Improvement of the Performance of an Acousto-Optical Q-Switched Nd:YAG 946 nm Laser Using a Convex–Plane Cavity

We improve the performance of an acousto-optical Q-switched Nd:YAG 946 nm laser using a convex–plane cavity. We obtain the highest output average power of 2.3 W with a pulse width of 15.3 ns in a 10 kHz 946 nm laser with a convex–plane cavity. The maximum peak power 15.0 kW is about three times higher than that in a plane–plane cavity. Also we investigate the output performances of the pulsed 946 nm laser with the convex–plane cavity at 20 and 50 kHz.     

气粒混合物非灰辐射特性合并宽窄谱带K分布模型

气粒混合物辐射问题具有全场性、非灰性、耦合性等特点,准确预估高温燃气/粒子非灰辐射特性是非常重要的。本文将合并宽窄谱带K分布模础(CWNBCK)与离散坐标法(DOM)结合,开展了非灰气粒混合物辐射换热问题的模拟工作,分别验证了一维和三维情况下应用该模型的准确性,给出不同工况下的热流源项、壁面热流或辐射热流等。结果表明:该模型能够给出与SNB模型精度基本相同的结果,考虑其计算效率的提高,可以在工程实际中应用该模型计算非灰气粒混合物辐射换热。     

Interaction of molecules of the neonicotinoid imidacloprid and its structural analogs with human serum albumin

We have used fluorescence spectroscopy methods to show that imidacloprid and its structural analogs form complexes with human serum albumin (HSA). The nature of the spectral changes in the ligand×protein systems and the calculated complexation parameters suggest that these low molecular weight compounds mainly bind to a specific section of the protein molecule, near the tryptophan residue in the 214 position of the polypeptide chain. We have found that the association constants are on the order of 10⁴ M⁻¹, and the affinity of the ligands for HSA varies in the series 6-chloronicotinic acid > 6-methoxynicotinic acid = imidacloprid > the keto analog of imidacloprid. The major contribution to the complexation energy probably comes from hydrophobic interaction forces with participation of the aromatic pyridine ring of the ligands, while additional enhancement of ligand-protein affinity can be provided by the nitroimine group of imidacloprid. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 6, pp. 859–866, November–December, 2008.     

Universal crossover of liquid dynamics in supercritical region

We demonstrate that all liquids in supercritical region may exist in two qualitatively different states: solid-like and gas-like. Solid-like to gas-like crossover corresponds to the condition τ ≈ τ₀, where τ is liquid relaxation time and τ₀ is the minimum period of transverse waves. This condition corresponds to the loss of shear stiffness of a liquid at all frequencies and defines a new narrow crossover zone on the phase diagram. We show that the intersection of this zone corresponds to the disappearance of high-frequency sound, qualitative changes of diffusion and viscous flow, increase in particle thermal speed to half of the speed of sound and reduction of the specific heat at constant volume to 2k _B per particle. The new crossover is universal: it separates two liquid states at arbitrarily high pressure and temperature, and even exists in systems where liquid-gas transition and the critical point are absent overall.     

Effects of Organic Acids on the Release of Fruity Esters in Water: An Insight at the Molecular Level

It is well known that organic acids (OAs) could affect the flavour of fruit juices and beverages. However, the molecular mechanism of aroma release is still unclear. In this study, the effects of citric acid (CA), L-(-)-malic acid (MA) and L-lactic acid (LA) on the release of six selected esters and their sensory perception were investigated by means of HS-GC-MS analyses and odour detection threshold determination, respectively. Meanwhile, the density functional theory (DFT) calculation was employed to explore the interaction modes between esters and OAs. HS-GC-MS analyses showed that the concentration and the type of OAs regulated the release of esters. The results were basically consistent with the detection threshold change of those esters. The DFT calculation suggested that the main intermolecular interaction was hydrogen bonds, and several esters could form a ternary ring structure with OAs through hydrogen bonds. The interactions can induce the different release behaviours of esters in OAs water solution. The number of carboxyl functional groups in OAs and the spatial conformation of esters appeared to influence the magnitude of the interaction. The above results demonstrated the mechanism of OAs affecting the release of esters and indicated a possible flavour control way by using different OAs and OA concentrations.     

