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- POLITZER, P, et al.
(författare)
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ANALYTICAL REPRESENTATION AND PREDICTION OF MACROSCOPIC PROPERTIES - A GENERAL INTERACTION PROPERTIES FUNCTION
- 1995
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Ingår i: IMMUNOANALYSIS OF AGROCHEMICALS: EMERGING TECHNOLOGIES. - : AMER CHEMICAL SOC. - 0841231494 ; , s. 109-118
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Forskningsöversikt (refereegranskat)abstract
- We present a procedure whereby quantities computed for an isolated molecule can be used to represent and predict macroscopic properties that reflect molecular interactions. Such representations are all special cases of a General Interaction Properties Function (GIPF). The molecular quantities are evaluated on the surface of the molecule, defined as the 0.001 au contour of its electronic density; most of them are related to its electrostatic potential. Among the macroscopic properties for which GIPF expressions have been developed are aqueous acidities, boiling points, critical constants, partition coefficients, heats of vaporization, solubilities in supercritical fluids and hydrogen bonding parameters. The GIPF approach is expected to facilitate the design of molecules for specific purposes such as haptens in immunochemistry, since it identifies the key factors that determine particular properties and provides a means for evaluating proposed compounds prior to their syntheses.
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| 4. |
- Lane, G. J., et al.
(författare)
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Identification of excited states in doubly odd [Formula Presented]Sb : Smooth band termination
- 1997
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Ingår i: Physical Review C - Nuclear Physics. - 0556-2813. ; 55:5, s. 2127-2131
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Tidskriftsartikel (refereegranskat)abstract
- Excited states in [Formula Presented]Sb have been identified for the first time in a series of [Formula Presented]-spectroscopy experiments using both thin and backed targets, including neutron-fold and recoil-mass measurements to provide unambiguous channel identification. The three decoupled intruder bands observed in [Formula Presented]Sb are based upon configurations involving 2p-2h excitations across the [Formula Presented] shell gap and show the features of smooth band termination. The yrast intruder band, which has been connected to the low-spin levels, is tentatively identified up to its predicted termination at [Formula Presented]. Excellent agreement with configuration-dependent cranked Nilsson-Strutinsky calculations is obtained for the high-spin states near termination.
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| 5. |
- Simmonds, R E, et al.
(författare)
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Clarification of the risk for venous thrombosis associated with hereditary protein S deficiency by investigation of a large kindred with a characterized gene defect
- 1998
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Ingår i: Annals of Internal Medicine. - : American College of Physicians. - 0003-4819. ; 128:1, s. 8-14
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Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND: Protein S is an important regulatory protein of the coagulation cascade. The risk for venous thrombosis associated with protein S deficiency has been uncertain because all previous risk estimates used phenotypic evaluation alone, which can be ambiguous.OBJECTIVE: To quantitate the risk for thrombosis associated with a characterized protein S gene mutation that causes a Gly295-->Val substitution and protein S deficiency.DESIGN: Retrospective study of a single extended family.SETTING: University hospital referral center.PARTICIPANTS: A 122-member protein S-deficient family, in which 44 members had a recently characterized gene defect.MEASUREMENTS: Comprehensive history of thrombosis, history of exposure to acquired risk factors for thrombosis, levels of total and free protein S antigen, and genotype for the mutation causing the Gly295-->Val substitution.RESULTS: Kaplan-Meier analysis of thrombosis-free survival showed that the probability of remaining free of thrombosis at 30 years of age is 0.5 (95% CI, 0.33 to 0.66) for carriers of the Gly295-->Val mutation compared with 0.97 (CI, 0.93 to 1.0) for normal family members (P < 0.001). In a multivariate Cox regression model that included smoking and obesity, the mutation was a strong independent risk factor for thrombosis (hazard ratio, 11.5 [CI, 4.33 to 30.6]; P < 0.001). For free (but not total) protein S antigen levels, the distributions of persons with and persons without the mutation did not overlap.CONCLUSIONS: Protein S deficiency, as defined by the presence of a causative gene mutation or a reduced level of free protein S antigen, is a strong independent risk factor for venous thrombosis in a clinical affected family.
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