Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

A systematic study on the first excited-state proton transfer (ESPT) in 2RAI-H₂O (R = OH, OCH₃, CN, NO₂, CHO) complexes in solution were investigated at the TD-M06-2X/6-31 + G(d, p) level. The double proton transfer occurred in an asynchronous but concerted protolysis fashion no matter which substituent R was used at C₂ position in pyrrole ring in the 7AI-H₂O complex. The specific vibrational-mode of ESPT in the model systems was confirmed and contributed to promote the reaction rate by shortening the reaction path. The substituent effects of different groups on the ESPT thermodynamics and kinetics were discussed. It was obvious that the geometries, barrier height, asynchrony, and specific vibration-mode of excited-state proton transfer changed with the different substituent groups.

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Graphical Abstract The distance between two neighboring heavy atoms such as N₁-O₁₁ (R₁) and O₁₁-N₈ (R₂) distances played an important role in the proton transfer reaction. The sum of the N₁-O₁₁ and O₁₁-N₈ distances in the reactant of 2RAI-H₂O (R=H, OH, OCH₃; CN, CHO, NO₂) complexes is in the range of 5.542 Å~5.692 Å and changes along with the substituent group at C₂ position in the pyrrole ring. The ESDPT barrier height and the sum of the N₁-O₁₁ and O₁₁-N₈ distances have a good correlation.

     

骨髓间充质干细胞向肝细胞分化的相关细胞因子及信号通路的研究进展

骨髓干细胞包括造血干细胞（HSCs）和间充质干细胞（MSCs）,骨髓间充质干细胞（BMSCs）是一类具有自我更新、增殖和多向分化能力的细胞,具有不对称分裂和无限增殖的特点。在肝细胞生长因子（HGF）的作用下,BMSCs可以分化为肝细胞,参与诱导这一分化过程的相关信号通路包括NF-kB信号通路、Notch信号通路、MAPK信号通路、Wnt信号通路和STAT3信号通路。文章主要就BMSCs分化为肝细胞的相关信号通路进行了综述。     

Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics

We have developed a first generation of hybrid sparsomycin-linezolid compounds into a new family of orally bioavailable biaryloxazolidinones that have activity against both linezolid-susceptible and -resistant gram-positive bacteria as well as the fastidious gram-negative bacteria Haemophilus influenzae and Moraxella catarrahalis. The convergent synthesis of these new compounds is detailed.     

Peptoids advance multidisciplinary research and undergraduate education in parallel: Sequence effects on conformation and lipid interactions

Peptoids are versatile peptidomimetic molecules with wide-ranging applications from drug discovery to materials science. An understanding of peptoid sequence features that contribute to both their three-dimensional structures and their interactions with lipids will expand functions of peptoids in varied fields. Furthermore, these topics capture the enthusiasm of undergraduate students who prepare and study diverse peptoids in laboratory coursework and/or in faculty led research. Here, we present the synthesis and study of 21 peptoids with varied functionality, including 19 tripeptoids and 2 longer oligomers. We observed differences in fluorescence spectral features for 10 of the tripeptoids that correlated with peptoid flexibility and relative positioning of chromophores. Interactions of representative peptoids with sonicated glycerophospholipid vesicles were also evaluated using fluorescence spectroscopy. We observed evidence of conformational changes effected by lipids for select peptoids. We also summarize our experiences engaging students in peptoid-based projects to advance both research and undergraduate educational objectives in parallel.     

Differences in diversity and community assembly processes between planktonic and benthic diatoms in the upper reach of the Jinsha River,China

Hydrobiologia - Comparing spatio-temporal patterns between planktonic and benthic algae is helpful for understanding their associations and differences. However, such studies are still rare...     

中天山地区草地地表辐射收支演变规律

地表辐射对研究地表能量平衡及气候形成机制具有重要意义。利用中天山乌拉斯台地区陆气相互作用观测站2018年5月至2019年4月地表辐射数据,分析了中天山草地不同时间尺度和不同天气条件下的地表辐射与反照率变化特征。结果表明：(1)地表辐射月平均日变化除大气长波辐射较弱外,其余分量均呈单峰型,极值大小及时间存在差异,太阳总辐射与净辐射最大日峰值均出现在6月,为920.9与603.3 W/m~2,大气与地表长波辐射分别出现在7月和8月,为327.5 W/m~2与471.7 W/m~2,而反射短波辐射则出现在2月,为520.6 W/m~2。(2)太阳总辐射、反射短波辐射、大气与地表长波辐射年曝辐量分别为6860.62、2101.72、7171.25、10089.69 MJ/m~2;就季节变化而言,反射短波辐射曝辐量在冬季明显高于其它季节,其它分量则均表现为夏季>春季>秋季>冬季。(3)不同月份地表反照率日变化均呈“U”型曲线,年均值为0.393,最大与最小月均值分别出现在12月与8月,为0.760与0.217。这种变化体现在季节上则为冬季>秋季>春季>夏季。(...     

