Cu(OAc)_2 catalyzed Sonogashira cross-coupling reaction in amines

A simple Cu（OAc）2 catalyzed Sonogashira coupling protocol is presented. It was found that the couplings of a variety of aryl halides with terminal alkynes were conducted smoothly to afford the corresponding desired products in moderate to excellent yields, using Cu（OAc）2 as the catalyst and Et3N as the solvent.

Ligand assisted copper-catalyzed Ullmann cross coupling reaction of bromaminic acid with amines

Three types of ligands have been developed for copper-catalyzed Ullmann cross coupling reaction of bromaminic acid with amines in aqueous solution. Ligands with large steric hindrance and strong electron-donating capacity were beneficial to the reaction. UV–Vis and CV analyses demonstrated that these ligands had strong coordination with copper(I), implying the effect of ligand coordination ability on the stability and catalytic activity of catalytic system.

Measurement of ^(232)Th(n,2n)^(231)Th reaction cross-sections at neutron energies of 14.1 MeV and 14.8 MeV using neutron activation method

In this study, the activation cross-sections were measured for ^(232)Th(n,2n)^(231)Th reactions at neutron energies of 14.1 and 14.8 MeV, which were produced by a neutron generator through a T(d,n)~4He reaction. Induced gamma-ray activities were measured using a low background gamma ray spectrometer equipped with a high resolution HPGe detector. In the cross-section calculations, corrections were made regarding the effects of gamma-ray attenuation, dead-time, fluctuation of the neutron flux, and low energy neutrons. The measured cross-sections were compared with the literature data, evaluation data(ENDF-B/VII.1, JENDL-4.0 and CENDL-3.1), and the results of the model calculation(TALYS1.6).

Polybinaphthyls of (R)-3,3′-Diiodo-2,2′-binaphtho-20-crown-6 with p-Divinylbenzene via Heck Cross-coupling Reaction

The present paper deals with the polymerization of ( R ) 3,3′ diiodo 2,2′ binaphtho 20 crown 6 with \{ p divinylbenzene\} under Heck coupling reaction condition. Both the monomers and the polymer were analyzed by NMR, FTIR, UV, CD, fluorescent spectroscopy, polarimetry, GPC and elemental analysis. The polymer can emit a strong blue fluorescence and is expected to have the potential application in the polarized blue light emitting sensors. The chiral conjugated polymer exhibits a strong Cotton effect in its Circular Dichroism(CD ) spectrum, indicating the high rigidity of the polymer backbone.

Cross-Reaction between Gliadin and Different Food and Tissue Antigens

A subgroup of coeliac disease patients continues to experience symptoms even on a gluten-free diet (GFD). We attempted to determine whether these symptoms could be due to either cross-contamination with gluten-containing foods or cross-reactivity between α-gliadin and non-gluten foods consumed on a GFD. We measured the reactivity of affinity-purified polyclonal and monoclonal α-gliadin 33-mer peptide antibodies against gliadin and additional food antigens commonly consumed by patients on a GFD using ELISA and dot-blot. We also examined the immune reactivity of these antibodies with various tissue antigens. We observed significant immune reactivity when these antibodies were applied to cow’s milk, milk chocolate, milk butyrophilin, whey protein, casein, yeast, oats, corn, millet, instant coffee and rice. To investigate whether there was cross-reactivity between α-gliadin antibody and different tissue antigens, we measured the degree to which this antibody bound to these antigens. The most significant binding occurred with asialoganglioside, hepatocyte, glutamic acid decarboxylase 65, adrenal 21-hydroxylase, and various neural antigens. The specificity of anti-α-gliadin binding to different food and tissue antigens was demonstrated by absorption and inhibition studies. We also observed significant cross-reactivity between α-gliadin 33-mer and various food antigens, but some of these reactions were associated with the contamination of non-gluten foods with traces of gluten. The consumption of cross-reactive foods as well as gluten-contaminated foods may be responsible for the continuing symptoms presented by a subgroup of patients with coeliac disease. The lack of response of some CD patients may also be due to antibody cross-reactivity with non-gliadin foods. These should then be treated as gluten-like peptides and should also be excluded from the diet when the GFD seems to fail.

Cross-section measurement of(n,2n) reactions for Nd isotopes induced by 14 MeV neutrons

Cross-sections of the(n,2n) reactions for neodymium(Nd) isotopes induced by 14 MeV neutrons were measured in this work by using the activation and relative methods. The measured cross-sections of the ^(150)Nd(n,2n)^(149)Nd,^(148)Nd(n,2n)^(147)Nd, and ^(142)Nd(n,2 n)^(141)Nd reactions were 1854 ± 81, 1789 ± 119, and 1559 ± 98 mb, respectively, at a neutron energy of 14.2 ± 0.2 MeV,and 1485 ± 74, 1726 ± 85, and 1670 ± 119 mb, respectively, at 14.9 ± 0.2 MeV. The results were compared with the experimental values from the reported literature, with the evaluated data from the ENDF/B-VII.1, CENDL-3.1, and JENDL-4.0 libraries, and with the curves calculated by the Talys-1.8 code.

