Molecular structures and conformational studies of triarylcyclopropyl and related nonsteroidal antiestrogens

Molecular structures and conformational characteristics of a series of 1,1-dichloro-2,2,3-triarylcyclopropanes (DTACs), which were reported previously to be distinctly antiestrogenic and inhibitors of the estrogen-receptor-positive MCF-7 human breast cancer cells in culture, are reported. In addition, structural and conformational features of the DTACs were compared to the first-known nonsteroidal antiestrogen, MER25, and the clinically useful antiestrogen Tamoxifen. The molecular structures of four DTAC compounds were determined by X-ray diffraction. Crystallographic structures show that the DTAC molecules have nearly the same relative conformation for the three aryl rings which is designated as a "nonpropeller" conformation in contrast to the observed "propeller" conformation for the three rings in all known triarylethylenes. Systematic conformational searches were performed to find the conformational preferences of DTACs, MER25, and Tamoxifen using idealized model compounds built from their respective crystal structure. Energy-minimization and conformational-search studies demonstrated that all DTAC molecules have a common, single global minimum energy conformer for their central core containing the dichlorotriarylcyclopropyl system, which is similar to that found in their crystal structures. Conformational search of MER25 showed that the molecule can assume a number of low-energy conformers of which two, one anti (A1) and one gauche (G1A), have about the same energy. The anti conformation is similar to the one observed in its crystal structure and resembles the estrogenic E-isomer of Tamoxifen, while the lowest energy gauche conformer of MER25 resembles more closely the antiestrogenic Z-isomer of Tamoxifen. NMR spectroscopic analysis of MER25 showed that the molecule exists predominantly in the anti conformation in solution. A comparative review of the structural features and bioactivities of Tamoxifen, DTACs, and MER25 provides a possible explanation for their low estrogen receptor binding affinity which is common to these compounds together with their antiestrogenic activity.     

The necessity of conducting to the end the activities of vector control in the onchocerciasis control program in west Africa: recall of the stakes and proposal of a minimum budget for the period 1998-2002

After a brief presentation of the Onchocerciasis Control Programme in West Africa (OCP), the authors realize the health and socioeconomic consequences that could follow a cessation of larvicide treatment before 2002 in the south-eastern and western extensions of the Programme. Taking into account that OCP activities are theoretically supported until 1997, but aware of financial constraints that will probably increase from now to 2002, this paper proposes an a minima estimation of the residual vector control activities for a "phasing out" spread out for five years (1998-2002). These estimations essentially concern the larvicide coverage, the insecticides used, the entomological surveillance, the logistical support and their financial aspects. As far as 48 U.S. $ million amount for 5 years are concerned, the budget allocated for vector control activities should not exceed the third of the global amount allocated to OCP for the actual fourth financial phase of the Programme (1992-1997).     

Long Duration Persistent Photocurrent in 3 nm Thin Doped Indium Oxide for Integrated Light Sensing and In-Sensor Neuromorphic Computation

Miniaturization and energy consumption by computational systems remain major challenges to address. Optoelectronics based synaptic and light sensing provide an exciting platform for neuromorphic processing and vision applications offering several advantages. It is highly desirable to achieve single-element image sensors that allow reception of information and execution of in-memory computing processes while maintaining memory for much longer durations without the need for frequent electrical or optical rehearsals. In this work, ultra-thin (<3 nm) doped indium oxide (In₂O₃) layers are engineered to demonstrate a monolithic two-terminal ultraviolet (UV) sensing and processing system with long optical state retention operating at 50 mV. This endows features of several conductance states within the persistent photocurrent window that are harnessed to show learning capabilities and significantly reduce the number of rehearsals. The atomically thin sheets are implemented as a focal plane array (FPA) for UV spectrum based proof-of-concept vision system capable of pattern recognition and memorization required for imaging and detection applications. This integrated light sensing and memory system is deployed to illustrate capabilities for real-time, in-sensor memorization, and recognition tasks. This study provides an important template to engineer miniaturized and low operating voltage neuromorphic platforms across the light spectrum based on application demand.     

A Boronate Ester Driven Rechargeable Antibacterial Membrane for Fast Molecular Sieving

Membrane decorated with biocides is an effective way to suppress biofilm growth. However, their immediate biocidal effect usually suffers from a significant decline due to the irreversible consumption of the biocides. Here, a smart nanofiltration membrane is reported with rechargeable antibacterial capability that is fabricated by a facile interfacial polymerization via 3-aminophenylboronic acid and trimesoyl chloride on a polysulfone substrate. Biocides bearing diol groups can be grafted onto the membrane surface under neutral/alkaline condition and then released from the surface under acidic environment, due to the pH-responsive feature of boronate ester complexes. The resultant membrane exhibits integrated properties of fast bacterial inactivating efficiency, rechargeable antibacterial capability, and impressive stability. In addition, the achieved membrane shows remarkable separation efficiency to dye/monovalent salt system. The successful fabrication of the membrane with rechargeable anti-bacterial property provides new insights into the development of pH-responsive and sustainable antibacterial membranes.     

