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The CB state, however, is metastable at low CS due to a thermodynamic energy barrier. The metastable CB wetting state becomes more stable on the SH microtextures with greater ϕ and r, in agreement with our experimental observations. Finally, we generalize this surface-energy analysis to provide useful designs of surface parameters for a DDAB-laden surfactant droplet on the SH surface with a stable and robust CB state.Due to their role in many important signaling pathways, phosphatidylinositol 5-phosphate 4-kinases (PI5P4Ks) are attractive targets for the development of experimental therapeutics for cancer, metabolic, and immunological disorders. Recent efforts to develop small molecule inhibitors for these lipid kinases resulted in compounds with low- to sub-micromolar potencies. Here, we report the identification of CVM-05-002 using a high-throughput screen of PI5P4Kα against our in-house kinase inhibitor library. CVM-05-002 is a potent and selective inhibitor of PI5P4Ks, and a 1.7 Å X-ray structure reveals its binding interactions in the ATP-binding pocket. Further investigation of the structure-activity relationship led to the development of compound 13, replacing the rhodanine-like moiety present in CVM-05-002 with an indole, a potent pan-PI5P4K inhibitor with excellent kinome-wide selectivity. ARV-110 molecular weight Finally, we employed isothermal cellular thermal shift assays (CETSAs) to demonstrate the effective cellular target engagement of PI5P4Kα and -β by the inhibitors in HEK 293T cells.Single-atom catalysis has recently emerged as a promising approach for catalyzing the carbon dioxide reduction reaction (CO2RR). In this study, we present a principle for designing active single-atom catalysts (SACs) for CO2RR. We systematically examine totally 24 transition metals supported by a graphitic carbon nitride (g-CN) monolayer and find that their catalytic activities are highly correlated with the adsorption free energies of two intermediate species (OH and OCH). We then identify two important intrinsic descriptors, namely, the number of electrons in the outmost d-shell and the enthalpy of vaporization of the transition metal. Test calculations on transition metals supported by a C2N monolayer indicate that both descriptors are quite universal for SACs of CO2RR. Based on these results, we show that Ni@g-CN, Cu@g-CN, and Co@C2N are promising SACs for CO2RR. This study offers an effective principle for designing highly active SACs for CO2RR on the basis of intrinsic properties of transition metals.This Perspective discusses recent experiments that bear on the chiral induced spin selectivity (CISS) mechanism and its manifestation in electronic and magnetic properties of chiral molecules and materials. Although the discussion emphasizes newer experiments, such as the magnetization dependence of chiral molecule interactions with ferromagnetic surfaces, early experiments, which reveal the nonlinear scaling of the spin filtering with applied potential, are described also. In many of the theoretical studies, one has had to invoke unusually large spin-orbit couplings in order to reproduce the large spin filtering observed in experiments. Experiments imply that exchange interactions and Pauli exclusion constraints are an important aspect of CISS. They also demonstrate the spin-dependent charge flow between a ferromagnetic substrate and chiral molecules. With these insights in mind, a simplified model is described in which the chiral molecule’s spin polarization is enhanced by a spin blockade effect to generate large spin filtering.Exotic quantum phenomena have been demonstrated in recently discovered intrinsic magnetic topological insulator MnBi2Te4. At its two-dimensional limit, the quantum anomalous Hall effect and axion insulator state were observed in odd and even layers of MnBi2Te4, respectively. Here, we employ low-temperature scanning tunneling microscopy to study the electronic properties of MnBi2Te4. The quasiparticle interference patterns indicate that the electronic structures on the topmost layer of MnBi2Te4 are different from those of the expected out-of-plane A-type antiferromagnetic phase. The topological surface states may be embedded in deeper layers beneath the topmost surface. Such novel electronic structure is presumably related to the modification of crystalline structure during sample cleaving and reorientation of the magnetic moment of Mn atoms near the surface. Mn dopants substituted at the Bi site on the second atomic layer are observed. The electronic structures fluctuate at atomic scale on the surface, which can affect the magnetism of MnBi2Te4.Structural properties and energetics of carbon rings are studied with the diffusion Monte Carlo (DMC) method. Our DMC-based geometry optimization reveals that both polyynic C4n and cumulenic C4n + 2 rings exhibit bond length alternations for n ≥ 3, which is understood to be due to Jahn-Teller distortions. The bond length alternation even in a cumulenic (4n + 2) carbon ring was experimentally observed in a recently synthesized C18 molecule. From a comparison of the DMC cohesive energies of C4n with those of C4n + 2, we present a comprehensive picture of the competition between Hückel’s rule and Jahn-Teller distortion in small carbon rings; the former is more dominant than the latter for n less then 5 where C4n + 2 rings are more stable than C4n, while C4n rings are as stable as C4n + 2 for n less then 5 where dimerization effects due to Jahn-Teller distortion are more important.The ionization of tartaric acid (TA) in an atmospheric pressure chemical ionization corona discharge ion source was studied by ion mobility spectrometry (IMS) with zero air as the drift gas. Density functional theory was used for structural and thermodynamic analyses of the produced ionic clusters. Ion mobility spectra of TA were recorded in both positive and negative modes of CD with and without ammonia and chloroform as dopants in order to produce NH4+ and Cl-, respectively, as the reactant ions (RIs). In the absence of these dopants, the RIs were mainly H3O+ and O2- in the positive and negative CD, respectively. TA solutions in water and methanol were injected into the ionization region of the IMS instrument, and the product cations TA·H+(H2O)n, TA·H+(CH3OH), TA·NH4+, and TA·NH4+(CH3OH) were observed in the positive CD. ARV-110 molecular weight Anionic clusters (TA-H)-, (TA-H)-·CH3OH, (TA-H)-·TA, TA·Cl-, and (TA)2Cl- were produced in the negative CD. The anions TA·Cl- and (TA)2Cl- were not produced in an air atmosphere, and we observed their peaks when pure oxygen was used as the drift gas.