Recognizing conic TDI systems is hard

In this note we prove that the problem of deciding whether or not a set of integer vectors forms a Hilbert basis is co-NP-complete. Equivalently, deciding whether a conic linear system is totally dual integral or not, is co-NP-complete. These statements are true even if the vectors in the set or respectively the coefficient vectors of the inequalities are 0?C1 vectors having at most three ones.     

High-accuracy theoretical thermochemistry of atmospherically important sulfur-containing molecules

In this study, several sulfur-containing molecules with atmospherical importance were investigated by means of high-accuracy quantum chemical calculations including: HSO, HOS, HOSO2, HSNO, SH, CH2SO, CH2SH, S2COH, and SCSOH. After identifying the stable conformers of the molecules, a coupled-cluster-based composite model chemistry, which includes contributions up to quadruple excitations as well as corrections beyond the nonrelativistic and Born–Oppenheimer approximations, was applied to calculate the corresponding heat of formation (Δ(f)H(0)° and Δ(f)H(298)°) and entropy (S(298)°) values. In most of the cases, this study delivers more reliable estimates for the investigated thermodynamic properties than those reported in previous investigations. Our data also suggest that the experimental heats of formation associated with the HSO molecule are very likely to belong to its structural isomer, HOS. It is also confirmed by the calculated thermodynamic properties including standard reaction entropies, enthalpies, and equilibrium constants that, in the reaction CS2 + OH CS2OH, the SCSOH structural isomer is produced. It is also noted that the currently accepted Δ(f)H(0)°(S(gas)) = 274.73 ± 0.3 kJ/mol value is in need of revision, and based on a recent measurement, which is also confirmed by our computations, it is advised to update it to Δ(f)H(0)°(S(gas)) = 277.25 ± 0.3 kJ/mol.     

A control point based curve with two exponential shape parameters

A generalization of a recently developed trigonometric Bézier curve is presented in this paper. The set of original basis functions are generalized also for non-trigonometric functions, and essential properties, such as linear independence, nonnegativity and partition of unity are proved. The new curve—contrary to the original one—can be defined by arbitrary number of control points meanwhile it preserves the properties of the original curve.     

Codes that attain minimum distance in every possible direction

The following problem motivated by investigation of databases is studied. Let be a q-ary code of length n with the properties that has minimum distance at least n − k + 1, and for any set of k − 1 coordinates there exist two codewords that agree exactly there. Let f(q, k)be the maximum n for which such a code exists. f(q, k)is bounded by linear functions of k and q, and the exact values for special k and qare determined.      

One-pot method for the synthesis of sulfonated poly(1,3,4-oxadiazoles) based on 4,4’-oxydibenzoic acid

A series of new copolymers of poly(1,3,4-oxadiazole) that contain side protogenic sulfo groups are synthesized by the direct copolycondensation of terephthalic and 4,4’-oxydibenzoic acids and hydrazine sulfate in oleum. Variation in the polycondensation conditions makes it possible to synthesize copolymers containing phenylene moieties with either 4-sulfo-10,10-dioxophenoxatiine or 4,4’-oxybis(3-sulfophenyl) moieties or a combination of the three moieties. This approach permits easy control over the physicochemical properties of the copolymers and the amount of protogenic sulfo groups. It is shown that the introduction of sulfonated moieties into copolymer molecules makes it possible to obtain materials with high values of ionexchange capacity (1.5 mmol/g) and water absorption (110%), while the strength and thermal stability inherent in poly(p-phenylene 1,3,4-oxadiazoles) remain intact.     

Determination of the operational pH value of a buffering membrane by an isoelectric trapping separation of a carrier ampholyte mixture

The operational pH value of a buffering membrane used in an isoelectric trapping separation is determined by installing the membrane as the separation membrane into a multicompartmental electrolyzer operated in the two-separation compartment configuration. A 3相似文献   

A quantitative peptide structure vs. retention relationship study

The quantitative relationship between the TLC retention parameters of 28 short peptides and their physicochemical characteristics was calculated using linear regression analysis. It was established that surface parameters exert a significant impact on the retention of peptides and the ratio of non-polar surface area/polar surface area exerts the highest influence on the retention. This result may be due to the fact that peptides turn towards the apolar surface of the stationary phase with their non-polar substructures while the polar molecular parts point into the hydrophilic mobile phase.     

No four subsets forming an N

We survey results concerning the maximum size of a family F of subsets of an n-element set such that a certain configuration is avoided. When F avoids a chain of size two, this is just Sperner's theorem. Here we give bounds on how large F can be such that no four distinct sets A,B,C,D∈F satisfy A⊂B, C⊂B, C⊂D. In this case, the maximum size satisfies , which is very similar to the best-known bounds for the more restrictive problem of F avoiding three sets B,C,D such that C⊂B, C⊂D.     

Synthesis and characterization of a hypoxia-sensitive MRI probe

Tissue hypoxia occurs in pathologic conditions, such as cancer, ischemic heart disease and stroke when oxygen demand is greater than oxygen supply. An imaging method that can differentiate hypoxic versus normoxic tissue could have an immediate impact on therapy choices. In this work, the gadolinium(III) complex of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) with a 2-nitroimidazole attached to one carboxyl group via an amide linkage was prepared, characterized and tested as a hypoxia-sensitive MRI agent. A control complex, Gd(DO3A-monobutylamide), was also prepared in order to test whether the nitroimidazole side-chain alters either the water proton T(1) relaxivity or the thermodynamic stability of the complex. The stabilities of these complexes were lower than that of Gd(DOTA)(-) as expected for mono-amide derivatives. The water proton T(1) relaxivity (r(1)), bound water residence lifetime (τ(M)) and rotational correlation time (τ(R)) of both complexes was determined by relaxivity measurements, variable temperature (17) O?NMR spectroscopy and proton nuclear magnetic relaxation dispersion (NMRD) studies. The resulting parameters (r(1) =6.38?mM(-1) s(-1) at 20?MHz, τ(M) =0.71?μs, τ(R) =141?ps) determined for the nitroimidazole derivative closely parallel to those of other Gd(DO3A-monoamide) complexes of similar molecular size. In vitro MR imaging experiments with 9L rat glioma cells maintained under nitrogen (hypoxic) versus oxygen (normoxic) gas showed that both agents enter cells but only the nitroimidazole derivative was trapped in cells maintained under N(2) as evidenced by an approximately twofold decrease in T(1) measured for hypoxic cells versus normoxic cells exposed to this agent. These results suggest that the nitroimidazole derivative might serve as a molecular reporter for discriminating hypoxic versus normoxic tissues by MRI.