Incommensurate phase in Λ-cobalt (III) sepulchrate trinitrate governed by highly competitive N–H···O and C–H···O hydrogen bond networks

Phase transitions in molecular crystals are often determined by intermolecular interactions. The cage complex of [Co(C12H30N8)]3+·3NO3– is reported to undergo a disorder–order phase transition at Tc1 ≈ 133 K upon cooling. Temperature-dependent neutron and synchrotron diffraction experiments revealed satellite reflections in addition to main reflections in the diffraction patterns below Tc1. The modulation wave vector varies as function of temperature and locks in at Tc3 ≈ 98 K. Here, we demonstrate that the crystal symmetry lowers from hexagonal to monoclinic in the incommensurately modulated phases in Tc1 ˂ T ˂ Tc3. Distinctive levels of competitions: trade-off between longer N–H···O and shorter C–H···O hydrogen bonds; steric constraints to dense C-H···O bonds give rise to pronounced modulation of the basic structure. Severely frustrated crystal packing in the incommensurate phase is precursor to optimal balance of intermolecular interactions in the lock-in phase.

Evaluasi fertilitas, daya tetas, dan kualitas DOD dari itik Alabimaster, Mojomaster, dan Mojomaster x Alabimaster

<p class="MDPI17abstract"><strong>Objective: </strong>The evaluating of the fertility, hatchability, and DOD quality of the ducks selected by the Indonesian Research Institute for Animal Production (Balitnak) consisting of Alabimaster, Mojomaster, and Mojomaster x Alabimaster (MASTER) ducks.</p><p class="MDPI17abstract"><strong>Methods: </strong>The research was conducted at the Ducks Cage Complex, Balitnak. Using 9,388 Alabimaster duck eggs, 1,635 Mojomaster duck eggs, and 7,638 Mojomaster x Alabimaster (MASTER) duck eggs. The variables observed included fertility, hatchability, and DOD quality. The DOD criteria chosen were healthy, agile, not blind, not disabled, not weak, not wet, and not omphalitis. Completely Randomized Design (CRD) was used and the calculation of the average data for all variables was processed with the help of the SPSS 25.0 program. If there is a difference in value, then the test is carried out with the Duncan Multiple Range Test.<strong></strong></p><p class="MDPI17abstract"><strong>Results: </strong>The fertility percentage of Alabimaster, Mojomaster, and MASTER ducks did not show any difference (P&gt;0.05) but seen from the relatively high percentage value because it gave a figure of 94%. The percentage of hatchability was significantly different (P&lt;0.05) for the three ducks. The percentage of DOD that passed the selection, MASTER ducks gave a higher value than the other two ducks. The ratio of male and female cubs for the three ducks showed that there were more male than female cubs, but still within the normal range.<strong></strong></p><strong>Conclusions: </strong>The average fertility, hatchability, and DOD selected from the hatching eggs of Alabimaster, Mojomaster, and MASTER ducks resulted from the research being quite good.

Implementation of Automatic Transfer Switch on the Solar Home System at the Goat Farm Houses

In Pirak Mertosutan Hamlet, Sleman, Yogyakarta, there is a goat farm complex with about 600 m2. The intricate lighting comes from the National Electricity Company (PLN) and the Solar Home System (SHS). SHS is the primary energy source for lighting, while PLN is a secondary energy source that replaces it when the power supply from SHS goes out. So far, the transfer from SHS to PLN has been carried out by humans. This fact is considered inefficient because the SHS supply does not always die during the day. At night, the officers who move the difficulties have to go to the cage complex located relatively far from residential areas. To facilitate the transfer of energy sources from SHS to PLN and vice versa. It does not need to be done by officers. It is necessary to automatically install a means to automatically move the two sources automatically. This tool is the Automatic Transfer Switch (ATS). This tool can move the energy supply from SHS to PLN and vice versa. By considering the specifications used in the SHS in the farm complex, the ATS is made and then installed in the farm complex. After the installation is carried out, the functional test is carried out. The ATS installation test results show that the ATS can work according to the design; namely, when the SHS is off, the source used is automatically switched to PLN. When the SHS is on, the source that was using PLN will automatically switch to SHS.

A [Pd2L4]4+ cage complex for n-octyl-β-d-glycoside recognition

A Pd2L4 coordination cage with improved solubility properties was prepared and used to bind n-octyl glycosides, showing a preference for the all equatorial n-octyl glucoside.

Computational Screening for Nested Organic Cage Complexes

Supramolecular self-assembly has allowed the synthesis of beautiful and complex molecular architectures, such as cages, macrocycles, knots, catenanes, and rotaxanes. We focus here on porous organic cages, which are molecules that have an intrinsic cavity and multiple windows. These cages have been shown to be highly effective at molecular separations and encapsulations. We investigate the possibility of complexes where one cage sits within the cavity of another. We term this a `nested cage' complex. The design of such complexes is highly challenging, so we use computational screening to explore 8712 different pair combinations, running almost 0.5M calculations to sample the phase space of the cage conformations. Through analysing the binding energies of the assemblies, we identify highly energetically favourable pairs of cages in nested cage complexes. The vast majority of the most favourable complexes include the large imine cage reported by Gawronski and co-workers using a [8+12] reaction of 4-tert-butyl-2,6-diformylphenol and cis,cis-1,3,5-triaminocyclohexane. The most energetically favourable nested cage complex combines the Gawronski cage with a dodecaamide cage that has six vertices, which can sit in the six windows of the larger cage. We also identify cages that have favourable binding energies for self-catenation.

Computational Screening for Nested Organic Cage Complexes

Supramolecular self-assembly has allowed the synthesis of beautiful and complex molecular architectures, such as cages, macrocycles, knots, catenanes, and rotaxanes. We focus here on porous organic cages, which are molecules that have an intrinsic cavity and multiple windows. These cages have been shown to be highly effective at molecular separations and encapsulations. We investigate the possibility of complexes where one cage sits within the cavity of another. We term this a `nested cage' complex. The design of such complexes is highly challenging, so we use computational screening to explore 8712 different pair combinations, running almost 0.5M calculations to sample the phase space of the cage conformations. Through analysing the binding energies of the assemblies, we identify highly energetically favourable pairs of cages in nested cage complexes. The vast majority of the most favourable complexes include the large imine cage reported by Gawronski and co-workers using a [8+12] reaction of 4-tert-butyl-2,6-diformylphenol and cis,cis-1,3,5-triaminocyclohexane. The most energetically favourable nested cage complex combines the Gawronski cage with a dodecaamide cage that has six vertices, which can sit in the six windows of the larger cage. We also identify cages that have favourable binding energies for self-catenation.