Metal Single-Site Molecular Complex–MXene Heteroelectrocatalysts Interspersed Graphene Nanonetwork for Efficient Dual-Task of Water Splitting and Metal–Air Batteries

Development of multifunctional electrocatalysts with high efficiency and stability is of great interest in recent energy conversion technologies. Herein, a novel heteroelectrocatalyst of molecular iron complex (Fe_MC)-carbide MXene (Mo₂TiC₂T_x) uniformly embedded in a 3D graphene-based hierarchical network (GrH) is rationally designed. The coexistence of Fe_MC and MXene with their unique interactions triggers optimum electronic properties, rich multiple active sites, and favorite free adsorption energy for excellent trifunctional catalytic activities. Meanwhile, the highly porous GrH effectively promotes a multichannel architecture for charge transfer and gas/ion diffusion to improve stability. Therefore, the Fe_MC–MXene/GrH results in superb performances towards oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER) in alkaline medium. The practical tests indicate that Zn/Al–air batteries derived from Fe_MC–MXene/GrH cathodic electrodes produce high power densities of 165.6 and 172.7 mW cm⁻², respectively. Impressively, the liquid-state Zn–air battery delivers excellent cycling stability of over 1100 h. In addition, the alkaline water electrolyzer induces a low cell voltage of 1.55 V at 10 mA cm⁻² and 1.86 V at 0.4 A cm⁻² in 30 wt.% KOH at 80 °C, surpassing recent reports. The achievements suggest an exciting multifunctional electrocatalyst for electrochemical energy applications.     

Fabricating Strong and Stiff Bioplastics from Whole Spirulina Cells

Since the 1950s, 8.3 billion tonnes (Bt) of virgin plastics have been produced, of which around 5 Bt have accumulated as waste in oceans and other natural environments, posing severe threats to entire ecosystems. The need for sustainable bio-based alternatives to traditional petroleum-derived plastics is evident. Bioplastics produced from unprocessed biological materials have thus far suffered from heterogeneous and non-cohesive morphologies, which lead to weak mechanical properties and lack of processability, hindering their industrial integration. Here, a fast, simple, and scalable process is presented to transform raw microalgae into a self-bonded, recyclable, and backyard-compostable bioplastic with attractive mechanical properties surpassing those of other biobased plastics such as thermoplastic starch. Upon hot-pressing, the abundant and photosynthetic algae spirulina forms cohesive bioplastics with flexural modulus and strength in the range 3–5 GPa and 25.5–57 MPa, respectively, depending on pre-processing conditions and the addition of nanofillers. The machinability of these bioplastics, along with self-extinguishing properties, make them promising candidates for consumer plastics. Mechanical recycling and fast biodegradation in soil are demonstrated as end-of-life options. Finally, the environmental impacts are discussed in terms of global warming potential, highlighting the benefits of using a carbon-negative feedstock such as spirulina to fabricate plastics.     

Picture-Neutrosophic Trusted Safe Semi-Supervised Fuzzy Clustering for Noisy Data

Clustering is a crucial method for deciphering data structure and producing new information. Due to its significance in revealing fundamental connections between the human brain and events, it is essential to utilize clustering for cognitive research. Dealing with noisy data caused by inaccurate synthesis from several sources or misleading data production processes is one of the most intriguing clustering difficulties. Noisy data can lead to incorrect object recognition and inference. This research aims to innovate a novel clustering approach, named Picture-Neutrosophic Trusted Safe Semi-Supervised Fuzzy Clustering (PNTS3FCM), to solve the clustering problem with noisy data using neutral and refusal degrees in the definition of Picture Fuzzy Set (PFS) and Neutrosophic Set (NS). Our contribution is to propose a new optimization model with four essential components: clustering, outlier removal, safe semi-supervised fuzzy clustering and partitioning with labeled and unlabeled data. The effectiveness and flexibility of the proposed technique are estimated and compared with the state-of-art methods, standard Picture fuzzy clustering (FC-PFS) and Confidence-weighted safe semi-supervised clustering (CS3FCM) on benchmark UCI datasets. The experimental results show that our method is better at least 10/15 datasets than the compared methods in terms of clustering quality and computational time.     

Honey bees find the shortest path: a collective flow-mediated approach

Artificial Life and Robotics - Honey bees (Apis mellifera L.) are social insects that makes frequent use of volatile pheromone signals to collectively navigate unpredictable and unknown...     

An efficient approach for damage identification based on improved machine learning using PSO-SVM

Engineering with Computers - Structural health monitoring (SHM) and Non-destructive Damage Identification (NDI) using responses of structures under dynamic excitation have an imperative role in the...     

Stochastic Programming For Order Allocation And Production Planning

Stochastic demand is an important factor that heavily affects production planning. It influences activities such as purchasing, manufacturing, and selling, and quick adaption is required. In production planning, for reasons such as reducing costs and obtaining supplier discounts, many decisions must be made in the initial stage when demand has not been realized. The effects of non-optimal decisions will propagate to later stages, which can lead to losses due to overstocks or out-of-stocks. To find the optimal solutions for the initial and later stage regarding demand realization, this study proposes a stochastic two-stage linear programming model for a multi-supplier, multi-material, and multi-product purchasing and production planning process. The objective function is the expected total cost after two stages, and the results include detailed plans for purchasing and production in each demand scenario. Small-scale problems are solved through a deterministic equivalent transformation technique. To solve the problems in the large scale, an algorithm combining metaheuristic and sample average approximation is suggested. This algorithm can be implemented in parallel to utilize the power of the solver. The algorithm based on the observation that if the remaining quantity of materials and number of units of products at the end of the initial stage are given, then the problems of the first and second stages can be decomposed.