72 research outputs found
On Specifics of Human Development: Metaqualification As a Factor of Adaptation to Political, Economic and Social Changes
No full textIn this article the challenges which society face in the XXI century are analyzed. The author describes such processes of adaptation occurring in societies as shifting of priorities in the educational process, appearance of the new approaches to professional qualification, and the perception changes of the role of human intelligence
CD1d protein structure determines species-selective antigenicity of isoglobotrihexosylceramide (iGb3) to invariant NKT cells
No full textIsoglobotrihexosylceramide (iGb3) has been identified as a potent CD1d-presented self-antigen for mouse invariant natural killer T (iNKT) cells. The role of iGb3 in humans remains unresolved, however, as there have been conflicting reports about iGb3-dependent human iNKT-cell activation, and humans lack iGb3 synthase, a key enzyme for iGb3 synthesis. Given the importance of human immune responses, we conducted a human-mouse cross-species analysis of iNKT-cell activation by iGb3-CD1d. Here we show that human and mouse iNKT cells were both able to recognise iGb3 presented by mouse CD1d (mCD1d), but not human CD1d (hCD1d), as iGb3-hCD1d was unable to support cognate interactions with the iNKT-cell TCRs tested in this study. The structural basis for this discrepancy was identified as a single amino acid variation between hCD1d and mCD1d, a glycine-to-tryptophan modification within the ?2-helix that prevents flattening of the iGb3 headgroup upon TCR ligation. Mutation of the human residue, Trp153, to the mouse ortholog, Gly155, therefore allowed iGb3-hCD1d to stimulate human iNKT cells. In conclusion, our data indicate that iGb3 is unlikely to be a major antigen in human iNKT-cell biology
Reproducibility and accuracy of microscale thermophoresis in the NanoTemper Monolith: a multi laboratory benchmark study (European Biophysics Journal, (2021), 50, 3-4, (411-427), 10.1007/s00249-021-01532-6)
No full textThe article “Reproducibility and accuracy of microscale thermophoresis in the NanoTemper Monolith: a multi laboratory benchmark study” written by López-Méndez, B., Baron, B., Brautigam, C. A., Jowitt, T. A., Knauer, S. H., Uebel, S., Williams, M. A., Sedivy, A., Abian, O., Abreu, C., Adamczyk, M., Bal, W., Berger, S., Buell, A. K., Carolis, C., Daviter, T., Fish, A., Garcia-Alai, M., Guenther, C., Hamacek, J., Holková, J., Houser, J., Johnson, C., Kelly, S., Leech, A., Mas, C., Matulis, D., McLaughlin, S. H., Montserret, R., Nasreddine, R., Nehmé, R., Nguyen, Q., Ortega-Alarcón, D., Perez, K., Pirc, K., Piszczek, G., Podobnik, M., Rodrigo, N., Rokov-Plavec, J., Schaefer, S., Sharpe, T., Southall, J., Staunton, D., Tavares, P., Vanek, O., Weyand, M., Wu, D. was originally published Online First without Open Access. After publication in volume 50, issue 3–4, pages 411–427 the author decided to opt for Open Choice and to make the article an Open Access publication. Therefore, the copyright of the article has been changed topublishersversionpublishe
Human Potential As The Resource Of Modernization
No full textThe article is dedicated to problematic of human potential realization as the key requirement of carrying out of modern projects. The case studies are also included in order to demonstrate the necessity of synchronizing of all aspects of human capital between each other, and the necessity of taking them into account while planning transformations
Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni II 2 (L)(μ 1,1 -N 3 )][ClO 4 ] (L = Macrocyclic N 6 S 2 Ligand)
No full textInternational audienceThe dinuclear Ni-II complex [Ni-2(L-2)][ClO4](2) (3) supported by the 28-membered hexaaza-dithiophenolate macro-cycle (L-2)(2-) binds the N-3(-) ion specifically end-on yielding [Ni-2(L-2)(mu(1,1)-N-3)] [ClO4] (7) or [Ni-2(L-2)(mu(1,1)-N-3)][BPh4] (8), while the previously reported complex [Ni2L1(mu(1,3)-N-3)][ClO4] (2) of the 24-membered macrocycle (L-1)(2-) coordinates it in the end-to-end fashion. A comparison of the X-ray structures of 2, 3, and 7 reveals the form-selective binding of complex 3 to be a consequence of its preorganized, channel-like binding pocket, which accommodates the azide anion via repulsive CH center dot center dot center dot pi interactions in the end-on mode. In