Combining phylogeny and coevolution improves the inference of interaction partners among paralogous proteins.

Predicting protein-protein interactions from sequences is an important goal of computational biology. Various sources of information can be used to this end. Starting from the sequences of two interacting protein families, one can use phylogeny or residue coevolution to infer which paralogs are specific interaction partners within each species. We show that these two signals can be combined to improve the performance of the inference of interaction partners among paralogs. For this, we first align the sequence-similarity graphs of the two families through simulated annealing, yielding a robust partial pairing. We next use this partial pairing to seed a coevolution-based iterative pairing algorithm. This combined method improves performance over either separate method. The improvement obtained is striking in the difficult cases where the average number of paralogs per species is large or where the total number of sequences is modest.

Understanding the effect of MXene in a TMO/MXene hybrid catalyst for the oxygen evolution reaction.

Very recently, it has been reported that mixed transition metal oxide (TMO)/MXene catalysts show improved performance over TMO only catalysts for the oxygen evolution reaction (OER). However, the reasoning behind this observation is unknown. In this work mixed Co(OH)2/Ti3C2Tx were prepared and characterized for the OER using ex situ and operando spectroscopy techniques in order to initiate the understanding of why mixed TMO/MXene materials show better performances compared to TMO only catalysts. This work shows that the improved electrocatalysis for the composite material compared to the TMO only catalyst is due to the presence of higher Co oxide oxidation states at lower OER overpotentials for the mixed TMO/MXene catalysts. Furthermore, the presence of the MXene allows for a more mechanically robust film during OER, making the film more stable. Finally, our results show that small amounts of MXene are more advantageous for the OER during long-term stability measurements, which is linked to the formation of TiO2. The sensitivity of MXene oxidation ultimately limits TMO/MXene composites under alkaline OER conditions, meaning mass fractions must be carefully considered when designing such a catalyst to minimize the residual TiO2 formed during its lifetime.

Additive Manufacturing of Ti3 C2 -MXene-Functionalized Conductive Polymer Hydrogels for Electromagnetic-Interference Shielding.

The ongoing miniaturization of devices and development of wireless and implantable technologies demand electromagnetic interference (EMI)-shielding materials with customizability. Additive manufacturing of conductive polymer hydrogels with favorable conductivity and biocompatibility can offer new opportunities for EMI-shielding applications. However, simultaneously achieving high conductivity, design freedom, and shape fidelity in 3D printing of conductive polymer hydrogels is still very challenging. Here, an aqueous Ti3 C2 -MXene-functionalized poly(3,4-ethylenedioxythiophene):polystyrene sulfonate ink is developed for extrusion printing to create 3D objects with arbitrary geometries, and a freeze-thawing protocol is proposed to transform the printed objects directly into highly conductive and robust hydrogels with high shape fidelity on both the macro- and microscale. The as-obtained hydrogel exhibits a high conductivity of 1525.8 S m-1 at water content up to 96.6 wt% and also satisfactory mechanical properties with flexibility, stretchability, and fatigue resistance. Furthermore, the use of the printed hydrogel for customizable EMI-shielding applications is demonstrated. The proposed easy-to-manufacture approach, along with the highlighted superior properties, expands the potential of conductive polymer hydrogels in future customizable applications and represents a real breakthrough from the current state of the art.

One-Dimensional (1D) Nanostructured Materials for Energy Applications.

At present, the world is at the peak of production of traditional fossil fuels. Much of the resources that humanity has been consuming (oil, coal, and natural gas) are coming to an end. The human being faces a future that must necessarily go through a paradigm shift, which includes a progressive movement towards increasingly less polluting and energetically viable resources. In this sense, nanotechnology has a transcendental role in this change. For decades, new materials capable of being used in energy processes have been synthesized, which undoubtedly will be the cornerstone of the future development of the planet. In this review, we report on the current progress in the synthesis and use of one-dimensional (1D) nanostructured materials (specifically nanowires, nanofibers, nanotubes, and nanorods), with compositions based on oxides, nitrides, or metals, for applications related to energy. Due to its extraordinary surface-volume relationship, tunable thermal and transport properties, and its high surface area, these 1D nanostructures have become fundamental elements for the development of energy processes. The most relevant 1D nanomaterials, their different synthesis procedures, and useful methods for assembling 1D nanostructures in functional devices will be presented. Applications in relevant topics such as optoelectronic and photochemical devices, hydrogen production, or energy storage, among others, will be discussed. The present review concludes with a forecast on the directions towards which future research could be directed on this class of nanostructured materials.

0D-1D Hybrid Silicon Nanocomposite as Lithium-Ion Batteries Anodes.

