A Hamilton–Jacobi method to describe the evolutionary equilibria in heterogeneous environments and with non-vanishing effects of mutations

In this note, we characterize the solution to a system of elliptic integro-differential equations describing a phenotypically structured population subject to mutation, selection, and migration. Generalizing an approach based on the Hamilton–Jacobi equations, we identify the dominant terms of the solution when the mutation term is small (but nonzero). This method was initially used, for different problems arisen from evolutionary biology, to identify the asymptotic solutions, while the mutations vanish, as a sum of Dirac masses. A key point is a uniqueness property related to the weak KAM theory. This method allows us to go further than the Gaussian approximation commonly used by biologists, and is an attempt to fill the gap between the theories of adaptive dynamics and quantitative genetics.     

Selective Monoarylation of Primary Amines Using the Pd‐PEPPSI‐IPentCl Precatalyst

A single set of reaction conditions for the palladium‐catalyzed amination of a wide variety of (hetero)aryl halides using primary alkyl amines has been developed. By combining the exceptionally high reactivity of the Pd‐PEPPSI‐IPent^Cl catalyst (PEPPSI=pyridine enhanced precatalyst preparation, stabilization, and initiation) with the soluble and nonaggressive sodium salt of BHT (BHT=2,6‐di‐tert‐butyl‐hydroxytoluene), both six‐ and five‐membered (hetero)aryl halides undergo efficient and selective amination.     

Citric Acid Determination by Dual Wavelength Spectrophotometry

In this study, a dual wavelength spectrophotometric method was presented on the basis of Cu²⁺‐NH₃ complex decomposition by the citrate ion and the formation of Cu²⁺‐citrate complex. Sum of the absorbance decreasing at 600 nm (λ_max for Cu²⁺‐NH₃ complex) and the absorbance increasing at 750 nm (λ_max for Cu²⁺‐citrate complex) was used in quantification. This method is very selective, fast and inexpensive but relatively less sensitive. The calibration curve is linear in the range of 0.4–8 mmol/L with a detection limit of 0.13 mmol/L. The relative standard deviation (RSD%) for the six repeated determinations (2 mmol/L) is 1.75%. Interference studies of more than twenty common compounds, which are present in the studied samples, were carried out. Only oxalic and ascorbic acids are serious interferes and which interferences were eliminated by simple procedures. Finally, the proposed method was successfully applied in the determination of citric acid content in ORS powder and some fruit juices.     

Simultaneous Expression of GUS and Actin Genes by Using the Multiplex RT-PCR and Multiplex Gold Nanoparticle Probes

Gene expression analysis is considered to be extremely important in many different biological researches. DNA-based diagnostic test, which contributes to DNA identification, has higher specificity, cost, and speed than some biochemical and molecular methods. In this study, we try to use the novel nano technology approach with Multiplex RT-PCR and Gold nano particular probes (GNPs-probes) in order to get gene expression in Curcumas melons. We used Agrobacterium tumefactions for gene transfer and GUS reporter gene as a reporter. After cDNA synthesis, Multiplex PCR and Multiplex RT-PCR techniques were used. Finally, probes were designed for RNA of GUS and Actin genes, and then the analysis of the gene expression using the probes attached to GNPs was carried out and the color changes in the GNPs were applied. In the following, probes hybridization was checked with DNA between 400 to 700 nm wavelengths and the highest rate was observed in the 550 to 650 nm. The results show that the simultaneous use of GNP-attached detectors and Multiplex RT-PCRcan reduce time and costmore considerably than somelaboratory methods for gene expiration investigation. Additionally, it can be seen thatthere is an increase in sensitivity and specificity of our investigation. Based on our findings, this can bea novel study doneusingMultiplex RT-PCRand unmodified AuNPs for gene transfer and expression detection to plants. We can claim that this assay has a remarkable advantage including rapid, cost-effectiveness, specificity and accuracy to detect transfer and expression genes in plants. Also,we can use this technique from other gene expressionsin many different biology samples.     

Vibrations of a chelated proton in a protonated tertiary diamine

Vibrational spectra of the conjugate acid of Me(2)NCH(2)CH(2)CH(2)CH(2)NMe(2) (N,N,N',N'-tetramethylputrescine) have been examined in the gaseous and crystalline phases using Infrared Multiple Photon Dissociation (IRMPD) spectroscopy, Inelastic Neutron Scattering (INS), and high pressure Raman spectroscopy. A band observed near 530 cm(-1) is assigned to the asymmetric stretch of the bridging proton between the two nitrogens, based on deuterium substitution and pressure dependence. The NN distance measured by X-ray crystallography gives a good match to DFT calculations, and the experimental band position agrees with the value predicted from theory using a 2-dimensional potential energy surface. The reduced dimensionality potential energy surface, which treats the ion as though it possesses a linear NHN geometry, shows low barriers to proton transit from one nitrogen to the other, with zero point levels close to the barrier tops. In contrast, two other related systems containing strong hydrogen bonds do not exhibit the same spectroscopic signature of a low barrier hydrogen bond (LBHB). On the one hand, the IRMPD spectra of the conjugate acid ions of the amino acid N,N,N',N'-tetramethylornithine (in which the two nitrogens have different basicities) show fewer bands and no comparable isotopic shifts in the low frequency domain. On the other hand, the IRMPD spectrum of the shorter homologue Me(2)NCH(2)CH(2)CH(2)NMe(2) (N,N,N',N'-tetramethyl-1,3-propanediamine), for which the NHN bond angle deviates substantially from linearity, displays more than one band in the 1100-1400 cm(-1) domain, which vanish as a consequence of deuteration.     

