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31.
Alejandro Montoya-Gmez Nelson Rivera Franco Leonel Ives Montealegre-Sanchez Luis Manuel Solano-Redondo Andrs Castillo Mildrey Mosquera-Escudero Elicer Jimnez-Charris 《Molecules (Basel, Switzerland)》2022,27(19)
Due to the lack of chemotherapeutic drugs that selectively affect cervical cancer cells, natural sources such as snake venom are currently being investigated for molecules with antitumor potential. Pllans–II, a phospholipase A2 type–Asp49 from Porthidium lansbergii lansbergii snake venom, induced cell death in a cervical cancer cell line—Ca Ski—related to dysfunction in the ability to resolve endoplasmic reticulum stress, evidenced by sub–expression of genes such as PERK, ERO1 PDIs, HSP70, and CHOP. Western blot analysis validated the last two genes′ sub–expression at the protein level. In addition, Pllans–II presented a dose–dependent cytotoxic effect on cancer cells and an insignificant effect on healthy endothelial cells (HUVEC). Additionally, Pllans–II inhibited cancer cells′ adhesion and migration capacity, induced cell cycle arrest in the G2/M phase, and induced apoptosis stimulated possibly by the extrinsic route. These results demonstrate for the first time that Pllans–II has an antitumor effect on a squamous epithelial cervical cancer cell line and represents a possible biotechnological tool for designing a prominent antitumor agent. 相似文献
32.
Gourab Chatterjee Ajay Jha Alejandro Blanco-Gonzalez Vandana Tiwari Madushanka Manathunga Hong-Guang Duan Friedjof Tellkamp Valentyn I. Prokhorenko Nicolas Ferr Jyotishman Dasgupta Massimo Olivucci R. J. Dwayne Miller 《Chemical science》2022,13(32):9392
The concerted interplay between reactive nuclear and electronic motions in molecules actuates chemistry. Here, we demonstrate that out-of-plane torsional deformation and vibrational excitation of stretching motions in the electronic ground state modulate the charge-density distribution in a donor-bridge-acceptor molecule in solution. The vibrationally-induced change, visualised by transient absorption spectroscopy with a mid-infrared pump and a visible probe, is mechanistically resolved by ab initio molecular dynamics simulations. Mapping the potential energy landscape attributes the observed charge-coupled coherent nuclear motions to the population of the initial segment of a double-bond isomerization channel, also seen in biological molecules. Our results illustrate the pivotal role of pre-twisted molecular geometries in enhancing the transfer of vibrational energy to specific molecular modes, prior to thermal redistribution. This motivates the search for synthetic strategies towards achieving potentially new infrared-mediated chemistry.Channelling vibrational excitation energy to achieve ground-state charge-transfer (CT)-assisted isomerization in a donor-bridge-acceptor molecule in solution. 相似文献
33.
This review focuses on recent developments in electrochemical technology (with special emphasis on electrocoagulation, electro-oxidation, and electro-Fenton) to treat petroleum industry effluents (offshore and hydraulic fracturing extraction, as well as refinery effluents). In addition, an overview is given of what these processes face to position themselves as consolidated technologies. 相似文献
34.
Dr. Xavier Just-Baringo Alejandro Yeste-Vázquez Javier Moreno-Morales Dr. Clara Ballesté-Delpierre Prof. Jordi Vila Prof. Ernest Giralt 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(51):12987-12991
The introduction of a novel tetra-ortho-chloroazobenzene amino acid (CEBA) has enabled photoswitching of the antimicrobial activity of tyrocidine A analogues by using exclusively visible light, granting spatiotemporal control under benign conditions. Compounds bearing this photoswitchable amino acid become active upon irradiation with red light, but quickly turn-off upon exposure to other visible light wavelengths. Critically, sunlight quickly triggers isomerisation of the red light-activated compounds into their original trans form, offering an ideal platform for self-deactivation upon release into the environment. Linear analogues of tyrocidine A were found to provide the best photocontrol of their antimicrobial activity, leading to compounds active against Acinetobacter baumannii upon isomerisation. Exploration of their N- and C-termini has provided insights into key elements of their structure and has allowed obtaining new antimicrobials displaying excellent strain selectivity and photocontrol. 相似文献
35.