contrast to [Ni2L1(mu(1,3)-N-3)] [ClO4] (2), which features a S = 0 ground state, [Ni-2(L-2)(mu(1,1)-N-3)][BPh4] (8) has a S = 2 ground state that is attained by competing antiferromagnetic and ferromagnetic exchange interactions via the thiolato and azido bridges with a value for the magnetic exchange coupling constant J of 13 cm(-1) (H = -2JS(1)S(2)). These results are further substantiated by density functional theory calculations. The stability of the azido-bridged complex determined by isothermal titration calorimetry in MeCN/MeOH 1/1 v/v (log K-11 = 4.88(4) at I = 0.1 M) lies in between those of the fluorido- (log K-11 = 6.84(7)) and chlorido-bridged complexes (log K-11 = 3.52(5)). These values were found to compare favorably well with the equilibrium constants derived at lower ionic strength (I = 0.01 M) by absorption spectrophotometry (log K-11 = 5.20(1), 7.77(9), and 4.13(3) for N-3(-), F-, and Cl- respectively)
Discovery and validation of SIRT2 inhibitors based on tenovin-6 : use of a 1H-NMR method to assess deacetylase activity
No full textThe search for potent and selective sirtuin inhibitors continues as chemical tools of this type are of use in helping to assign the function of this interesting class of deacetylases. Here we describe SAR studies starting from the unselective sirtuin inhibitor tenovin-6. These studies identify a sub-micromolar inhibitor that has increased selectivity for SIRT2 over SIRT1 compared to tenovin-6. In addition, a H-1-NMR-based method is developed and used to validate further this class of sirtuin inhibitors. A thermal shift analysis of SIRT2 in the presence of tenovin-6, -43, a control tenovin and the known SIRT2 inhibitor AGK2 is also presented.Peer reviewe
КВАНТОВОХИМИЧЕСКОЕ И ЭКСПЕРИМЕНТАЛЬНОЕ ИССЛЕДОВАНИЕ РЕАКЦИЙ НУКЛЕОФИЛЬНОГО ЗАМЕЩЕНИЯ В РЯДУ N-АЛКИЛ-3-НИТРО-1,2,4-ТРИАЗОЛОВ
No full textReactions of nucleophilic substitution of nitro group in N-alkyl-3-nitro-1,2,4-triazoles have been studied both experimentally and theoretically using DFT method. The standard enthalphy and Gibbs free energy of alkoxylation reactions of N-alkyl-3-nitro-1,2,4-triazoles in gas phase and aqueous solution have been calculated. The calculation results show that nucleophilic substitution reactions of N-alkyl-3-nitro-1,2,4-triazoles with alcohols and alcoholate anions are thermodynamically possible both in gas phase and in aqueous solution. Computed activation energies for reactions of N-alkyl-3-nitro-1,2,4-triazoles with methanol decrease in the series of ΔG≠S(for 1-isomer) >> ΔG≠S(for 4-isomer) > ΔG≠S(for 2-isomer). The calculation results are in good agreement with experimental data.С использованием современных квантовохимических и экспериментальных методов исследованы процессы нуклеофильного замещения нитрогруппы в ряду N-алкил-3-нитро-1,2,4-триазолов. Проведены расчеты стандартных энтальпий и энергий Гиббса реакций алкоксилирования N-алкил-3-нитро-1,2,4-триазолов в газовой и водной фазах. Согласно выполненным расчетам, реакции нуклеофильного замещения N-алкил-3-нитро-1,2,4-триазолов со спиртами и алкоголят-анионами термодинамически возможны как в газовой фазе, так и в водном растворе. На примере изомерных N-этил-3-нитро-1,2,4-триазолов показано, что расчетные значения энергии Гиббса активации реакций с метиловым спиртом в водном растворе уменьшаются в ряду ΔG≠S(для 1-изомера) >> ΔG≠S(для 4-изомера) > ΔG≠S(для 2-изомера). Результаты расчетов хорошо согласуются с данными экспериментального исследования процессов нуклеофильного замещения нитрогруппы в молекулах N-алкил-3-нитро-1,2,4-триазолов
Natural variations at position 93 of the invariant Va24-Ja18 alpha chain of human iNKT cell TCRs strongly impact on CD1d binding
No full textHuman invariant natural killer T (NKT) cell TCRs bind to CD1d via an "invariant" Vá24-Já18 chain (iNKTá) paired to semi-invariant V?11 chains (iNKTâ). Single-amino acid variations at position 93 (p93) of iNKTá, immediately upstream of the “invariant” CDR3á region, have been reported in a substantial proportion of human iNKT cell clones (4-30%). Although p93, a serine in most human iNKT cell TCRs, makes no contact with CD1d, it could affect CD1d-binding by altering the conformation of the crucial CDR3á loop. By generating recombinant refolded iNKT cell TCRs, we show that natural single-nucleotide variations in iNKTá, translating to serine, threonine, asparagine