Association of bovine serum albumin and cetyltrimethylammonium chloride: An investigation of the effects of temperature and hydrotropes.

Interactions between bovine serum albumin (BSA) and cetyltrimethylammonium chloride (CTAC) were studied utilizing conductivity approach. The critical micelle concentration (CMC), micelle ionization (α) along with counter ion binding (β) of CTAC micellization in aqueous solutions of BSA/BSA + hydrotropes (HYTs) have been computed at 298.15-323.

Detection of stellar light from quasar host galaxies at redshifts above 6.

The detection of starlight from the host galaxies of quasars during the reionization epoch (z > 6) has been elusive, even with deep Hubble Space Telescope observations. The current highest redshift quasar host detected, at z = 4.5, required the magnifying effect of a foreground lensing galaxy.

Toward the remote monitoring of armed conflicts.

The war in Ukraine has pushed the role of satellite imagery in armed conflicts into the spotlight. For a long time, satellite images were primarily used for military and intelligence purposes, but today they permeate every aspect of armed conflicts. Their importance in influencing the course of armed conflicts will further grow as progress in deep learning makes automated analysis progressively possible.

Investigation of the impacts of simple electrolytes and hydrotrope on the interaction of ceftriaxone sodium with cetylpyridinium chloride at numerous study temperatures.

Herein, interactions between cetylpyridinium chloride (CPC) and ceftriaxone sodium (CTS) were investigated applying conductivity technique. Impacts of the nature of additives (e.g.

Theory of transition from brittle to ductile fracture.

In this paper, two improvements to the theory of transition from brittle to ductile fracture developed by Langer [J. S. Langer, Phys.

Estimation of agricultural burned affected area using NDVI and dNBR satellite-based empirical models.

One of the major crucial issues that need worldwide attention is open stubble burning, which imposes a variety of adverse impacts on nature and human society, destroying the world's biodiversity. Many earth observation satellites render information to monitor and assess agricultural burning activities. In this study, different remotely sensed data (Sentinel-2A, VIIRS) has been employed to estimate the quantitative measurements of agricultural burned areas of the Purba Bardhaman district from October-December 2018.

Small chromium-doped silicon clusters CrSi: structures, IR spectra, charge effect, magnetism and chirality.

A series of small chromium-doped silicon clusters with = 3-10 in the cationic, neutral and anionic charge states were investigated using quantum chemical methods. The CrSi cations with = 6-10 were produced in the gas phase and characterized by far-IR multiple photon dissociation (IR-MPD) spectroscopy. Good agreement between experimental spectra in the 200-600 cm frequency range and those determined for the lowest-energy isomers by density functional theory calculations (B3P86/6-311+G(d)) provide a strong support for the geometrical assignments.

A topological path to the formation of a quasi-planar B boron cluster and its dianion.

In view of the competing assignments regarding the most stable isomer of the B boron cluster including the quasi-planar and bilayer structures, we reinvestigated the structural motifs of B using a genetic algorithm for structure search (MEGA) in conjunction with density functional theory computations using the PBE functional. The quasi-planar structure was also constructed using the topological leapfrog algorithm. The latter search aimed to give us unique insight into its formation and the growth pattern of boron clusters.

Photodegradation of hazardous organic pollutants using titanium oxides -based photocatalytic: A review.

Titanium oxide-based photocatalysts (TOBPs) have been widely utilized as potential materials for numerous applications, such as wastewater treatment, water-splitting reactions, carbon dioxide (CO) reduction and photosynthesis. However, the large bandgap of intrinsic TiO limits their absorption toward visible light, which is the central part of the solar spectrum, resulting in low photocatalytic activities under sunlight. To overcome this obstacle, several strategies, such as doping with either metal or non-metal elements or combining with other compounds, are efficient ways to reduce the bandgap of TiO, leading to effectively extending their absorption toward the visible region and increasing their catalytic performance.

Integrating model development across computational neuroscience, cognitive science, and machine learning.

Neuroscience, cognitive science, and computer science are increasingly benefiting through their interactions. This could be accelerated by direct sharing of computational models across disparate modeling software used in each. We describe a Model Description Format designed to meet this challenge.

Mining for antimicrobial peptides in sequence space.

A machine-learning pipeline identifies potent antimicrobial peptides by gradually narrowing down the search space of polypeptide chain sequences.

Tit Structure-activity Relationship Study and Design of Novel 1, 8- Naphthimide Derivatives as Potential DNA-targeting Chemotherapeutic Agents for Osteosarcoma.

Background: 1, 8-naphthimide is a novel tumor inhibitor targeting nuclear DNA, which makes it applicable to the design and development of anti-osteosarcoma drugs.

Objective: The aim of this study is to establish a satisfactory model based on 1, 8-naphthimide derivatives that makes reliable prediction as DNA-targeted chemotherapy agents for osteosarcoma.

Methods: All compounds are constructed using ChemDraw software and subsequently optimized using Sybyl software.

Computational Design of Peptides for Biomaterials Applications.

