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711.
712.
Scattering techniques represent non-invasive experimental approaches and powerful tools for the investigation of structure and conformation of biomaterial systems in a wide range of distances, ranging from the nanometric to micrometric scale. More specifically, small-angle X-rays and neutron scattering and light scattering techniques represent well-established experimental techniques for the investigation of the structural properties of biomaterials and, through the use of suitable models, they allow to study and mimic various biological systems under physiologically relevant conditions. They provide the ensemble averaged (and then statistically relevant) information under in situ and operando conditions, and represent useful tools complementary to the various traditional imaging techniques that, on the contrary, reveal more local structural information. Together with the classical structure characterization approaches, we introduce the basic concepts that make it possible to examine inter-particles interactions, and to study the growth processes and conformational changes in nanostructures, which have become increasingly relevant for an accurate understanding and prediction of various mechanisms in the fields of biotechnology and nanotechnology. The upgrade of the various scattering techniques, such as the contrast variation or time resolved experiments, offers unique opportunities to study the nano- and mesoscopic structure and their evolution with time in a way not accessible by other techniques. For this reason, highly performant instruments are installed at most of the facility research centers worldwide. These new insights allow to largely ameliorate the control of (chemico-physical and biologic) processes of complex (bio-)materials at the molecular length scales, and open a full potential for the development and engineering of a variety of nano-scale biomaterials for advanced applications. 相似文献
713.
Basaldella EI Vázquez PG Iucolano F Caputo D 《Journal of colloid and interface science》2007,313(2):574-578
The effect of pH changes on the ability of the synthetic zeolite NaA to remove Cr(3+) from water by ion exchange was investigated. The exchange rate was improved by working near neutrality. Despite of the occurrence of simultaneous adsorption, precipitation or cation exchange phenomena, spectroscopic analyses of samples taken at different contact times suggested the presence of an unique chromium environment in the solid phase. The increase in pH observed during the ion exchange favored polymerization-precipitation of chromium species present in solution, which, in turn, improved the metal removal capacity of zeolite NaA above the values expected for a pure cationic exchange reaction. 相似文献
714.
Maria Valeria Raimondi Domenico Schillaci Salvatore Petruso 《Journal of heterocyclic chemistry》2007,44(6):1407-1411
The chemical synthesis of new halogenated pyrroles related to pyrrolomycins F is described and the anti‐staphylococcal activity compared. The replacement of 4′‐bromo atom of parent compounds with two chloro atoms at 3′ and 5′ position increase the antibacterial activity against a reference strain of S. aureus. 相似文献
715.
Bianchi L Maccagno M Petrillo G Sancassan F Tavani C Morganti S Rizzato E Spinelli D 《The Journal of organic chemistry》2007,72(15):5771-5777
4-Alkyl-2-nitrothiophenes [10: R = CH3, CH(OH)CH3, CH(OCH3)CH3] react with secondary aliphatic amines, in the presence of AgNO3, to give 3-alkyl-2-amino-5-nitrothiophenes (12) through an oxidative nucleophilic substitution of hydrogen (ONSH) of synthetic interest. This behavior is in striking contrast with that of the parent 2-nitrothiophene (6), which was found to undergo ring-opening in analogous reaction conditions. A possible rationale for the crucial effect of alkyl groups is suggested, grounded also on a study of the corresponding Meisenheimer-like adducts. 相似文献
716.
We give a positive answer to a question raised by Alberti in connection with a recent result by Brezis and Nguyen. We show the existence of currents associated with graphs of maps in trace spaces that have vanishing mean oscillation. The degree of such maps may be written in terms of these currents, of which we give some structure properties. We also deal with relevant examples. 相似文献
717.
Gomory mixed-integer cuts (GMICs) are widely used in modern branch-and-cut codes for the solution of mixed-integer programs.
Typically, GMICs are iteratively generated from the optimal basis of the current linear programming (LP) relaxation, and immediately
added to the LP before the next round of cuts is generated. Unfortunately, this approach is prone to instability. In this
paper we analyze a different scheme for the generation of rank-1 GMICs read from a basis of the original LP—the one before
the addition of any cut. We adopt a relax-and-cut approach where the generated GMICs are not added to the current LP, but
immediately relaxed in a Lagrangian fashion. Various elaborations of the basic idea are presented, that lead to very fast—yet
accurate—variants of the basic scheme. Very encouraging computational results are presented, with a comparison with alternative
techniques from the literature also aimed at improving the GMIC quality. We also show how our method can be integrated with
other cut generators, and successfully used in a cut-and-branch enumerative framework. 相似文献
718.
The understanding of the physical processes that occur below the threshold of protein thermal denaturation is of fundamental importance. In this thermal region proteins undergo a reversible folding/unfolding process whose evolution depends upon temperature and time. When the kinetics of the folding is altered, the specific biological activity of the protein is altered as well and aggregation phenomena usually intervene. The most important role in driving these processes is played by the solvent and water is certainly the solvent par excellence. It is well known that proteins become biologically active with no less than a water monolayer covering their surface. The knowledge of the physical properties of this monolayer is of basic importance to prevent folding alterations. We present a proton Nuclear Magnetic Resonance study at very high resolution of the thermodynamic properties of lysozyme hydration water as a function of temperature and time in the thermal region of the reversible denaturation. 相似文献
719.
Lepore R Simeoni S Raimondo D Caroli A Tramontano A Via A 《Journal of chemical information and modeling》2011,51(11):3005-3016
Plasmodium falciparum and Schistosoma mansonii are the parasites responsible for most of the malaria and schistosomiasis cases in the world. Notwithstanding their many differences, the two agents have striking similarities in that they both are blood feeders and are targets of an overlapping set of drugs, including the well-known artemether molecule. Here we explore the possibility of using the known information about the mode of action of artemether in Plasmodium to identify the molecular target of the drug in Schistosoma and provide evidence that artemether binds to SmSERCA, a putative Ca2?-ATPase of Schistosoma . We also predict the putative binding mode of the molecule for both its Plasmodium and Schistosoma targets. Our analysis of the mode of binding of artemether to Ca2?-ATPases also provides an explanation for the apparent paradox that, although the molecule has no side effect in humans, it has been shown to possess antitumoral activity. 相似文献
720.
Samvel N. Sirakanyan Athina Geronikaki Domenico Spinelli Anush A. Hovakimyan Azat S. Noravyan 《Tetrahedron》2013
Herein we present the synthesis of several new hydrazino derivatives of cyclopenta[c]pyridine, 5,6,7,8-tetrahydroisoquinoline and pyrano[3,4-c]pyridine from 3-oxo-4-cyano fused pyridine derivatives. The hydrazino derivatives obtained were used as starting materials for the synthesis of isomeric triazolopyrimidines as well as tetrazolopyrimidines. Furthermore, the rearrangement of triazolopyrimidines 7 into triazolopyrimidines 8 is also presented. In DMSO tetrazolopyrimidines 10 were shown to be in equilibrium with the relevant azidopyrimidines 9. The tetrazolopyrimidine structure was confirmed by X-ray crystallography. The synthesized compounds were tested for their antimicrobial activity. 相似文献