Direct Recycling of Spent NCM Cathodes through Ionothermal Lithiation

Ionic liquids (ILs) are a family of nonconventional molten salts that offer many advantages, such as negligible vapor pressures, negligible flammability, wide liquidus ranges, good thermal stability, and much synthesis flexibility. The unique solvation environment of these ILs provides new reaction or flux media for controlling formation of solid‐state materials with a minimum perturbation of morphologies. A successful lithiation via ionothermal synthesis using a cost‐effective Li halide as Li source and recyclable ILs as solvents is reported here for the direct recycling of LiNi_1/3Co_1/3Mn_1/3O₂ (NCM 111) cathodes. In addition, the ionic liquids can be readily recycled and reused after ionothermal lithiation. The lithiation of spent cathodes can enable the direct recycling of spent cathode materials in lithium‐ion batteries.     

Synthesis and biological evaluation of novel 3-benzylcoumarin-imidazolium salts

A series of novel 3-benzylcoumarin-imidazolium salts were prepared and evaluated in vitro against a panel of human tumor cell lines. The results showed that the existence of 5,6-dimethyl-benzimidazole ring and substitution of the imidazolyl-3-position with a naphthylacyl group were vital for modulating cytotoxic activity. Notably, compound 38 was found to be the most potent derivative with IC₅₀ values of 2.04–4.51 μM against five human tumor cell lines, while compound 34 were more selective to SW-480 cell lines with IC₅₀ value 40.0-fold lower than DDP. Mechanism of action studies indicated that compound 38 can cause the G0/G1 phase cell cycle arrest and apoptosis in SMMC-7721 cell lines.     

Thiophene bioisosteres of GluN2B selective NMDA receptor antagonists: Synthesis and pharmacological evaluation of [7]annuleno[b]thiophen-6-amines

Thiophene bioisosteres of potent GluN2B receptor negative allosteric modulators were prepared and evaluated pharmacologically. The five-step synthesis of 4,5,7,8-tetrahydro[7]annuleno[b]thiophen-6-one (10) was considerably improved by carboxylation of thiophene-3-carboxylic acid (8) in the first reaction step. Reductive amination and alkylation led to three homologous series of secondary and tertiary phenylalkylamines 5, 11 and 12. Metalation, reaction with 1-formylpiperidine and subsequent reduction provided hydroxymethyl derivatives 15 and 16, which had been designed as bioisosteres of phenols. 2-Bromo derivatives 18 were obtained by bromination of ketone 10 with NBS and subsequent reductive amination. High GluN2B affinity was achieved with [7]annuleno[b]thiophenes bearing a 3-phenylpropylamino or 4-phenylbutylamino moiety (e.g. 5c: K_i = 5.9 nM; 11d: K_i = 9.0 nM). Tertiary ethylamines 12 showed lower GluN2B affinity than tertiary methylamines 11 or secondary amines 5 (e.g. 5c: K_i = 5.9 nM; 11c: K_i = 6.0; 12c: K_i = 51 nM). A Br-atom or a hydroxymethyl moiety in 2-position were less tolerated by the GluN2B receptor. Very similar relationships between the structure and GluN2B affinity and structure and σ affinity, in particular σ₂ affinity, were detected. A slight preference for the ifenprodil binding site of GluN2B receptors over σ₁ and σ₂ receptors was found for methylamines 11c (≈2-fold) and 11d (≈1.5–2-fold) as well as for bromo derivative 18c (≈3-fold).     

A bicyclic pentapeptide-based highly potent and selective pan-SIRT1/2/3 inhibitor harboring Nε-thioacetyl-lysine

Past few years have seen an active pursuit of the inhibitors for the deacylation catalyzed by the seven human sirtuins (i.e. SIRT1-7) as valuable chemical biological/pharmacological probes of this enzymatic deacylation and lead compounds for developing novel therapeutics for human diseases. In the current study, we prepared eight monocyclic and one bicyclic analogs of a linear pentapeptide-based potent (sub-μM IC₅₀’s) pan-SIRT1/2/3 inhibitor Zheng laboratory discovered recently that harbors the catalytic mechanism-based SIRT1/2/3 inhibitory warhead N^ε-thioacetyl-lysine at its central position. We found that the bicyclic analog exhibited largely comparable SIRT1/2/3 inhibitory potencies to those of the parent linear pentapeptide, however, the former is proteolytically much more stable than the latter. Moreover, the bicyclic analog displayed very weak inhibition against SIRT5/6/7, was cell permeable, and exhibited an anti-proliferative effect on the human SK-MEL-2 melanoma cells. This bicyclic analog could be a lead for the future development of more potent and still selective pan-SIRT1/2/3 inhibitors whose use in studies on human sirtuin biology, pharmacology, and medicinal chemistry could complement with the use of the potent inhibitors selective for a single human sirtuin.     

Scale‐dependent effects of neighborhood biodiversity on individual tree productivity in a coniferous and broad‐leaved mixed forest in China

The relationship between biodiversity and productivity has stimulated an increasing body of research over the past decades, and this topic still occupies a central place in ecology. While most studies have focused on biomass production in quadrats or plots, few have investigated the scale‐dependent relationship from an individual plant perspective. We present an analysis of the effects of biodiversity (species diversity and functional diversity) on individual tree growth with a data set of 16,060 growth records from a 30‐ha temperate forest plot using spatially explicit individual tree‐based methods. A significant relationship between species diversity and tree growth was found at the individual tree level in our study. The magnitude and direction of biodiversity effects varies with the spatial scale. We found positive effects of species diversity on tree growth at scales exceeding 9 m. Individual tree growth rates increased when there was a greater diversity of species in the neighborhood of the focal tree, which provides evidence of a niche complementarity effect. At small scales (3–5 m), species diversity had negative effects on tree growth, suggesting that competition is more prevalent than complementarity or facilitation in these close neighborhoods. The results also revealed many confounding factors which influence tree growth, such as elevation and available sun light. We conclude that the use of individual tree‐based methods may lead to a better understanding of the biodiversity‐productivity relationship in forest communities.     

