Building 2D classification models and 3D CoMSIA models on small-molecule inhibitors of both wild-type and T790M/L858R double-mutant EGFR

Molecular Diversity - Epidermal growth factor receptor (EGFR) has received widespread attention because it is an important target for anticancer drug design. Mutations in the EGFR, especially the...     

Size effect of lead-free halide double perovskite on luminescence property

Lead-free halide double perovskites have gathered wide scientific interest since they are environmentally friendly and stable.However,compared to the lead perovskites,their optoelectronic properties are compromised.Herein we report a series of bulk lead-free mixed Bi-In halide double perovskites:Cs_2AgBi_(1-x)In_xCl_6(0x1).The Cs_2AgBi_(0.125)In_(0.875)Cl_6breaks the parity-forbidden transition and retains direct band gap structure,having warm-white light emission,with photoluminescence quantum efficiency(PLQE)of 70.3%,much higher than the PLQE of reported lead perovskite materials.Its exciton self-trapping dynamics is investigated.Meanwhile,the Cs_2AgBi_(0.125)In_(0.875)Cl_6nanocrystals and Cs_2AgBi_(0.125)In_(0.875)Cl_6microcrystals can be synthesized by modified hot injection and rapid cooling crystallization,respectively.The size effect of Cs_2AgBi_(0.125)In_(0.875)Cl_6is studied on the photoluminescence(PL)property.Additionally,the bulk material exhibits excellent stability on exposure to light,humidity and air for more than 3 months.It is a promising candidate as highly efficient warm white-light emitting material for road lighting.     

Two cubane-like [M4O4] {M = nickel(II), cobalt(II)} complexes: syntheses,crystal structures and magnetic properties

Transition Metal Chemistry - Two cubane-like complexes, namely [Ni4L4(HOEt)4] (1), [Co4L4(HOEt)4] (2) (H2L?=?(E)-2-((3-hydroxypropylimino)methyl)-6-methoxyphenol), were prepared under...     

Asymmetric Total Synthesis of (−)‐Kravanhin B

The first asymmetric total synthesis of kravanhin B has been accomplished with a linear reaction sequence of 13 steps starting from (R)‐(?)‐carvone. The synthesis features an intramolecular aldol cyclization to construct the desired cis‐fused decalin skeleton and an acid‐catalyzed dehydration and olefin isomerization to install the γ‐butenolide ring.     

Challenges in the Highly Selective [3 + 1]-Cycloaddition of an Enoldiazoacetamide to Form a Donor–Acceptor Cis-Cyclobutenecarboxamide

A substituted donor–acceptor cyclobutenecarboxamide is synthesized with modest enantiocontrol through a chiral copper(I) complex catalyzed [3 + 1]-cycloaddition reaction of α-acyl diphenylsulfur ylides with 3-siloxy-2-diazo-3-butenamides. With a methyl substituent on the 4-position of the 3-butenamide, the cis-vicinal-3,4-disubstituted cyclobutenecarboxamide is formed with >20:1 diastereocontrol. Donor-acceptor 3-methyl-2-siloxycyclopropenecarboxamide is rapidly formed from the reactant enoldiazoamide and undergoes catalytic ring opening to give only the Z-γ-substituted metallo-enolcarbene. Elimination from 3-siloxy-2-diazo-3-pentenamide to form the conjugated 3-siloxy-2,4-pentadienamide is competitive but minimized at low temperature.     

油楠树脂油化学成分的研究

采用毛细管气相色谱-质谱(CGC-MS)联用技术对油楠树脂油的化学成分进行研究,共分离出42个峰,并确认了其中39种成分,占总油量的94.31%。分离出的主要成分为蓖麻油酸(17.91%);7,7,8,8-四甲基二环[4.2.0]辛烷-1(6),3-二烯-2,5-二酮(7.60%);1,2-二乙基-3,4-二甲基-苯(6.70%);1,2,6,6-四甲基-1,3-环己二烯(5.35%);n-棕榈酸(4.47%);1,3,4-三甲基-3-环己烯-1-甲醛(4.17%)。     

Acid‐treated g‐C3N4‐Cu2O composite catalyst with enhanced photocatalytic activity under visible‐light irradiation

Acid‐treated g‐C₃N₄‐Cu₂O was prepared by hydrothermal reduction followed by high temperature calcination and acid exfoliation. The structures and properties of as‐synthesized samples were characterized using a range of techniques, such as X‐ray photoelectron spectroscopy, scanning electron microscopy, Photoluminescence Spectroscopy and the Brunauer–Emmett–Teller (BET) theory. The photocatalytic activity was evaluated by measuring the photodegradation of methyl orange under visible‐light irradiation. Based on the results of TEM, XPS, EPR and other techniques, it was verified that a heterojunction was formed. The acid treatment process can increase the specific surface area to form abundant heterojunction interfaces as channels for photo‐generated carrier separation, thereby enhancing its light utilization and quantum efficiency. Results indicate that acid‐treated g‐C₃N₄‐Cu₂O possesses a large specific surface area, which provides plentiful activated sites for heterojunctions to form; in addition, it showed a high visible light effect and the minimum charge‐transfer resistance. Furthermore, the g‐C₃N₄‐Cu₂O material exhibits high levels of effectiveness and stability. Electron paramagnetic resonance and a series of radical trapping experiments demonstrate that the holes and ?O₂^? could be the main active species in methyl orange photodegradation. This work could provide new insights into the fabrication of composite materials as high‐performance photocatalysts, and facilitate their application in addressing environmental protection issues.     

Organic solar cells based on chlorine functionalized benzo[1,2-b:4,5-b′]difuran-benzo[1,2-c:4,5-c′]dithiophene-4,8-dione copolymer with efficiency exceeding 13%

Benzo[1,2-b:4,5-b′]dithiophene(BDT) has been widely used to construct donor-acceptor(D-A) copolymers in organic solar cells(OSCs). However, benzo[1,2-b:4,5-b′]difuran(BDF), an analogue of BDT, has received less attention than BDT. The photovoltaic performance of BDF copolymers has lagged behind that of BDT copolymers. Here, we designed and synthesized two BDF copolymers, PBF1-C and PBF1-C-2Cl. PBF1-C-2Cl, which is composed of BDF and benzo[1,2-c:4,5-c′]dithiophene-4,8-dione connected by a chlorinated thiophene π-bridge, displays a low-lying highest occupied molecular orbital energy level,which helps in yielding a high open-circuit voltage(V_(oc)) in OSCs. As a result, when blended with Y6, PBF1-C-2Cl-based devices showed a high V_(oc) of 0.83 V and a power conversion efficiency(PCE) of 13.10%. To the best of our knowledge, the PCE of 13.10% is among the highest efficiency values for OSCs based on BDF copolymers.