Hyperstatic reaction method for calculations of tunnels with horseshoe-shaped cross-section under the impact of earthquakes

Tunnels are now an integral part of the infrastructure in major cities around the world. For many reasons, these tunnels have horseshoe-shaped cross-sections with round top and flat bottom. This paper presents some improvements to the use of the Hyperstatic Reaction Method-HRM for analysing tunnels with horseshoe-shaped cross-sections when these tunnels operate under the influence of earthquakes, particularly in cases when the tunnel lining is a continuous lining. The analysis used parameters of a tunnel from the Hanoi metro system, as well as parameters of the strongest earthquake that may occur in the central Hanoi area in the improved HRM and 2 D numerical methods using the ABAQUS software. On the basis of the results obtained, the paper gives conclusions about the HRM methodology when it is used to calculate tunnels that have horseshoe cross-sections operating under the influence of earthquakes.

Activation cross sections for reactions induced by 14 MeV neutrons on natural copper

The cross sections for the^(63)Cu(n,a)^(60(m+g))Co,^(65)Cu(n,2 n)^(64)Cu, and ^(65)Cu(n,p)^(65)Ni reactions have been studied in the neutron energy range of 13.5–14.8 MeV using the activation technique. The neutron beams were produced via the^3 H(d,n)~4 He reaction. The neutron energies of different directions in the measurements were determined beforehand by the method of cross section ratios for the^(90)Zr(n,2 n)^(89 m+g)Zr and ^(93)Nb(n,2 n)^(92 m)Nb reactions. The results in the present work were discussed and compared with measurement results found in the literatures.

Reaction cross section studies of ^(12)C using the modified Glauber model in conjunction with nonlinear relativistic mean-field theory

We studied the structure of 12 C through the modified Glauber model using the density distributions calculated by the relativistic mean field theory. The experimental reaction cross sections of 12 C + 12 C were analyzed within the MOL by a χ 2 -fitting procedure. The effects of the nuclear deformation on the reaction cross sections are studied. The reliable structure of 12 C is deduced. The studies show that the conjunction of these two models will be a more effective tool to study the properties of nuclei.

A method of analysing experimental data of nuclear reaction cross sections

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Calculation of Reactions Cross Section for Neutron-Induced Reactions on ¹²⁷I Isotope

In this work, the reaction cross-section for neutron-induced reactions on 127I isotope was calculated using EXIFON code in the energy range of incident particle from 0 MeV to 30 MeV. The code is based on an analytical model for statistical multistep direct and multistep compound reactions (SMD/SMC model). In order to see the effect of nuclear structure on cross sections, the calculation was done using nuclear shell structure effect and without considering shell structure effect. Obtained results and statistical analysis showed that shell structure effect does not give significant changes to the cross-section at considered energy ranges. This shows that EXIFON code is a good tool for investigation of nuclear reaction cross section and is useful in the production of the radioisotopes of Iodine, Antimony and tellurium of high purity and in an efficient manner using cyclotron or nuclear reactors, these isotopes have potential application for field of medical science especially for diagnostics and therapeutic purposes.

Statistical significance of non-reproducibility of cross sections measured in dissipative reactions ^(19)F+^(93)Nb

Two independent measurements of cross sections for the 19F+93Nb dissipative heavy-ion collision (DHIC) have been performed at incident energies from 100 to 108 MeV in steps of 250 keV. Two independently prepared targets were used respectively with all other experimental conditions being identical in both experiments. The data indicate non-reproducibility of the non-self-averaging oscillation yields in the two measurements. The statistical analysis of this non-reproducibility supports recent theoretical predictions of spontaneous coherence, slow phase randomization and extreme sensitivity in highly excited quantum many-body systems.

Formation cross sections of nuclei with (n,2n) reactions

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Direct measurement of the break-out ^(19)F(p,γ)^(20)Ne reaction in the China Jinping underground laboratory(CJPL)

Calcium production and the stellar evolution of first-generation stars remain fascinating mysteries in astrophysics.As one possible nucleosynthesis scenario,break-out from the hot carbon–nitrogen–oxygen(HCNO)cycle was thought to be the source of the calcium observed in these oldest stars.However,according to the stellar modeling,a nearly tenfold increase in the thermonuclear rate ratio of the break-out ^(19)F(p,γ)^(20) Ne reaction with respect to the competing ^(19)F(p,α)^(16) O back-processing reaction is required to reproduce the observed calcium abundance.We performed a direct measurement of this break-out reaction at the China Jinping underground laboratory.The measurement was performed down to the low-energy limit of E_(c.m.)=186 keV in the center-of-mass frame.The key resonance was observed at 225.2 keV for the first time.At a temperature of approximately 0.1 GK,this new resonance enhanced the thermonuclear ^(19)F(p,γ)^(20) Ne rate by up to a factor of≈7.4,compared with the previously recommended NACRE rate.This is of particular interest to the study of the evolution of the first stars and implies a stronger breakdown in their“warm”CNO cycle through the ^(19)F(p,γ)^(20) Ne reaction than previously envisioned.This break-out resulted in the production of the calcium observed in the oldest stars,enhancing our understanding of the evolution of the first stars.