Lithium ion batteries (LIBs) are the enabling technology for many of the societal changes that are expected to happen in the following years. Among all the challenges for which LIBs are the key, vehicle electrification is one of the most crucial. Current battery materials cannot provide the required power densities for such applications and therefore, it makes necessary to develop new materials. Silicon is one of the proposed as next generation battery materials, but still there are challenges to overcome. Poor capacity retention is one of those drawbacks, and because it is tightly related with its high capacity, it is a problem rather difficult to address with common and scalable fabrication processes. Here we show that combining 0D and 1D silicon nanostructures, high capacity and stability can be achieved even using standard electrode fabrication processes. Capacities as high as 1200 mAh/g for more than 500 cycles at high current densities (2 A/g) were achieved with the produced hybrid 0D/1D electrodes. In this research, it was shown that while 0D nanostructures provide good strain relaxation capabilities, 1D nanomaterials contribute with enhanced cohesion and conductive matrix integrity.

Catalytic use of TiO2 nanowires in the photodegradation of Benzophenone-4 as an active ingredient in sunscreens.

Water contamination has compromised the quality of this resource during the last years with the presence of persistent organic pollutants. Because of the resistance of these compounds to degradation, several advance oxidation techniques have been proposed. In this study, we report the employment of an advance oxidation technique in the degradation of benzophenone-4 (BP-4), using TiO2 as catalyst, which was obtained following a fast-hydrothermal method. TiO2 nanowires (TiO2NWs) were fully characterized considering the morphology, elemental composition, oxidation states, vibrational modes and crystalline structure with SEM and TEM, EDS, XPS, FTIR and XRD, respectively. The photocatalytic degradation was carried out using a home-made photoreactor under slightly acidic conditions achieving an average of 90% removal. It was determined that the photocatalysis is the most probable route of degradation since the photolysis or catalysis procedures produce negligible contributions. An apparent kinetic constant of 1.29 × 10-2 min-1 was determined, according to a pseudo-first order reaction.

Synthesis Procedure of Highly Densely Packed Carbon Nanotube Forests on TiN.

The goal of this research was to obtain high-density single-walled carbon nanotube forests (SWNTs) on conductive substrates for different applications, including field emission. For this, dip-coating was chosen as the catalyst deposition method, to subsequently grow SWNTs by Alcohol Catalytic Chemical Vapor Deposition (AC-CVD). Si (100) was chosen as the substrate, which was then coated with a TiN thin film. By sputtering with Ar, it was possible to generate alternating TiN and Si lanes, with a different wettability and, therefore, a different affinity for the catalysts. As a result, the Mo‒Co catalyst was mainly deposited on TiN and not on sputtered-Si, which allowed the selective growth of SWNT forests on the TiN conductive surfaces. These as-synthesized SWNTs were used for field emission measurements in a high vacuum chamber.

TiO2-Based Nanomaterials for the Production of Hydrogen and the Development of Lithium-Ion Batteries.

The photocatalytic activity of different titanium oxide nanowires containing gold (Au@TiO2NWs), and gold-graphene (Au@TiO2NWs-graphene), was evaluated by studying the reaction of hydrogen production by water splitting under UV-vis light. The composites showed high surface areas, with values above 300 m2 per gram, even after the incorporation of gold and graphene on the surface of titanium oxide nanowires. The highest hydrogen production of Au@TiO2NWs was 1436 µmol h-1 g-1, under irradiation at 400 nm, and with a gold loading of 10 wt %. This photocatalytic activity was 11.5 times greater than that shown by the unmodified TiO2NWs. For the Au@TiO2NWs-graphene composites, the highest hydrogen amount obtained was 1689 µmol h-1 g-1, at loadings of 10 and 1 wt % of gold and graphene, respectively. The photocatalytic activity of the gold-graphene compounds was 1.2 times greater than that shown by the titanium oxide catalysts and 13.5 times higher than the bare TiO2NWs. Even at wavelengths greater than 500 nm, the compounds exhibited yields of hydrogen above 1000 µmol h-1 g-1, demonstrating the high catalytic activity of the compounds. In addition, TiO2-based materials are of great interest for energy storage and conversion devices, in particular for rechargeable lithium ion batteries. TiO2 has a significant advantage due to its low volume change (<4%) during the Li ion insertion/desertion process, short paths for fast lithium ion diffusion, and large exposed surface, offering more lithium insertion channels. However, the relatively low theoretical capacity and electrical conductivity of TiO2 greatly hamper its practical application. In this work, free-standing electrodes composed by TiO2NWs and carbon nanotubes, CNT@TiO2NWs, were used as anode materials for Li-ion batteries. As a result, the electronic conductivity and mechanical properties of the composite were greatly improved and a good cycling performance was obtained in these batteries. This research shows the potential of TiO2-based materials for the development of new catalysts for hydrogen production and energy storage systems.