David Molnar Christian Niedermeier Alejandro Mora Peter Binkele Siegfried Schmauder 《Continuum Mechanics and Thermodynamics》2012,24(4-6):607-617
Kinetic Monte-Carlo (KMC) methods are used as an approach to simulate precipitation in Cu-alloyed bcc Fe. In order to characterize the process, transformed fractions, that is, the precipitated atoms, are related to Johnson-Mehl-Avrami-Kolmogorov theory. However, simulated data often deviate from corresponding fit curves and so does the resulting growth exponent when compared to theoretical expectations. Furthermore, some data may suggest the development of a metastable phase. In our study, we show that the characteristics of the transformed fraction and, as a consequence, the derived growth exponents sensitively depend on the number of atoms that are considered to form a particle and hence contribute to the transformed fraction. With a temperature dependence of the critical cluster size and additionally accounting for severe impingement of the particles, we obtain growth exponents which lie close to the expected range between n = 1.5 and n = 2.5 for pre-existing nuclei or continuous nucleation, respectively. From these, we obtain activation energies for nucleation and growth of precipitates. In this way, atomistic KMC simulations yield thermodynamical quantities, which can be valuable input parameters for larger length scale simulation methods, for example, for Phase Field Method simulations. 相似文献
36.
Alejandro Ortega Moñux Steve Greedy Ginés Lifante 《Optical and Quantum Electronics》2013,45(4):307-307
37.
Josué M. Heinrich Ignacio Niizawa Fausto A. Botta Alejandro R. Trombert Horacio A. Irazoqui 《Photochemistry and photobiology》2013,89(5):1127-1134
Light availability is a main issue in autotrophic growth of photosynthetic microorganisms. The change of the suspended cells concentration and that of their chlorophylls content during microalgal growth alters the optical properties of the aqueous suspension. This brings about changes in the properties of the radiation field inside the reactor. In this work, we have computed the evolution in time of the local volumetric rate of absorption of photons inside a photobioreactor by means of a Monte Carlo simulation algorithm previously developed. From this study, we have computed two operational variables that are useful tools for the analysis, performance comparison, optimization and scaling up of photobioreactors: the average rate of photon absorption and the volumetric distribution function of photons absorption rates. Based on these two variables, it is possible to systematically quantify the degree of stratification of the culture medium, which is a decisive aspect that hampers the reactor efficiency regarding the energy usage for biomass production. 相似文献
38.
Denise Tofanello Gimenes Polyana Fernandes Pereira Rafael Rodrigues Cunha Rodrigo Amorim Bezerra da Silva Rodrigo Alejandro Abarza Munoz Eduardo Mathias Richter 《Electroanalysis》2012,24(9):1805-1810
In this study, we describe for the first time the application of an internal standard method to compensate for random errors associated with the injection procedure in batch injection analysis (BIA) systems with multiple pulse amperometric detection. A sequence of potential pulses was selected in such a way that the internal standard (IS) compound was detected individually at one potential pulse and both the IS and analyte, were detected at another potential pulse. The current ratio (IIS+analyte/IIS) was used in the construction of the calibration curve and then to compensate for random errors. The use of disposable syringes or manual pipettes in BIA systems increases the robustness of the method and dispenses with skilled operators. 相似文献
39.
40.
In a recent paper in this Journal, one of us argued against placing He above Be in Mendeleiev’s system of the elements. In it the goal was to dispute the notion that in Mendeleiev’s system of the elements the location of He should in fact lie above Be, which has a very similar electronic configuration, rather than above the noble gas column. That paper was based on rather old, Hartree–Fock limit studies on the strikingly limited non-additive contributions in the He3 and He4 systems in contrast with the much larger non-additivity obtained for the Be3, Be4 and Be5 oligomers. In a recent benchmark multireference Averaged Quadratic Coupled Cluster results on Be2 and Be3 we showed that the delocalized non-additive contribution comprises 94 % of the binding energy of Be3. Here we use this and other pertinent information (drawn from the same paper) to conclude that He may not be associated with Be in Mendeleiev’s Table, despite their quite similar spectroscopic ground states. Furthermore, we use the new results to show that the large non-additivity implies that less than 2 % of the Be3 binding is located in each Be pair contained within the Be trimer. The rest of the interaction energy is necessarily delocalized over all three Be atoms. This might actually announce the bulk properties (i.e. “the electron gas”) that in solid-state physics explain the large electric and heat conduction for the solid Be metal. Thus, in the case of beryllium the metallic characteristics are already evident in Be3, a far cry from the monoatomic helium gas. 相似文献