Systematics of Isomeric Cross Section Ratio for(n,t)Reaction at 14.6 MeV

On the basis of Hauser-Feshbach theory and some approximations,parametrized formulae of isomeric cross section ratio including two adjustableparameters for(n,t)reaction at 14.6MeV are derived.By fitting these formulae to theavailable measured data,parameters are obtained and the systematic behaviour of theisomeric cross section ratio are studied.The isomeric cross section ratio predicted by thepresent work is in good agreement with the limited measured data.

Measurement of Double Differential Cross Section for ^(93)Nb(n,xp) Reaction at E_n=14.6 MeV

-The energy spectrum and angular distributions of protons from 93Nb（n,xp）reactions are measured by means of the USTC（University of Science and Technologyof China）multitelescope system.The total proton production cross sections are in fairagreement with the results of other groups.The energy spectrum is well explained by thesum of the spectra calculated on the basis of the preequilibrium and the H-F theories.Deviations from the previous measurement at the high energy end of the angle-inte-grated proton spectrum are found.The angular distributions which show a stronglyenergy-dependent forward-backward asymmetry are in fair agreement with thephenomenological model of Kalbach-Mann.

Empirical Neutron Cross Section Formulae for (n, p) and (n, d) Reactions of He-3 Target

In this work, new cross section formulae for (n, p) and (n, d) reactions of He-3 have been investigated as a function of incident neutron energy. The new Empirical formulae were produced by using the least squares method to the experimental cross sections data, which were taken from Experimental Nuclear Reaction Data EXFOR Database Version of 2021. Several functions were examined to choose the best one that fits the data. Statistical hypothesis testing was used to insure how well the suggested equations fit the set of data. Two statistical indicators were used for each case for goodness-of-fit. Very high compatibility was found between the empirical values and the experimental data for both reactions.

Theoretical Studies of O（^1D）＋HD （v=0, j=0, 1, 2, 3）→OD（H）＋H（D） Reaction

The quasi-classical trajectory calculation for the reaction O（^1D）＋HD is carried out based on the Dobbyn and Knowles potential energy surface. In this work, the reaction cross section and product branching ratio are obtained. The product branching ratio OD/OH was discussed. The calculated results show that the cross-section decreases thoroughly with the increasing of the collision energy from 4.6 kJ/mol to 46.0 kJ/mol. The average branching ratio decrease with the increase of rotational quantum number of reactant HD.

手性伯胺催化剂用于顺式选择性的不对称Cross-Aldol反应

基于酸碱作用,将手性伯胺与质子酸原位结合制得有机小分子催化剂,并用于醛与醛的不对称Cross-aldol反应.与一般手性仲胺催化剂不同,该类伯胺催化剂得到的是顺式选择性构型的Cross-aldol产物,其产率达90%,顺反比和ee值分别为9:1和90%.相比而言,采用简单易得的(1S,2S)-(+)-环己二胺即可得到较高选择性的顺式产物.

Theoretical Study on the Mechanism of Sonogashira Coupling Reaction

The mechanism of palladium-catalyzed Sonogashira cross-coupling reaction has been studied theoretically by DFT （density functional theory） calculations. The model system studied consists of Pd（PH3）2 as the starting catalyst complex, phenyl bromide as the substrate and acetylene as the terminal alkyne, without regarding to the co-catalyst and base. Mechanistically and energetically plausible catalytic cycles for the cross-coupling have been identified. The DFT analysis shows that the catalytic cycle occurs in three stages： oxidative addition of phenyl bromide to the palladium center, alkynylation of palladium（Ⅱ） intermediate, and reductive elimination to phenylacetylene. In the oxidative addition, the neutral and anionic pathways have been investigated, which could both give rise to cis-configured palladium（Ⅱ） diphosphine intermediate. Starting from the palladium（Ⅱ） diphosphine intermediate, the only identifiable pathway in alkynylation involves the dissociation of Br group and the formation of square-planar palladium（Ⅱ） intermediate, in which the phenyl and alkynyl groups are oriented cis to each other. Due to the close proximity of phenyl and alkynyl groups, the reductive elimination of phenylacetylene proceeds smoothly.