Elastic electron scattering with formamide-(H2O)n complexes (n=1, 2): Influence of microsolvation on the π* and σ* resonances

We report elastic cross sections for low-energy electron scattering with formamide-(H₂O)_n complexes (n=1, 2) in the energy region of 0.01-8 eV. The scattering calculations are performed using the R-matrix method in the static-exchange (SE) approximation. We consider three structures of formamide-H₂O and six structures of formamide-(H₂O)₂ in the present work. Our purpose is to investigate effects of water molecules hydrogen-bonding to formamide. We focus on the influence of microsolvation on the π^* and σ^* resonances of formamide. The scattering result for complexes shows that the position of π^* resonance appears at lower or higher energies in the cluster than in the isolated formamide depending on the complex structure and the water role in the hydrogen bonding. We explain this behavior according to the net charge of the solute. It is found that the microsolvation environment has a substantial effect on the width of π^* resonance. Our results indicate that surrounding water molecules may affect the lifetime of the resonances, and hence the process is driven by the anion state, such as the dissociative electron attachment.     

Applicability of ~9Be global optical potential to reactions of ~(7,10,11,12)Be

Elastic scattering angular distributions and total reaction cross-sections of ~(7,10,11,12)Be projectiles are predicted by the systematic ~9 Be global phenomenological optical model potential for target mass numbers ranging from24 to 209. These predictions provide a detailed analysis by their comparison with the available experimental data.Furthermore, these elastic scattering observables are also predicted for some targets out of the mass number range.The results are in reasonable agreement with the existing experimental data, and they are presented in this study.     

Palladium‐catalysed room‐temperature Suzuki–Miyaura coupling in water extract of pomegranate ash,a bio‐derived sustainable and renewable medium

An agro waste‐derived, ‘water extract of pomegranate ash’ (WEPA), has been utilized for the first time as a renewable medium for Pd(OAc)₂‐catalysed Suzuki–Miyaura cross‐coupling at room temperature. This method offers a simple and sustainable synthesis of biaryls from aryl halides and arylboronic acids under ligand‐ and external base‐free aerobic and ambient conditions. This method has been found effective for both activated and unactivated aryl halides in the production of biaryls with moderate to nearly quantitative yields. The protocol shows high chemoselectivity over identical/similar reactive sites in aryl halides (i.e. selectivity over identical halogens or different halogens of aryl halides). This method exhibits high regioselectivity, i.e. the selective reactivity of a halogen over other identical halogens at different positions on the aromatic nucleus. Therefore, we disclose here a clean, benign, substantial chemo‐ and regioselective and highly economic alternative method for the palladium‐assisted synthesis of biaryls using an agro waste‐derived medium.     

Enantioselective LC‐ESI‐MS/MS determination of dropropizine enantiomers in rat plasma and application to a pharmacokinetic study

We developed and validated a simple, sensitive, selective and reliable LC–ESI‐MS/MS method for direct quantitation of dropropizine enantiomers namely levodropropizine (LDP) and dextrodropropizine (DDP) in rat plasma without the need for derivatization as per regulatory guidelines. Dropropizine enantiomers and carbamazepine (internal standard) were extracted from 50 μL rat plasma using ethyl acetate. LDP and DDP resolved with good baseline separation (R_s = 4.45) on a Chiralpak IG‐3 column. The mobile phase consisted of methanol with 0.05% diethylamine pumped at a flow rate of 0.5 mL/min. Detection and quantitation were done in multiple reaction monitoring mode following the transitions m/z 237 → 160 and 237 → 194 for dropropizine enantiomers and the internal standard, respectively, in the positive ionization mode. The proposed method provided accurate and reproducible results over the linearity range of 3.23–2022 ng/mL for each enantiomer. The intra‐ and inter‐day precisions were in the ranges of 3.38–13.6 and 5.11–13.8 for LDP and 4.19–11.8 and 8.89–10.1 for DDP. Both LDP and DDP were found to be stable under different stability conditions. The method was successfully used in a stereoselective pharmacokinetic study of dropropizine enantiomers in rats following oral administration of racemate dropropizine at 100 mg/kg. The pharmacokinetic results indicate that the disposition of dropropizine enantiomers is not stereoselective and chiral inversion does not occur in rats.     

Validated HPLC method for simultaneous quantification of mutant IDH1/2 inhibitors (enasidenib,ivosidenib and vorasidenib) in mouse plasma: Application to a pharmacokinetic study

Isocitrate dehydrogenase (IDH) inhibitors comprise a novel class of anticancer drugs, which are approved to treat acute myeloid leukemia patients having mutations on IDH1/2. We report the development and validation of a high‐performance liquid chromatography (HPLC) method for the simultaneous quantitation of IDH inhibitors, namely enasidenib (EDB), ivosidenib (IDB) and vorasidenib (VDB), in mouse plasma as per the US Food and Drug Administration regulatory guidelines. The method involves extraction of EDB, IDB and VDB along with internal standard (IS; phenacetin) from mouse plasma (100 μl) using a simple protein precipitation process. The chromatographic analysis was performed on an HPLC system using a gradient mobile phase (comprising 10 mm ammonium acetate and acetonitrile in a flow‐gradient) and an X‐Terra Phenyl column. The UV detection wave length was set at λ_max 265 nm. EDB, IDB, VDB and the IS eluted at 7.36, 8.60, 9.50 and 5.12 min, respectively, with a total run time of 10 min. The calibration curve was linear over a concentration range of 0.20–12.5 μg/ml for EDB and 0.50–12.5 μg/ml for IDB and VDB (r² = ≥0.998 for all of the analytes). Validation results met the acceptance criteria. The validated HPLC method was successfully applied to a pharmacokinetic study in mice.     

反导火力单元空间杀伤区内拦截概率研究

拦截概率是评价反导作战效能的重要指标,对交战前任务规划至关重要。选取某一拦截弹建立其在空间的可达集区域,针对中段反导逆轨拦截情况,确立其在空间中的杀伤区。针对杀伤区内任一点可能为拦截点的情况,对某一来袭导弹的弹道轨迹,选取可拦截弧段上的理论拦截点,通过在选取不同高度上的理论拦截点上,调整拦截弹的发射位置,从而得到拦截点在杀伤区内不同高度,不同距离以及在不同的交汇角时对拦截概率的影响。为反导作战的阵地部署研究和交战策略提供了一定的参考。     

Cross‐linking and properties of rubber magnetic composites cured with different curing systems

Rubber magnetic composites were prepared by incorporation of strontium ferrite into rubber compounds based on acrylonitrile butadiene rubber and ethylene propylene diene monomer rubber. The sulfur, peroxide, and mixed sulfur/peroxide curing systems were introduced as cross‐linking agents for rubber matrices. The aim was to investigate the influence of curing system composition on curing process and cross‐link density of composite materials. Then, static and dynamic mechanical properties and thermal and magnetic characteristics were investigated in relation to the cross‐link density of rubber magnetic composites and structure of the formed cross‐links. The changes of dynamical and physicomechanical properties were in close correlation with the change of cross‐link density, whereas the tensile strength of magnetic composites showed increasing trend with increasing amount of peroxide in mixed curing systems. On the other hand, thermal conductivity and magnetic characteristics were found not to be dependent on the curing system composition.