or isoleucine at p93, exert a powerful effect on CD1d binding, with up to 28-fold differences in affinity between these variants. This effect was observed with CD1d loaded with either the artificial á-galactosylceramide antigens KRN7000 or OCH, or the endogenous glycolipid â-galactosylceramide, and its importance for autoreactive recognition of endogenous lipids was demonstrated by the binding of variant iNKT cell TCR tetramers to cell-surface expressed CD1d. The serine-containing variant showed the strongest CD1d-binding, offering an explanation for its predominance in vivo. Complementary molecular dynamics modeling studies were consistent with an impact of p93 on the conformation of the CDR3á loo
The development of low-fat/low-salt frankfurters
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Reason: ETDs are only available to UIUC Users without author permissionETDs are only available to UIUC Users without author permissionCommercially available frankfurters (N = 25) were evaluated in order to identify a range of sensory properties that were considered to be acceptable to consumers. Hardness, cohesiveness, saltiness, flavor intensity and off-flavor intensity values that were within one standard deviation of the mean were identified as acceptable values.Three central composite designs (N = 17 treatment combinations--salt, fat and pH--or N = 12 treatment combinations--salt, fat and soy protein or carrageenan)--were used to determine the effects of fat, salt, pH, soy protein and carrageenan on sensory properties of frankfurters. Response surface techniques were used to identify a range of variable levels that could produce acceptable frankfurters. Desirable processing and flavor profile characteristics were achieved at pH 6.0. As salt levels increased, hardness, juiciness, saltiness and flavor intensity scores increased. As fat content increased, juiciness scores decreased due to the substitution of water for fat in the formulation. Increased fat content resulted in decreased off-flavor scores. Model predictions suggest that acceptable frankfurters can be manufactured with a minimum of 11.25% fat and 1.3% salt at pH 6.0.The addition of soy protein to frankfurters increased hardness and off-flavor intensity and decreased juiciness, saltiness and flavor intensity scores. The addition of carrageenan to frankfurter formulations increased hardness scores at levels below 1.7% salt and decreased juiciness scores at levels above 15% fat. Saltiness, flavor intensity and off-flavor intensity scores increased with increasing levels of carrageenan.The effects of different cooking methods (steep, microwave and broil) and final cooking temperatures (66\sp\circC, 77\sp\circC and 88\sp\circC) on the physical and sensory properties of frankfurters were evaluated using 3 x 3 factorial design. Instron hardness, shear force, sensory hardness and saltiness scores increased and juiciness scores decreased with increased temperature when frankfurters were cooked by either microwaving or broiling. These effects were associated with evaporative moisture loss. Frankfurter density decreased with increased ultimate temperature and was attributed to increased volume of gas. Expressible moisture increased with increased ultimate temperature when frankfurters were steeped. Neither cooking procedures or ultimate temperature influenced protein denaturation as determined by gel electrophoresis or enzymatic digestion.U of I Onl
Functionalization of N,N-Dialkylferrocenesulfonamides toward Substituted Derivatives
No full textInternational audienceDespite the well-established pharmacological properties of aromatic sulfonamides and the interest of introducing ferrocene into drugs, ferrocene sulfonamides have scarcely been studied. General synthetic methods using lithium bases to perform sulfonamide-directed deprotolithiation or the "halogen dance" reaction are here reported for the functionalization of N,N-dialkylferrocenesulfonamides toward various polysubstituted derivatives. Postfunctionalization of the ferrocenyl iodides by cross-coupling and lithium/iodine exchange reactions were also considered. Finally, the ligand behavior of new ferrocene phosphines in palladium-catalyzed coupling reactions was studied, and the reaction outcomes are viewed in light of DFT calculations
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