Computer-aided molecular design and protein engineering emerge as promising and active subjects in bioengineering and biotechnological applications. On one hand, due to the advancing computing power in the past decade, modeling toolkits and force fields have been put to use for accurate multiscale modeling of biomolecules including lipid, protein, carbohydrate, and nucleic acids. On the other hand, machine learning emerges as a revolutionary data analysis tool that promises to leverage physicochemical properties and structural information obtained from modeling in order to build quantitative protein structure-function relationships.

Quantifying the movement, behaviour and environmental context of group-living animals using drones and computer vision.

Methods for collecting animal behaviour data in natural environments, such as direct observation and biologging, are typically limited in spatiotemporal resolution, the number of animals that can be observed and information about animals' social and physical environments. Video imagery can capture rich information about animals and their environments, but image-based approaches are often impractical due to the challenges of processing large and complex multi-image datasets and transforming resulting data, such as animals' locations, into geographical coordinates. We demonstrate a new system for studying behaviour in the wild that uses drone-recorded videos and computer vision approaches to automatically track the location and body posture of free-roaming animals in georeferenced coordinates with high spatiotemporal resolution embedded in contemporaneous 3D landscape models of the surrounding area.

Improving predictions of shale wettability using advanced machine learning techniques and nature-inspired methods: Implications for carbon capture utilization and storage.

The utilization of carbon capture utilization and storage (CCUS) in unconventional formations is a promising way for improving hydrocarbon production and combating climate change. Shale wettability plays a crucial factor for successful CCUS projects. In this study, multiple machine learning (ML) techniques, including multilayer perceptron (MLP) and radial basis function neural networks (RBFNN), were used to evaluate shale wettability based on five key features, including formation pressure, temperature, salinity, total organic carbon (TOC), and theta zero.

Upscaling dispersivity for conservative solute transport in naturally fractured media.

Physical heterogeneities are prevalent features of fracture systems and significantly impact transport processes in aquifers across different spatiotemporal scales. Upscaling solute transport parameter is an effective way of quantifying parameter variability in heterogeneous aquifers including fractured media. This paper develops conceptual models for upscaling conservative transport parameters in fracture media.

A new look at the structure of the neutral Au cluster: hollow filled golden cage.

The geometry of the neutral Au gold cluster was probed by a combination of quantum chemical calculations and far-infrared multiple photon dissociation (FIR-MPD) spectroscopy of a Kr messenger complex. Two low-lying isomers are identified to potentially contribute to the experimental IR spectrum, both being derived from a star-like Au structure upon capping with one extra Au atom either inside (18_1) or outside (18_5) the star. In particular, the present detection of structure 18_1 by DFT computations where a golden cage encapsulates an endohedral Au atom, is intriguing as a stable core-shell isomer has, to our knowledge, never been found before for such small neutral gold clusters.

Multiband Rabi antenna using nest microstrip add-drop filter (NMADF) for relativistic sensing applications.

A microstrip circuit is designed, constructed, and tested based on the nest microstrip add-drop filters (NMADF). The multi-level system oscillation is generated by the wave-particle behaviors of AC driven along the microstrip ring circular path. The continuous successive filtering is applied via the device input port.

Influence of twin-headed gemini micellar system on the study of methionine amino acid with ninhydrin in buffer solution.

The influence of double-headed gemini was examined in the present study by studying the amino acid methionine mixed with ninhydrin in CHCOOH-CHCOONa buffer solvent. The absorbance was monitored at fixed time intervals with UV-vis spectroscopy. An impact typical of surfactants was observed on the ninhydrin-methionine reaction and explained by a pseudo-phase model of micelles.

Advanced delivery systems for peptide antibiotics.

Antimicrobial peptides (AMPs) hold promise as alternatives to traditional antibiotics for preventing and treating multidrug-resistant infections. Although they have potent antimicrobial efficacy, AMPs are mainly limited by their susceptibility to proteases and potential off-site cytotoxicity. Designing the right delivery system for peptides can help to overcome such limitations, thus improving the pharmacokinetic and pharmacodynamic profiles of these drugs.

Covalently Functionalized Cellulose Nanoparticles for Simultaneous Enrichment of Pb(II), Cd(II) and Cu(II) Ions.

Cellulose nanoparticles are sustainable natural polymers with excellent application in environmental remediation technology. In this work, we synthesized cellulose nanoparticles and covalently functionalized them with a multi-functional group possessing ligands. The hybrid material shows excellent adsorption properties for the simultaneous extraction of multiple metal ions in the sample preparation technique.

Application of robust deep learning models to predict mine water inflow: Implication for groundwater environment management.

Traditional mine water inflow prediction is characterized by a high degree of uncertainty in model parameters and complex mechanisms involved in the water inflow process. Data-driven models play a key role in predicting inflow mechanisms without considering physical changes. However, the existing models are limited by nonlinearity and non-stationarity.

Reduced TiOwith prolonged electron lifetime for improving photocatalytic water reduction activity.

The reduction of anatase TiOwith NaBHunder argon atmosphere at a high temperature resulted in a longer electron lifetime and a larger electron population. The reduced gray anatase sample with disorder layer showed a higher evolution rate of H(130.2mol hg) compared to pristine TiO(24.