961.Causes for such extreme events from the climate perspective are unclear because the variability of autumn precipitation in northern China is poorly understood.This study revealed that the event was directly caused by the extremely north-westward location of the western Pacific subtropical high(WPSH),which was jointly induced by several tropical and mid-latitude factors.The developing La Niña and warmer than normal tropical Atlantic sea surface temperature altered the Pacific Walker Circulation and enhanced the convection over the tropical western Pacific.Meanwhile,the Madden-Julian Oscillation stagnated for a long time in its phases 3-5 in early autumn and contributed constructively to the active convection over the tropical eastern Indian Ocean and western Pacific.These effects altogether excited a lower-tropospheric cyclone anomaly to the west of the Philippines and shifted the WPSH northwestwards in early autumn.A mid-latitude cyclonic centre was also observed upstream of East Asia.It dispersed Rossby wave energy southeastwards in the form of cold air invasions.The resultant convergence of cold and dry air from the north with warm and moist air from the south together caused extreme precipitation over northern China in autumn 2021.Relevant conclusions can enhance our current understanding of the causes of autumn extreme precipitation events in northern China and improve our ability to predict such events and prevent resultant disasters.

S vacant CuIn_(5)S_(8) confined in a few-layer MoSe_(2) with interlayerexpanded hollow heterostructures boost photocatalytic CO_(2) reduction

The conversion of CO_(2)into CO,CH_(4)and other hydrocarbons through solar energy can alleviate the energy shortage problem.We design a novel photocatalyst with S defects CuIn_(5)S_(8)@MoSe_(2)hollow structure.The interlayerexpanded MoSe_(2)can increase the adsorption of intermediates.The unique hollow structure can improve the light utilization efficiency and the electron–holes separation.CuIn_(5)S_(8)with S vacancies in bimetallic sites has high selectivity and photocatalytic reduction of CO_(2)activity.Therefore,S vacant CuIn_(5)S_(8)confined in a few-layers MoSe_(2)with interlayer-expanded hollow heterostructures exhibit super performance for photocatalytic CO_(2)reduction.After 8-h light reaction,the outputs of CO and CH_(4)for the 15.3 wt%CuIn_(5)S_(8)@MoSe_(2)sample containing S vacancies(Vs)are 30.4 and 14.7 lmol·g^(-1),respectively.The mechanism is also investigated in detail through in situ Fourier transform infrared spectroscopy technology.

SYNTHESIS OF DOUBLE-HYDROPHILIC DOUBLE-GRAFTED COPOLYMERS PMA-g-PEG/PDMA AND THEIR PROTEIN-RESISTANT PROPERTIES

A series of double-hydrophilic double-grafted PMA-g-PEG/PDMA copolymers, which contained poly（methacrylate） （PMA） as backbone, poly（ethylene glycol） （PEG） and poly（N,N-dimethylacrylamide） （PDMA） as side chains synthesized successfully by using reversible addition-fragmentation chain transfer （RAFT） polymerization and atom transfer radical polymerization （ATRP）, were used as physical coatings for the evaluation of protein-resistant properties by capillary electrophoresis （CE）. Electroosmotic flow （EOF） measurement results showed that the PMA-g-PEG/PDMA copolymer coated capillaries could suppress electroosmotic mobility in a wide pH range （pH = 2.8-9.8） and EOF mobility decreased with the increase of copolymer molecular mass and PDMA content. At the same time, protein recovery, theoretical plate number of separation and repeatability of migration time demonstrated that antifouling efficiency was improved with the increase of molecular mass and PEG content.

An unprecedented dumbbell-shaped pentadeca-nuclear W-Er heterometal cluster stabilizing nanoscale hexameric arsenotungstate aggregate and electrochemical sensing properties of its conductive hybrid film-modified electrode

Cluster-based functional materials have made remarkable progress owing to their wonderful structures and distinctive physicochemical performances,one of on-going advancements of which is basically driven by synthetic chemistry of exploring and constructing novel nanosized gigantic polyoxometalate(POM)aggregates.In this article,an unprecedented nanoscale hexameric arsenotungstate aggregate Na_(9)K_(16)H_(4)[Er_(0.5)K_(0.5)(H_(2)O)_(7)][Er_(5)W10O_(2)6(H_(2)O)_(14)][B-α-AsW_(9)O_(33)]_(6)·102H_(2)O(1)has been synthesized by the combined synthetic strategy of simultaneously using the arsenotungstate precursor and simple tungstate material in a highly acidic aqueous solution.The{[Er_(5)W_(10)O_(26)(H_(2)O)_(14)][B-α-AsW_(9)O_(33)]6}31-polyanion in 1 consists of an intriguing dumbbell-shaped pentadeca-nuclear W-Er heterometal{Er_(5)W10O_(2)6(H_(2)O)_(14)}^(23+)cluster connecting six trilacunary[B-α-AsW_(9)O_(33)]^(9-)moieties,which has never been seen previously.Furthermore,through electropolymerization of 1 and pyrrole on the conductive substrate,a thickness-controllable and robust 1-PPY(PPY=polypyrrole)hybrid film was successfully prepared,which represents the first POM-PPY film assembled from high-nuclear lanthanide(Ln)encapsulated POM and PPY hitherto.The 1-PPY film-based electrochemical biosensor exhibits a favorable recognition performance for ochratoxin A in multiple media.This work not only provides a feasible combined synthetic strategy of the POM precursor and simple tungstate material for constructing complicated multi-Ln-inserted POM aggregates,but also offers a promising electrochemical platform constructed from POM-based conductive films for identifying trace biomolecules in complex environments.

