Stable structures
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This global minimum structure has the shape of a tetragonal bipyramid having two Sc atoms at two tops of pyramids binding with one edge of Ge-Ge. The ground electronic state of the global minimum isomer is the 2B2 state in the C2v symmetry. The most stable isomer of Sc2Ge6 − has been used to study the CO adsorption. The calculated results indicate that the Sc2Ge6 − cluster has a good interaction with the CO molecule. The adsorption positions are around the Sc atom with two stable models include adsorbing the C atom and adsorbing both the C and O atoms of the CO molecule.
7p dianmotminh02 03-05-2024 3 1 Download
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The paper results showed that the more than ten years mangrove community is a stable forest biome. Mangroves from 10 years old should be planned with different species to increase the diversity in species structure and enhance the ability to stabilize the community and withstand changes in coastal habitats.
12p dianmotminh02 03-05-2024 3 1 Download
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The four main objectives of this work can be summarized as follows: To provide a theoretical analysis of added-mass instability that focuses on improving the performance of FSI using the partitioned approach; To develop an efficient and stable tool to analyze applications that are relevant to FSI; To validate the techniques with well defined analytical solutions; To evaluate the performance of artifical compressibility and compare it to the under-relaxation technique.
178p runthenight07 01-03-2023 6 4 Download
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This study pointed out that growing an intercrop and retaining its residues as in situ mulch between the cotton rows can improve soil condition by increasing soil microstructure, water stable aggregation and infiltration rate, and reducing run-off and soil loss.
5p thebadguys 15-01-2022 11 0 Download
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In this research, first principle calculations based on Time-Dependent Density Functional Theory (TDDFT) have been used to study the geometry structures, the binding energies and electronic properties of (TiO2)n clusters with n = 1/10. All possible structures of TiO2 clusters have been built, optimized and studied.
7p tamynhan9 02-12-2020 11 2 Download
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Pentyl 2-(1H-indole-2-carboxamido)benzoate (5) is obtained in good yield as stable crystals by reaction of pentyl 2-amino benzoate (6) with indole-2-carbonyl chloride acid (7) in the presence of pyridine. The crystal structure of 5 confirms the presence of intramolecular hydrogen bonding (N-H…O) which produces a six-membered ring, and the molecules are linked together by intermolecular hydrogen forces (N-H…O).
6p tocectocec 25-05-2020 8 0 Download
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Comparative analyses of chloroplast and mitochondrial genomes have shown that organelle genomes in bryophytes evolve slowly. However, in contrast to seed plants, the organellar genomes are yet poorly explored in bryophytes, especially among liverworts.
12p vishikamaru2711 29-04-2020 14 1 Download
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In this study, we report the vibrational infrared spectra of most stable SinMn2+ clusters (n=5–9) using density functional theory calculations. An attempt has been made to theoretically construct infrared spectra of the investigated clusters in case of more than one stable isomers coexisting. The finding results would serve as fringerprints for further structural identification of interested clusters.
8p abcxyz123_02 03-03-2020 20 2 Download
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During the development of multicellular organisms, both transient and stable gene expression patterns have to be established in a precisely orchestrated sequence. Evidence from diverse model organisms indicates that this epigenetic program involves not only transcription factors, but also the local structure, composition, and modification of chromatin, which define and maintain the accessibility and transcriptional competence of the nucleosomal DNA template.
6p research12 01-06-2013 31 3 Download
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The Na + /H + exchanger is a ubiquitous membrane protein of bacteria, plants and mammals. The first isoform discov-ered (NHE1) is present on the mammalian plasma mem-brane and transports oneH + out of cells inexchange for one extracellular Na + . With solubilization in standard SDS/ PAGE buffer, this protein had a high tendency to aggregate when subjected to elevated temperature. The aggregates were stable and did not dissociate in high concentrations of SDSor 2-mercaptoethanol.
9p research12 29-04-2013 43 2 Download
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It is scientifically and industrially important 1 to clarify the stabilizing mechanism of proteases in extraordinary envi-ronments. We used subtilisins ALPI and Sendai as models to study the mechanism. Subtilisin ALPI is extremely sensitive to highly alkaline conditions, even though the enzyme is produced by alkalophilicBacillus, whereas sub-tilisin Sendai from alkalophilic Bacillusis stable under conditions of high alkalinity.
