Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent Shielded Fab Dimer Interface

Molecular interactions between near IR fluorescent probes and specific antibodies may be exploited to generate novel smart probes for diagnostic imaging. Using a new phage display technology, we developed such antibody Fab fragments with subnanomolar binding affinity for tetrasulfocyanine, a near IR in vivo imaging agent. Unexpectedly, some Fabs induced redshifts of the dye absorption peak of up to 44 nm. This is the largest shift reported for a biological system so far. Crystal structure determination and absorption spectroscopy in the crystal in combination with microcalorimetry and small angle X ray scattering in solution revealed that the redshift is triggered by formation of a Fab dimer, with tetrasulfocyanine being buried in a fully closed protein cavity within the dimer interface. The derived principle of shifting the absorption peak of a symmetric dye via packaging within a Fab dimer interface may be transferred to other diagnostic fluorophores, opening the way towards smart imaging probes that change their wavelength upon interaction with an antibod

Characterization of new cumulenes C(2)NX(2) (X=O or S): Tandem mass spectrometry and ab initio studies

New cumulenic ions, SNCCO+, SCNCO+, SNCCS+, and SCNCS+, have been generated by dissociative ionization and characterized by tandem mass spectrometry techniques. The stabilities of the corresponding radicals were evaluated by neutralization-reionization (NR) experiments and supported by ab initio molecular orbital calculations at the G2(MP2,SVP) level. The neutral radicals, SNCCS., SCNCS., and SNCCO., are found by experiment and theory to be observable species in the gas phase, while SCNCO. is not accessible under NR conditions. All the cations are potential energy minima, and their calculated fragmentation energies are in reasonable accord with experiment

Gender as a module of identity construction in football fan scenes—female football fans as a deviation in a male space?

Winands M, Grau A, Diddens F, Zick A. Das Geschlecht als Baustein von Identitätskonstruktionen in Fußball-Fanszenen – weibliche Fußballfans als Abweichung in einem männlichen Raum? Soziale Passagen. 2019;11(2):323-343

Generation of two isomers of C5H from the corresponding anions. A theoretically motivated mass spectrometric study

Molecular orbital calculations have predicted the stability of a range of connectivities for the radical C5H potential surface. The most energetically favorable of these include the linear C4CH geometry and two ring-chain structures HC2C3 and C2C3H The corresponding anions are also shown to be theoretically stable, and furthermore, a fourth isomer, C2CHC2, is predicted to be the most stable anion connectivity. These results have motivated experimental efforts. Methodologies for the generation of the non-ring-containing isomeric anions C4CH and C2CHC2 have been developed utilizing negative ion mass spectrometry. The absolute connectivities of the anions have been established using deuterium labeling, charge reversal, and neutralization reionization techniques. The success of the latter experiment confirms theoretical predictions of stability of the corresponding neutral species. This is the first reported observation of the neutral C2CHC2 species that calculations predict to be substantially less stable than the C4CH connectivity but still bound relative to isomerization processes

Dishonesty in health care practice: A behavioral experiment on upcoding in neonatology

Dishonest behavior significantly increases the cost of medical care provision. Upcoding of patients is a common form of fraud to attract higher reimbursements. Imposing audit mechanisms including fines to curtail upcoding is widely discussed among health care policy-makers. How audits and fines affect individual health care providers' behavior is empirically not well understood. To provide new evidence on fraudulent behavior in health care, we analyze the effect of a random audit including fines on individuals' honesty by means of a novel controlled behavioral experiment framed in a neonatal care context. Prevalent dishonest behavior declines significantly when audits and fines are introduced. The effect is driven by a reduction in upcoding when being detectable. Yet upcoding increases when not being detectable as fraudulent. We find evidence that individual characteristics (gender, medical background, and integrity) are related to dishonest behavior. Policy implications are discussed