Saddle point search on an energy surface has broad applications in fields like materials science, physics, chemistry, and biology. In this paper, we present the shrinking dimer dynamics (SDD), a dynamic system which can be applied to locate a transition state on an energy surface corresponding to an index-1 saddle point where the Hessian has a negative eigenvalue. By searching for the saddle po...

BACKGROUND The gut microbiota is a reservoir of opportunistic pathogens that can cause life-threatening infections in critically ill patients during their stay in an intensive care unit (ICU). To suppress gut colonization with opportunistic pathogens, a prophylactic antibiotic regimen, termed "selective decontamination of the digestive tract" (SDD), is used in some countries where it improves c...

Analysis of progression of structural damage on an individual patient level in randomized controlled trials provides extra information in addition to the analysis on a group level. A cutoff level is required to define which patients show progression and which patients do not. The objective of the mimimal clinically important difference (MCID) module for plain films was to elaborate the various ...

Relative populations of three energy-lowest IPR (isolated-pentagon-rule) isomers Eu@C 88 are computed using the Gibbs energy based on characteristics from density functional theory and MP2 calculations (M06-2X/3-21G∼SDD entropy term, MP2=FU/6-31G*∼SDD or B2PLYPD=FU/6-31 + G*∼SDD energetics). The predict coexistence isomers, in agreement with extraction a polar solvent, offer possible explanatio...

OBJECTIVE The relationship between sexual abuse and eating disorders remains uncertain. Recent data have raised the possibility of differential rates of sexual abuse among subtypes of eating disorders. METHODS We studied women with three subtypes of eating disorders: (1) 26 anorexia nervosa subjects (AN); (2) 20 bulimia nervosa subjects with comorbid substance dependence (BN + SDD); and (3) 2...

A novel scheme for two-hop relaying defined as space division duplex (SDD) relaying is proposed. In SDD relaying, multiple antenna beamforming techniques are applied at the intermediate relay station (RS) in order to separate downlink and uplink signals of a bi-directional two-hop communication between two nodes, namely, S1 and S2. For conventional amplify-and-forward twohop relaying, there app...

The paper suggests a general approach to deriving upper bounds for ‖A−1Q‖∞ from those ‖A−1‖∞ matrices A belonging different subclasses of the class nonsingular ℌ-matrices. is applied SDD, S-SDD, OBS, OB, and Nekrasov matrices.

This study was conducted to compare the concentration of standardized digestible (SDD) Lys and relative bioavailable Lys in 7 sources of corn distillers dried grains with solubles (DDGS). A second objective was to evaluate 2 in vitro methods, reactive Lys and color score, to predict the concentration of SDD Lys and bioavailable Lys in DDGS. Seven sources of DDGS were fed to cecectomized rooster...

Shared decision diagram representations of a state-space provide efficient solutions for model-checking of large systems. However, decision diagram manipulation is tricky, as the construction procedure is liable to produce intractable intermediate structures (a.k.a peak effect). The denition of the so-called saturation method has empirically been shown to mostly avoid this peak effect, and all...