Reproductive success and the energetic cost of parental care in male smallmouth bass

Direct field measurements of the energetic expenditure on parental care and within-nest reproductive success of individual male smallmouth bass Micropterus dolomieui were determined by measuring the change in total body mass as well as by total body electroconductivity analysis (TOBEC™). With TOBEC, the change in total body lean mass of the same live individual was measured non-destructively at the beginning and end of the parental care period. Lean mass was the primary source of energy utilized during parental care indicating starvation and potential loss of future reproduction. Individual loss in lean mass was related positively to reproductive success suggesting that the energy expended during parental care does affect individual fitness.     

Natural selection. V. How to read the fundamental equations of evolutionary change in terms of information theory

The equations of evolutionary change by natural selection are commonly expressed in statistical terms. Fisher's fundamental theorem emphasizes the variance in fitness. Quantitative genetics expresses selection with covariances and regressions. Population genetic equations depend on genetic variances. How can we read those statistical expressions with respect to the meaning of natural selection? One possibility is to relate the statistical expressions to the amount of information that populations accumulate by selection. However, the connection between selection and information theory has never been compelling. Here, I show the correct relations between statistical expressions for selection and information theory expressions for selection. Those relations link selection to the fundamental concepts of entropy and information in the theories of physics, statistics and communication. We can now read the equations of selection in terms of their natural meaning. Selection causes populations to accumulate information about the environment.     

Intercompany Energy Integration

Reusing heat through process integration in heat exchanger networks has long been a key measure for increasing energy efficiency in energy‐intensive industries. Thermal pinch analysis is commonly used for a systematic matching of process streams and thus planning of optimal process integration in large chemical plants. The possible savings increase with the amount of heat and the number of integrated process streams. Therefore co‐ siting of several companies in a symbiotic network opens new opportunities for process integration even in small and medium‐size enterprises (SMEs), but also introduces new challenges. Thermal pinch analysis is extended here to account for piping distances and fluctuations and limited availability of energy flows by adding additional costs for the piping system and a backup utility system in the optimization function. Cooperative game theory is proposed to derive a sharing of savings between the partners of the industrial symbiosis that is optimal for each partner and should prevent partners from leaving the network because of higher benefits in a subgroup or alone. It is argued that knowledge about the optimality of a network for each partner creates trust between the partners that is a necessary base for the long‐term commitment needed in industrial symbioses. An exemplary symbiotic network combining the production of pulp and woody biomass energy carriers is used to illustrate the proposed approaches.     

Between cheap and costly signals: the evolution of partially honest communication

Costly signalling theory has become a common explanation for honest communication when interests conflict. In this paper, we provide an alternative explanation for partially honest communication that does not require significant signal costs. We show that this alternative is at least as plausible as traditional costly signalling, and we suggest a number of experiments that might be used to distinguish the two theories.     

Structural and spectroscopic study of 3,6-dibutanoic-1,2,4,5-tetroxane

This paper deals with the synthesis of 3,6-dibutanoic-1,2,4,5-tetroxane and the theoretical study of its IR and UV spectra as well as the determination of its optimized molecular structure. Theoretical calculations are performed at the molecular dynamics (MD), molecular mechanics, semi empirical, ab initio and density functional theory (DFT) levels. The different structural and electronic effects determining the molecular stability of the conformers are discussed in a comparative fashion.     

Structural model studies for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional calculations

Mössbauer isomer shift parameters have been obtained for both density functional theory (DFT) OPBE and OLYP functionals by linear regressions between the measured isomer shifts and calculated electron densities at Fe nuclei for a number of Fe^2+,2.5+ and Fe^{2.5+,3+,3.5+,4+} complexes grouped separately. The calculated isomer shifts and quadrupole splittings on the sample Fe complexes from OPBE and OLYP functionals are similar to those of PW91 calculations [J. Comput. Chem. 27 (2006) 1292], however the fit parameters from the linear regressions differ between PW91 and OPBE, OLYP. Four models for the active site structure of intermediate Q of the hydroxylase component of soluble methane monooxygenase (MMOH) have been studied, using three DFT functionals OPBE, OLYP, and PW91, incorporated with broken-symmetry methodology and the conductor-like screening (COSMO) solvation model. The calculated properties, including optimized geometries, electronic energies, pK_a’s, Fe net spin populations, and Mössbauer isomer shifts and quadrupole splittings, have been reported and compared with available experimental values. The high-spin antiferromagnetically (AF) coupled Fe⁴⁺ sites are correctly predicted by OPBE and OLYP methods for all active site models. PW91 potential overestimates the Fe-ligand covalencies for some of the models because of spin crossover. Our calculations and data analysis support the structure (our current model II shown in Fig. 8) proposed by Friesner and Lippard’s group [J. Am. Chem. Soc. 123 (2001) 3836-3837], which contains an Fe⁴⁺(μ-O)₂Fe⁴⁺ center, one axial water which also H-bonds to both side chains of Glu243 and Glu114, and one bidentate carboxylate group from the side chain of Glu144, which is likely to represent the active site of MMOH-Q. A new model structure (model IV shown in Fig. 9), which has a terminal hydroxo and a protonated His147 which is dissociated from a nearby Fe, is more asymmetric in its Fe(μ-O)₂Fe diamond core, and is another very good candidate for intermediate Q.     

Studies of gonadal sex differentiation

Gonadal differentiation has a determinative influence on sex development in human embryos. Disorders of sexual development (DSD) have been associated with persistent embryonal differentiation stages. Between 1998 and 2015, 139 female patients with various (DSD) underwent operations at the Scientific Center of Obstetrics, Gynaecology and Perynatology in Moscow, Russia. Clinical investigations included karyotyping, ultrasound imaging, hormonal measurement and investigations of gonadal morphology. The male characteristics in the embryo are imposed by testicular hormones. When these are absent or inactive, the fetus may be arrested at between developmental stages, or stay on indifferent stage and become phenotypically female. A systematic analysis of gonadal morphology in DSD patients and a literature review revealed some controversies and led us to formulate a new hypothesis about sex differentiation. Proliferation of the mesonephric system (tubules and corpuscles) in the gonads stimulates the masculinization of gonads to testis. Sustentacular Sertoli cells of the testes are derived from mesonephric excretory tubules, while interstitial Leydig cells are derived from the original mesenchyme of the mesonephros. According of the new hypothesis, the original mesonephric cells (tubules and corpuscles) potentially persist in the ovarian parenchyma. In female gonads, some mesonephric excretory tubules regress and lose the tubular structure, but form ovarian theca interna and externa, becoming analogous to the sustentacular Sertoli cells in the testis. The ovarian interstitial Leydig cells are derived from intertubal mesenchyme of the mesonephros, similar to what occurs in male gonads (testis). Surprisingly, the leading determinative factor in sexual differentiation of the gonads is the mesonephros, represented by the embryonic urinary system.