生态恢复对石漠化地区土壤有机碳累积特征及其机制的影响

为从土壤碳组分对团聚体及其结合有机碳的影响的角度去解析生态恢复下土壤有机碳积累特征及其机制,以典型干热河谷石漠化地区生态恢复措施（次生林,15-20a;花椒林,15-20a）和对照耕地（>50 a）为研究对象,测定0-10 cm和10-20 cm土层土壤有机碳（SOC）、颗粒有机碳（POC）、易氧化有机碳（EOC）、矿物结合有机碳（MOC）、非活性有机碳（NLOC）、团聚体、团聚体有机碳含量,研究了生态恢复对SOC及组分、团聚体以及团聚体有机碳的影响。结果表明：①与耕地相比,生态恢复显著增加0-20 cm土层SOC及组分的含量与储量（MOC除外）,含量与储量的增幅范围为10.4%-151.7%和6.3%-134.5%,其中POC、EOC含量和储量增幅最大,且POC、EOC与SOC相关性较强;②生态恢复显著提高>2 mm团聚体数量、MWD和MGD,其中以次生林0-10 cm土层的增幅最大（379.3%、172.0%、265.2%）;③生态恢复显著增加各粒径团聚体有机碳含量,团聚体有机碳含量增幅随团聚体粒径增大而减小,然而生态恢复后>2 mm团聚体有机碳贡献率显著上升,<2 mm团聚体有机碳贡献率显著减小,土壤团聚体对有机碳的贡献率转为以>2 mm团聚体贡献为主,且>2 mm团聚体数量的显著增加是>2 mm团聚体有机碳贡献率高的主要原因;④土壤SOC、POC、EOC、NLOC与>2 mm团聚体数量、MWD、MGD、>2 mm团聚体有机碳贡献率显著正相关（P<0.05）,其中POC、EOC与这些指标的相关性较强（P<0.01）。此外,从土壤有机碳及组分、团聚体数量及稳定性、>2 mm团聚体有机碳贡献率的增幅来看,自然恢复措施（次生林）较人工种植恢复措施（花椒林）增幅较大。     

耻垢分枝杆菌EF-G敲低菌株的构建和耐药分析北大核心CSCD

GTPase延伸因子G(elongation factor G,EF-G)是蛋白质翻译过程中重要的翻译因子。作为唯一在翻译延伸和核糖体再生2个翻译环节发挥重要功能的翻译因子,EF-G成为潜在的抗菌药物作用靶点。耻垢分枝杆菌(Mycobacterium smegmetics,Msm)和结核分枝杆菌(Mycobacterium tuberculosis,Mtb)基因组中均存在2个EF-G同源编码基因,分别为Msm EFG1(MSMEG_1400)和Msm EFG2(MSMEG_6535),fusA1(Rv0684)和fusA2(Rv0120c)。基因突变库和生物信息学推测Msm EFG1(MSMEG_1400)和fusA1(Rv0684)是生长必需基因。为探究分枝杆菌中EF-G的生物学功能及特点,利用成簇的规律间隔的短回文重复序列干扰(clustered regularly interspaced short palindromic repeats interference,CRISPRi)技术构建了耻垢分枝杆菌中2个EF-G诱导型敲低菌株(Msm-ΔEFG1(KD)和Msm-ΔEFG2(KD)),研究发现EF-G2的敲低对细菌生长无影响,而EF-G1的敲低显著影响分枝杆菌的生长,成膜能力显著减弱、菌落形态显著变化、菌体长度显著增长,推测EF-G可能与细菌的分裂相关。最低抑菌浓度(minimal inhibitory concentration,MIC)实验结果表明,抑制EF-G1的表达可增强分枝杆菌对利福平、异烟肼、红霉素、夫西地酸、卷曲霉素等抗菌药物的敏感性,提示EF-G1可能成为未来抗结核药物筛选的潜在靶标,为探究EF-G在分枝杆菌中的生理功能及作为潜在药物靶标提供基础。     

板栗扦插生根过程的解剖结构和生理变化研究

以5年生和30年生板栗插穗以及30年生板栗母树不同月份(5、6、7月)插穗为材料,进行不同浓度(0、200和500mg/L)吲哚丁酸(IBA)处理,观测各类处理材料的生根情况,并对扦插前插穗(初始茎)和扦插后插穗愈伤组织的碳氮代谢物质、褐化相关物质和解剖学结构进行分析观察,探讨不同年龄母树及不同月份插穗扦插生根能力,为板栗扦插生根技术体系奠定理论基础。结果表明:(1)5年生板栗的初始茎和愈伤组织中碳氮代谢相关物质淀粉和可溶性糖含量明显高于30年生板栗,而其可溶性蛋白含量30年生高于5年生板栗,但其γ-氨基丁酸(GABA)含量在不同年龄母树间无明显变化;30年生板栗插穗初始茎中可溶性蛋白、GABA和可溶性糖含量均随着月份的增加而逐渐降低,但是在愈伤组织中GABA、可溶性糖和淀粉含量随着月份增加而逐渐升高。(2)板栗插穗初始茎和愈伤组织的褐化相关物质单宁、酚类和类黄酮含量均表现为30年生不同程度低于5年生;除类黄酮含量在7月份的愈伤组织中有显著升高外,不同月份板栗的单宁、酚类、类黄酮含量均没有明显变化。(3)生根状况及解剖学观察结果显示,5年生板栗插穗的愈伤率和生根率高于30年生的插穗,且30年生插穗6月份扦插的愈伤率最高;板栗插穗属于诱导生根类型,皮层中存在环状厚壁组织;5年生板栗插穗的木质素含量低于30年生板栗,但形成层细胞层数高于30年生。研究认为,板栗扦插生根过程中插穗褐化现象严重,生根率较低;不同年龄母树和不同月份的板栗插穗在扦插过程中的碳氮代谢相关化合物含量都有明显的差异,而褐化相关物质含量仅在不同年龄母树间有较大的差异,不同月份间大部分无明显差异。