TY  - JOUR
A1  - Franzsico, Marcos A. S.
A1  - Fantuzzi, Felipe
A1  - Cardozo, Thiago M.
A1  - Esteves, Pierre M.
A1  - Engels, Bernd
A1  - Oliveira, Ricardo R.
T1  - Taming the Antiferromagnetic Beast: Computational Design of Ultrashort Mn-Mn Bonds Stabilized by N-Heterocyclic Carbenes
JF  - Chemistry—A European Journal
N2  - The development of complexes featuring low-valent, multiply bonded metal centers is an exciting field with several potential applications. In this work, we describe the design principles and extensive computational investigation of new organometallic platforms featuring the elusive manganese-manganese bond stabilized by experimentally realized N-heterocyclic carbenes (NHCs). By using DFT computations benchmarked against multireference calculations, as well as MO- and VB-based bonding analyses, we could disentangle the various electronic and structural effects contributing to the thermodynamic and kinetic stability, as well as the experimental feasibility, of the systems. In particular, we explored the nature of the metal-carbene interaction and the role of the ancillary η\(^{6}\) coordination to the generation of Mn\(_{2}\) systems featuring ultrashort metal-metal bonds, closed-shell singlet multiplicities, and positive adiabatic singlet-triplet gaps. Our analysis identifies two distinct classes of viable synthetic targets, whose electrostructural properties are thoroughly investigated.
KW  - metal-metal interactions
KW  - ab initio calculations
KW  - carbene ligands
KW  - density functional calculations
KW  - manganese
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-256874
VL  - 27
IS  - 47
ER  - 
TY  - JOUR
A1  - Adolfi, Mateus C.
A1  - Du, Kang
A1  - Kneitz, Susanne
A1  - Cabau, Cédric
A1  - Zahm, Margot
A1  - Klopp, Christophe
A1  - Feron, Romain
A1  - Paixão, Rômulo V.
A1  - Varela, Eduardo S.
A1  - de Almeida, Fernanda L.
A1  - de Oliveira, Marcos A.
A1  - Nóbrega, Rafael H.
A1  - Lopez-Roques, Céline
A1  - Iampietro, Carole
A1  - Lluch, Jérôme
A1  - Kloas, Werner
A1  - Wuertz, Sven
A1  - Schaefer, Fabian
A1  - Stöck, Matthias
A1  - Guiguen, Yann
A1  - Schartl, Manfred
T1  - A duplicated copy of id2b is an unusual sex-determining candidate gene on the Y chromosome of arapaima (Arapaima gigas)
JF  - Scientific Reports
N2  - Arapaima gigas is one of the largest freshwater fish species of high ecological and economic importance. Overfishing and habitat destruction are severe threats to the remaining wild populations. By incorporating a chromosomal Hi-C contact map, we improved the arapaima genome assembly to chromosome-level, revealing an unexpected high degree of chromosome rearrangements during evolution of the bonytongues (Osteoglossiformes). Combining this new assembly with pool-sequencing of male and female genomes, we identified id2bbY, a duplicated copy of the inhibitor of DNA binding 2b (id2b) gene on the Y chromosome as candidate male sex-determining gene. A PCR-test for id2bbY was developed, demonstrating that this gene is a reliable male-specific marker for genotyping. Expression analyses showed that this gene is expressed in juvenile male gonads. Its paralog, id2ba, exhibits a male-biased expression in immature gonads. Transcriptome analyses and protein structure predictions confirm id2bbY as a prime candidate for the master sex-determiner. Acting through the TGF beta signaling pathway, id2bbY from arapaima would provide the first evidence for a link of this family of transcriptional regulators to sex determination. Our study broadens our current understanding about the evolution of sex determination genetic networks and provide a tool for improving arapaima aquaculture for commercial and conservation purposes.
KW  - evolutionary genetics
KW  - genetic markers
KW  - genome
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-265672
VL  - 11
IS  - 1
ER  - 
TY  - JOUR
A1  - Du, Kang
A1  - Wuertz, Sven
A1  - Adolfi, Mateus
A1  - Kneitz, Susanne
A1  - Stöck, Matthias
A1  - Oliveira, Marcos
A1  - Nóbrega, Rafael
A1  - Ormanns, Jenny
A1  - Kloas, Werner
A1  - Feron, Romain
A1  - Klopp, Christophe
A1  - Parrinello, Hugues
A1  - Journot, Laurent
A1  - He, Shunping
A1  - Postlethwait, John
A1  - Meyer, Axel
A1  - Guiguen, Yann
A1  - Schartl, Manfred
T1  - The genome of the arapaima (Arapaima gigas) provides insights into gigantism, fast growth and chromosomal sex determination system
JF  - Scientific Reports
N2  - We have sequenced the genome of the largest freshwater fish species of the world, the arapaima. Analysis of gene family dynamics and signatures of positive selection identified genes involved in the specific adaptations and unique features of this iconic species, in particular it’s large size and fast growth. Genome sequences from both sexes combined with RAD-tag analyses from other males and females led to the isolation of male-specific scaffolds and supports an XY sex determination system in arapaima. Whole transcriptome sequencing showed that the product of the gland-like secretory organ on the head surface of males and females may not only provide nutritional fluid for sex-unbiased parental care, but that the organ itself has a more specific function in males, which engage more in parental care.
KW  - Genome
KW  - Genomics
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-201333
VL  - 9
ER  -