Length-weight relationships of six Nemacheilid fish species (Teleostei: Cypriniformes) from different rivers of Manipur,India

The length-weight relationships (LWRs) of six Nemacheilid species (Schistura chindwinica, S. fasciata, S. khugae, S. minuta, S. reticulata and S. rubrimaculata) have been analyzed. Fish samples were collected on quarterly basis from March 2018 to February 2019. Sampling was performed using cast nets (mesh size 5–10 mm; about 50 sq m area covered each time and water depth was 4 ft approx.), and electrofishing (Ultrasonic Inverter Electro Fisher, 24 volts, 4 m) in the day time. The total length (TL) of individual fish was measured to 0.1 cm with a digital caliper and body weights (BW) were measured to 0.001 g with digital electronic balances. The parameters for the LWR equations were calculated, and the respective statistics such as the 95% confidence interval for parameters “a” and “b” are provided as well as the coefficient of correlation. For five species a new maximum total length has been documented.     

Toward insights on antimicrobial selectivity of host defense peptides via machine learning model interpretation

Host defense peptides are promising candidates for the development of novel antibiotics. To realize their therapeutic potential, high levels of target selectivity is essential. This study aims to identify factors governing selectivity via the use of the random forest algorithm for correlating peptide sequence information with their bioactivity data. Satisfactory predictive models were achieved from out-of-bag prediction that yielded accuracies and Matthew's correlation coefficients in excess of 0.80 and 0.57, respectively. Model interpretation through the use of variable importance metrics and partial dependence plots indicated that the selectivity was heavily influenced by the composition and distribution patterns of molecular charge and solubility related parameters. Furthermore, the three investigated bacterial target species (Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus) likely had a significant influence on how selectivity was realized as there appears to be a similar underlying selectivity mechanism on the basis of charge-solubility properties (i.e. but which is tailored according to the target in question).     

长三角地区休闲游憩服务供需关系研究

依托生态空间的休闲游憩服务是提升人类福祉至关重要的贡献者。但由于经济发展、城市扩张、人口增长等因素,区域休闲游憩服务供需矛盾突出,且供给与需求在空间上错位、不匹配等问题严重。研究休闲游憩服务供需关系对合理规划、管理区域生态用地,促进生态文明建设等方面具有重要的理论和现实价值。以长三角为例,基于土地利用与人口数据,提出不同可达半径下区域休闲游憩服务供需关系的评价方法,研究41个地级市不同可达半径下供需关系的空间分异规律。研究结果表明：（1）2015年长三角地区休闲游憩服务的供需比为1028%,供给远大于需求,但供需关系空间异质性明显,高供给区与高需求区明显错位,空间不匹配问题严重。（2）随着可达半径由0 km扩大至50 km,区域赤字区面积占比由43.14%减少至7.83%,休闲游憩服务需求未得到满足的人口占比由65.47%下降至10.64%。（3）根据41个地级市不同可达半径下休闲游憩服务供需关系的演变规律,将其划分为5种类型区,提出相应的发展建议。研究表明,快速城市化和城市扩张过程中,应强化城区内绿色空间的分散化配置;同时,在长三角经济一体化发展过程中,休闲游憩服务供需的盈余区、赤字区可以建立生态补偿和经济合作关系,促进长三角绿色发展的一体化。     

High-altitude tree growth responses to climate change across the Hindu Kush Himalaya

兴都库什喜马拉雅地区高海拔树木生长对气候变化的响应 高海拔地区快速升温可能导致树木对温度响应更为敏感,而限制高海拔地区树木生长的关键气候因子以及气候变化对树木生长产生多大程度的影响尚不清楚。本研究在兴都库什喜马拉雅地区收集了73 个样点的树轮数据,包括3个优势属的树种(Abies属、Juniperus属和Picea属),样点海拔均在3000 m以上。 将时间动态规整(dynamic time warping)的方法用于建立亚区域年表,以考虑不同站点年表之间变化的同步 性。同时,定量分析了气候因子对树木生长的贡献以及树木生长与气候因子关系的时空动态。研究结果发现,73个站点年表可以聚为3类,且与其所处的生物气候区相对应,即西喜马拉雅地区,中东喜马拉雅地区和藏东南地区。在干旱的西喜马拉雅地区,树木生长与冬、春两季的降水呈正相关关系,而在湿润的藏东南地区,树木生长与冬季温度和春季降水呈正相关关系。树木生长受最低温度的影响最大,特别是冬季温度,其重要性从西到东呈现递增趋势。滑动窗口相关分析表明,在中西喜马拉雅地区,影响树木生长的冬季温度信号在减弱,然而在藏东南地区该信号随着1980年以来的快速升温而增强。本研究结果表明,若该地区升温持续,在西喜马拉雅地区可能会因变暖引起的水分亏缺而造成森林衰退,而在藏东南地区因树木生长得益于变暖而使得森林扩张。