Noncentrosymmetric Tetrel Pnictides RuSi4P4 and IrSi3P3: Nonlinear Optical Materials with Outstanding Laser Damage Threshold

Noncentrosymmetric (NCS) tetrel pnictides have recently generated interest as nonlinear optical (NLO) materials due to their second harmonic generation (SHG) activity and large laser damage threshold (LDT). Herein nonmetal-rich silicon phosphides RuSi₄P₄ and IrSi₃P₃ are synthesized and characterized. Their crystal structures are reinvestigated using single crystal X-ray diffraction and ²⁹Si and ³¹P magic angle spinning NMR. In agreement with previous report RuSi₄P₄ crystallizes in NCS space group P1, while IrSi₃P₃ is found to crystallize in NCS space group Cm, in contrast with the previously reported space group C2. A combination of DFT calculations and diffuse reflectance measurements reveals RuSi₄P₄ and IrSi₃P₃ to be wide bandgap (E_g) semiconductors, E_g = 1.9 and 1.8 eV, respectively. RuSi₄P₄ and IrSi₃P₃ outperform the current state-of-the-art infrared SHG material, AgGaS₂, both in SHG activity and laser inducer damage threshold. Due to the combination of high thermal stabilities (up to 1373 K), wide bandgaps (≈2 eV), NCS crystal structures, strong SHG responses, and large LDT values, RuSi₄P₄ and IrSi₃P₃ are promising candidates for longer wavelength NLO materials.     

Facile preparation and strong adhesive strength of honeycomb polyurethane films with small pore diameter

With the continuous development of bionics, such as, geckos and virginia creeper with both superhydrophobic and super-adhesive, the surface wetting and super-adhesive properties of various porous materials have attracted extensive attention of the scientific and medical communities. Here, the honeycomb polyurethane (PU) porous films with strong adhesion were successfully prepared by microphase separation method and the effects of growth parameters on their microstructure and adhesive strength to ice were investigated. It was found that a high relative humidity (e.g., 100%) and a low solution concentration (e.g., 2%) facilitated the formation of ordered honeycomb PU porous films, and as-prepared PU pores with average pore diameter as small as 5 μm are better ordered and more uniform than these in related documents. Although the contact angle of water droplets on the surface of PU porous films increased from the premodification value of 85–130° to more than 160° after surface modification with polydopamine (PDA), the corresponding rolling angle remained approximately constant (180°), indicating that the surface of PU porous films has strong adhesion similar to geckos and virginia creeper. Furthermore, at lower temperature, the PU porous films exhibited the high adhesive strength of 142.13 kPa on ice, which was strongly dependent on the porous microstructures and surface compositions. The improved adhesive behavior to ice of honeycomb PU porous films modified with PDA provides new strategies for surface modification of materials and potential applications in medical domain.     

Prediction of Chameleonic Efficiency

Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non-polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405-1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non-polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Ų was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R²=0.92) with an experimental measure of hydrogen bond donor potential, Δlog P_oct-tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.     

A Case Report of Germline Compound Heterozygous Mutations in the BRCA1 Gene of an Ovarian and Breast Cancer Patient

The germline carrier of the BRCA1 pathogenic mutation has been well proven to confer an increased risk of breast and ovarian cancer. Despite BRCA1 biallelic pathogenic mutations being extremely rare, they have been reported to be embryonically lethal or to cause Fanconi anemia (FA). Here we describe a patient who was a 48-year-old female identified with biallelic pathogenic mutations of the BRCA1 gene, with no or very subtle FA-features. She was diagnosed with ovarian cancer and breast cancer at the ages of 43 and 44 and had a strong family history of breast and gynecological cancers.     

Categorical observers for metamerism

A method is proposed to generate categorical colour observer functions (individual colour matching functions) for any field size based on the CIE 2006 system of physiological observer functions. The method combines proposed categorical observer techniques of Sarkar et al with a physiologically-based individual observer model of Asano et al and a clustering technique to produce the optimal set of categorical observers. The number of required categorical observers varies depending on an application with as many as 50 required to predict individual observers' matches when a laser projector is viewed. However, 10 categorical observers are sufficient to represent colour-normal populations for personalized colour imaging. The proposed and recommended categorical observers represent a robust and inclusive technique to examine and quantify observer metamerism in any application of colorimetry.     

Multimodal sensing and active continuous closed‐loop feedback for achieving reliable manipulation in the outdoor physical world

The use of field robots can greatly decrease the amount of time, effort, and associated risk compared to if human workers were to carryout certain tasks such as disaster response. However, transportability and reliability remain two main issues for most current robot systems. To address the issue of transportability, we have developed a lightweight modularizable platform named AeroArm. To address the issue of reliability, we utilize a multimodal sensing approach, combining the use of multiple sensors and sensor types, and the use of different detection algorithms, as well as active continuous closed‐loop feedback to accurately estimate the state of the robot with respect to the environment. We used Challenge 2 of the 2017 Mohammed Bin Zayed International Robotics Competition as an example outdoor manipulation task, demonstrating the capabilities of our robot system and approach in achieving reliable performance in the fields, and ranked fifth place internationally in the competition.     

Multi-objective particle swarm optimisation based integrated production inventory routing planning for efficient perishable food logistics operations

Sustainable and efficient food supply chain has become an essential component of one’s life. The model proposed in this paper is deeply linked to people's quality of life as a result of which there is a large incentive to fulfil customer demands through it. This proposed model can enhance food quality by making the best possible food quality accessible to customers, construct a sustainable logistics system considering its environmental impact and ensure the customer demand to be fulfilled as fast as possible. In this paper, an extended model is examined that builds a unified planning problem for efficient food logistics operations where four important objectives are viewed: minimising the total expense of the system, maximising the average food quality along with the minimisation of the amount of CO₂ emissions in transportation along with production and total weighted delivery lead time minimisation. A four objective mixed integer linear programming model for intelligent food logistics system is developed in the paper. The optimisation of the formulated mathematical model is proposed using a modified multi-objective particle swarm optimisation algorithm with multiple social structures: MO-GLNPSO (Multi-Objective Global Local Near-Neighbour Particle Swarm Optimisation). Computational results of a case study on a given dataset as well as on multiple small, medium and large-scale datasets followed by sensitivity analysis show the potency and effectiveness of the introduced method. Lastly, there has been a scope for future study displayed which would lead to the further progress of these types of models.