Synthesis and Multinuclear NMR Study of Benzoyl Methylene Triparatolylphosphorane Ylide and the Reaction of this Ylide with Mercury(II) Halides

The reaction of the title ylide {PhCOCHP(p-tolyl)₃} with Pd(II), Pt(II). Hg(II), and Ag(I) in equimolar ratios using CH₃CN, CH₃OH, and CH₂Cl₂ as solvents have yielded [{(p-tolyl)₃PCHCOC₆H₅} PdCl₂]₂ (I), [{(p-tolyl)₃ PCHCOC₆H₅} PtCl₂]₂(2), [Hg(NO₃)₂ {(p-tolyl)₃ PCHCOC₆H₅}](3), and [Ag{(p-tolyl)₃ PCHCOC₆H₅ < eqid1 > ₂]⁺ (4). The IR, ¹H ¹³C, and ³¹P NMR together with micro analysis data of the products were obtained.     

Prediction of Density,Surface Tension,and Viscosity of Quaternary Ammonium-Based Ionic Liquids ([N222(n)]Tf2N) by Means of Artificial Intelligence Techniques

In this work, thermophysical properties of quaternary ammonium-based ionic liquids (ILs) including density, surface tension, and viscosity are produced by two powerful artificial intelligence techniques: genetic function approximation (GFA) and artificial neural network (ANN). In proposed GFA and ANN models, the critical temperature and water content of studied ILs ([N_222(n)]Tf₂N with n = 5, 6, 8, 10, and 12) as well as operation temperature were given as the input parameters and the density, surface tension, and viscosity were predicted as the output results. The obtained results reveal that the selected input parameters are appropriate for prediction of thermophysical properties of quaternary ammonium-based ILs. In addition, the high statistical quality represented by various criteria and the low prediction errors of the presented models indicate that they can accurately predict the density, surface tension, and viscosity of new ILs without recourse to experimental data.     

Theoretical Study of the Interactions between Isolated <Emphasis Type="Italic">DNA</Emphasis> Bases and Various Groups IA and IIA Metal Ions by <Emphasis Type="Italic">Ab Initio</Emphasis> Calculations

Summary. Interactions of the DNA bases adenine (A), guanine (G), cytosine (C), and thymine (T) with various metal ions (M) of groups IA and IIA of the periodic table of the elements were studied at the HF, MP2, and DFT levels of theory. The structures and thermodynamic stabilities of these species were studied at the gas phase. The calculations uphold that there exist two active sites in G and one in A, C, and T. The calculations also show that the O² atom in T is a more active site for metal ion bindings than that in C. The stability energies for G … M complexes are larger than those for A … M complexes and the stability energies for T … M complexes are larger than those for C … M complexes. As z/r ratio for the metal ion increases, the interaction energy for the complex increases systematically. Thermodynamic quantities such as ΔH, ΔG, ΔS, and ln K were determined for each complexation reaction, [Base+M ⁿ⁺ →(Base … M) ⁿ⁺]. A, G, and C complexation reactions except for C … Rb⁺ are exothermic. The situation is quite different for T complexation reactions and all except for T … Be²⁺ and T … Mg²⁺ are endothermic.     

Real-Time pH-Dependent Self-Assembly of Ionisable Lipids from COVID-19 Vaccines and In Situ Nucleic Acid Complexation

Ionisable amino-lipid is a key component in lipid nanoparticles (LNPs), which plays a crucial role in the encapsulation of RNA molecules, allowing efficient cellular uptake and then releasing RNA from acidic endosomes. Herein, we present direct evidence for the remarkable structural transitions, with decreasing membrane curvature, including from inverse micellar, to inverse hexagonal, to two distinct inverse bicontinuous cubic, and finally to a lamellar phase for the two mainstream COVID-19 vaccine ionisable ALC-0315 and SM-102 lipids, occurring upon gradual acidification as encountered in endosomes. The millisecond kinetic growth of the inverse cubic and hexagonal structures and the evolution of the ordered structural formation upon ionisable lipid-RNA/DNA complexation are quantitatively revealed by in situ synchrotron radiation time-resolved small angle X-ray scattering coupled with rapid flow mixing. We found that the final self-assembled structural identity, and the formation kinetics, were controlled by the ionisable lipid molecular structure, acidic bulk environment, lipid compositions, and nucleic acid molecular structure/size. The implicated link between the inverse membrane curvature of LNP and LNP endosomal escape helps future optimisation of ionisable lipids and LNP engineering for RNA and gene delivery.     

An investigation into the role of polarity of diamines in controlling the electron migration mechanism of photoluminescent poly(amide–imide)s

Several diamines with remarkable different polarities were used to produce photoactive poly(amide–imide)s (PAI)s in a quantitative yield. The absorption, fluorescence and photophysical properties of series of poly(amide–imide)s containing fused aromatic systems as energy donor and energy acceptor with different diamines cores are described. Poly(amide–imide)s exhibit broad fluorescent characteristic, and its fluorescent intensity is related to the intermolecular chain–chain or chain–solvent interaction. The fluorescence spectra confirmed an efficient singlet–singlet energy transfer between fused aromatic systems. The self-quenching mechanism was studied according to the specific behavior of these polymers in different solvents. The self-quenching rate constant for the association reaction in the excited state (Kq) could be measured from the Stern–Volmer equation. The kind of fused system and diamines show different electron migration mechanisms and photoluminescent properties in the singlet-excited states. By using the exothermic energy transfer as a function of diamine polarity, the electron transfer mechanism was evaluated for aromatic poly(amide–imide)s. In principle, the fluorescence energy is absorbed by different (PAI)s and raises the molecules to one of its excited states. Afterwards this excitation energy transfers through the different relaxation channels, i.e. columbic or exchange energy transfer.