Propanetricarboxylic acid ornamented multi-Ce^(Ⅲ) encapsulated phospho(Ⅲ) tungstate and its electrochemical sensing properties

A propanetricarboxylic acid ornamented multi-CeⅢencapsulated phospho(Ⅲ)tungstate[H_(2)N(CH_(3))_(2)]_(4)Na_(4)H_(2)[Ce_(4)(HP)W_(4)(H_(2)0)_(14)(H_(2)PTCA)_(2)O_(18)][(HPⅢ)_(2)W_(22)O_(76)]·16H_(2)O(1,H_(3)PTCA=1,2,3-propanetricarboxylic acid)was obtained by a facile one-step reaction of Na_(2)WO_(4)·2H_(2)O,H_(3)PO_(3),Ce(NO_(3))·6H_(2)O,itaconic acid(H2ICA)and dimethylamine hydrochloride.Notably,the polyanion of 1 possesses a neotype[(HP^(Ⅲ))_(2)W_(22)O_(76)]12-fragment and an unusual[HP^(Ⅲ)W_(4)O_(18)]^(8-)unit bridge d by fourCe^(3+)centers in the assistance of two H2PTCA-ligands.It is worth emphasizing that two H2PTCA-ligands simultaneously chelate with WⅥand CeⅢcenters.Furthermore,the composite of 1 and carboxyl-functionalized multi-walled carbon nanotube(CMCN)is utilized to modify glassy carbon electrode(GCE)to develop the 1@CMCN/GCE electrochemical sensor.The 1@CMCN/GCE electrochemical sensor displays potential sensing property toward detection of noradrenaline(NDL)with low limit of 2.10μmo1·L^(-1).This research will powerfully facilitate continuous investigations on rational design and in-depth development of structure-oriented rare-earth inserted phospho(Ⅲ)tungstates and tremendously promote their application developments in drug testing,clinical diagnosis,and food detection.

An assessment method of annual climatic status in China using extreme climate indices:2021 as an example

A proper assessment of annual climatic status(ACS)is conducive to rationally formulating disaster prevention and mitigation measures.The former definition of ACS lacks either information on extreme climate or an intuitive grade feature service to the public.The ACS defined in the National Standard of the People's Republic of China(GBACS)only considers the accumulated climate effects of each weighted 10-d temperature/precipitation anomaly in a year.Under global warming,the losses caused by extreme climate events often have a significant impact on the grades of ACS,but this impact cannot be reasonably reflected by GBACS.This study proposed the assessment of ACS using extreme climate indices(extreme climate-based ACS(ECACS))and compared it with GBACS.The results indicated that GBACS and ECACS can be used to evaluate the ACS from different angles.The ECACS is an important supplement to the GBACS,especially considering the years with frequently occurring extreme climate events.The sum of GBACS and ECACS is a reasonable and comprehensive way to evaluate the ACS.The empirical orthogonal function(EOF)analysis indicated a uniform mode(EOF1)and a dipole mode(EOF2)in GBACS and ECACS in China.The interannual variation characteristics of ECACS in northern and southern China(EOF2 pattern)are consistent with real climate features,which is conducive to providing better and more detailed regional information in the ACS forecast service.The results have essential instructive and application value for ACS assessment and government decision making.

The preparation of a novel polydopamine-graft-poly(2-methyl-2-oxazoline) protein-resistant coating and its applications in protein separation

A novel polydopamine-graft-poly（2-methyl-2-oxazoline） （PDA-g-PMOXA） coating was prepared by immobilizing poly（2-methyl-2-oxazoline） （PMOXA） onto material surfaces through polydopamine （PDA） anchored coating for the first time. And then, the chemical composition, hydrophilicity, and protein-resistant properties of the PDA-g-PMOXA coating were studied using X-ray photoelectron spectroscopy （XPS）, contact angel （CA） test, surface plasmon resonance （SPR）, and quartz crystal microbalance with dissipation （QCM-D） measurement. Finally, the coating was applied to the capillary inner surface for protein separation by capillary electrophoresis （CE）.