9p research12 23-04-2013 43 1 Download
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Recombinant, bacterially expressed apoptin protein induces apoptosis inhuman tumour cell lines but not innormal cells, mimicking the behaviour of ectopically expressed apoptin. Recombinant apoptin is isolated exclusively as a highly stablemultimeric complex of 30–40monomers, with little, if any,a-helical and b-sheet structure. Despite its apparent disorder, multimeric apoptin is biologically active. Here, we present evidence thatmost of the apoptinmoietieswithin the complex may well share a similar conformation.
9p tumor12 20-04-2013 27 2 Download
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The Tat system catalyzes the transport of folded globular proteins across the bacterial plasma membrane and the chloroplast thylakoid. It recognizes cleavable signal peptides containingacritical twin-argininemotif but little isknownof the overall structure of these peptides. In this report, we have analyzed the secondary structure of the SufI signal peptide, together with those of two nonfunctional variants in which the region around the twin-arginine, RRQFI, is replaced by KKQFI or RRQAA.
8p tumor12 20-04-2013 47 3 Download
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We report here the first crystal structure of a stable isosteric analogue of 1,3-bisphospho-D-glyceric acid (1,3-BPGA) bound to the catalytic domain of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH)in which the two phosphoryl moieties interact with Arg249. This complex possibly illustrates a step of the catalytic process by which Arg249 may induce compression of the product formed, allowing its expulsion fromthe active site.
13p fptmusic 12-04-2013 68 2 Download
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The CII protein of bacteriophagek, which activates the synthesis of thekrepressor, plays a key role in the lysis– lysogeny switch. CII has a small in vivo half-life due to its proteolytic susceptibility, and this instability is a key com-ponent for its regulatory role. The structural basis of this instability is not known. While studying guanidine hydro-chloride-assisted unfolding of CII, we found that low concentrations of the chaotrope (50–500 mM) have a con-siderable effect on the structure of this protein.
8p fptmusic 12-04-2013 36 1 Download
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The (ba)8-barrel is the most common enzyme fold and it is capable of cata-lyzing an enormous diversity of reactions. It follows that this scaffold should be an ideal starting point for engineering novel enzymes by directed evolution. However, experiments to date have utilized in vivo screens or selections and the compatibility of (ba)8-barrels with in vitro selection methods remains largely untested.
14p fptmusic 11-04-2013 39 2 Download
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The description of globular protein structures as an ensem-ble of contiguousclosed loops ortightened end fragments reveals fold elements crucial for the formation of stable structures and for navigating the very process of protein folding. These are the ends of the loops, which are spatially close to each other but are situated apart in the polypeptide chain by 25–30 residues. They also correlate with the loca-tions of highly conserved hydrophobic residues (referred to as topohydrophobic), in a structural alignment of the members of a protein family....
0p awards 05-04-2013 48 2 Download
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Approximately 400 million allergic patients are sensitized against group 1 grass pollen allergens, a family of highly cross-reactive allergens present in all grass species. We report the eukaryotic expression of the group 1 aller-gen from Timothy grass, Phl p 1, in baculovirus-infected insect cells. Domain elucidation by limited proteolysis and mass spectrometry of the purified recombinant glycoprotein indicates that the C-terminal 40% of Phl p 1, a major IgE-reactive segment, represents a stable domain....
0p awards 05-04-2013 25 1 Download
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The cometabolism of citrate and glucose by growing Lactococcus lactisssp. lactis bv. diacetylactis was studied using a natural-abundance stable isotope technique. By a judicious choice of substrates differing slightly in their 13 C/ 12 C ratios, the simultaneous metabolism of citrate and glucose to a range of compounds was analysed. These end-products include lactate, acetate, formate, diacetyl and acetoin. All these products have pyruvate as a common intermediate.
9p awards 05-04-2013 43 3 Download
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DNA helicases are molecularmotor enzymes that use the energy of NTP hydrolysis to separate transiently energetic-ally stable duplex DNA into single strands. They are there-fore essential in nearly all DNA metabolic transactions. They act as essential molecular tools for the cellular machinery. Since the discovery of the first DNA helicase in Escherichia coliin1976, several havebeen isolated fromboth prokaryotic and eukaryotic systems.
15p dell39 03-04-2013 49 3 Download