Novel Inhibitors of 2′-O-Methyltransferase of the SARS-CoV-2 Coronavirus

The COVID-19 pandemic is still affecting many people worldwide and causing a heavy burden to global health. To eliminate the disease, SARS-CoV-2, the virus responsible for the pandemic, can be targeted in several ways. One of them is to inhibit the 2′-O-methyltransferase (nsp16) enzyme that is crucial for effective translation of viral RNA and virus replication. For methylation of substrates, nsp16 utilizes S-adenosyl methionine (SAM). Binding of a small molecule in the protein site where SAM binds can disrupt the synthesis of viral proteins and, as a result, the replication of the virus. Here, we performed high-throughput docking into the SAM-binding site of nsp16 for almost 40 thousand structures, prepared for compounds from three libraries: Enamine Coronavirus Library, Enamine Nucleoside Mimetics Library, and Chemdiv Nucleoside Analogue Library. For the top scoring ligands, semi-empirical quantum-chemical calculations were performed, to better estimate protein–ligand binding enthalpy. Relying upon the calculated binding energies and predicted docking poses, we selected 21 compounds for experimental testing.     

Monoterpenoid Indole Alkaloids with Promoting Neurite Growth from Tabernaemontana divaricata

Main observation and conclusion Phytochemical investigations on Tabernaemontana divaricata led to the isolation of seven undescribed monoterpenoid indole alka-l...     

Guajamers A-I,Rearranged Polycyclic Phloroglucinol Meroterpenoids from Psidium guajava Leaves and Their Antibacterial Activity

Main observation and conclusion Eight new polycyclic phloroglucinol meroterpenoids guajamers A-H (1-8),a methylated benzoylphloroglucinol meroterpenoid guajamer...     

Highly efficient toughening effect of ultrafine full-vulcanized powdered rubber on poly(lactic acid)(PLA)

A unique ultrafine full-vulcanized powdered ethyl acrylate rubber (EA-UFPR) was used as the toughening modifier for poly (lactic acid) (PLA). Largely improved tensile toughness was successfully achieved with the incorporation of only 1 wt% EA-UFPR, while the tensile strength and modulus of the blends were almost the same as pure PLA. The highly efficient toughening of PLA by UFPR is mainly ascribed to the strong interfacial interaction between PLA and UFPR and good dispersion of UFPR particles in PLA matrix. Our work provides an effective toughening method to largely improve the mechanical properties of PLA without sacrificing its stiffness, which is very important for the wide application of PLA materials.     

Preparation of sol–gel materials doped with ionic liquid and extractant for cerium(III) extraction

Silica materials (ILDEHPASGs) consisting of ionic liquids and di-(2-ethylhexyl)phosphoric acid (DEHPA) for Ce(III) extraction was prepared by a sol–gel method using the hydrophobic ionic liquid 1-octyl-3-methylimidazolium hexafluorophosphate ([C₈mim]PF₆) as porogen and solvent medium. The ILDEHPASGs were characterized by scanning electron microscopy, Brunauer–Emmett–Teller surface area, Fourier transform infrared, and thermogravimetric analyses. The results indicated the doping of DEHPA and [C₈mim]PF₆ in ILDEHPASG-3 would evidently affect the formation of porous structure of sol–gel materials. ILDEHPASG-3 also possessed more channels and macropores than the blank sorbent; the surface area and pore volume of ILDEHPASG-3 were 409 m² g^?1 and 0.444 cm³ g^?1, respectively. [C₈mim]PF₆ and DEHPA were only physically confined or entrapped in the growing covalent silica network rather than chemically bound to the inorganic matrix. The majority of [C₈mim]PF₆ and DEHPA were stably immobilized in the gel. Then, the effects of contact time and pH were determined. The results showed the sorption of Ce(III) strongly depended on the contact time and pH, and ILDEHPASGs had high sorption ability for Ce(III). The results were analyzed by both Langmuir and Freundlich adsorption isotherm models, and the latter was found to give a better fit.