Highly Conductive Topologically Chiral Molecular Knots as Efficient Spin Filters.

Knot-like structures were found to have interesting magnetic properties in condensed matter physics. Herein, we report on topologically chiral molecular knots as efficient spintronic chiral material. The discovery of the chiral-induced spin selectivity (CISS) effect opens the possibility of manipulating the spin orientation with soft materials at room temperature and eliminating the need for a ferromagnetic electrode. In the chiral molecular trefoil knot, there are no stereogenic carbon atoms, and chirality results from the spatial arrangements of crossings in the trefoil knot structures. The molecules show a very high spin polarization of nearly 90%, a conductivity that is higher by about 2 orders of magnitude compared with that of other chiral small molecules, and enhanced thermal stability. A plausible explanation for these special properties is provided, combined with model calculations, that supports the role of electron-electron interaction in these systems.

Cloud-Based Quad Deep Ensemble Framework for the Detection of COVID-19 Omicron and Delta Variants.

The mortality rates of patients contracting the Omicron and Delta variants of COVID-19 are very high, and COVID-19 is the worst variant of COVID. Hence, our objective is to detect COVID-19 Omicron and Delta variants from lung CT-scan images. We designed a unique ensemble model that combines the CNN architecture of a deep neural network-Capsule Network (CapsNet)-and pre-trained architectures, i.e., VGG-16, DenseNet-121, and Inception-v3, to produce a reliable and robust model for diagnosing Omicron and Delta variant data. Despite the solo model's remarkable accuracy, it can often be difficult to accept its results. The ensemble model, on the other hand, operates according to the scientific tenet of combining the majority votes of various models. The adoption of the transfer learning model in our work is to benefit from previously learned parameters and lower data-hunger architecture. Likewise, CapsNet performs consistently regardless of positional changes, size changes, and changes in the orientation of the input image. The proposed ensemble model produced an accuracy of 99.93%, an AUC of 0.999 and a precision of 99.9%. Finally, the framework is deployed in a local cloud web application so that the diagnosis of these particular variants can be accomplished remotely.

Chirality Versus Symmetry: Electron's Spin Selectivity in Nonpolar Chiral Lead-Bromide Perovskites.

In the last decade, chirality-induced spin selectivity (CISS), the spin-selective electron transport through chiral molecules, has been described in a large range of materials, from insulators to superconductors. Because more experimental studies are desired for the theoretical understanding of the CISS effect, chiral metal-halide semiconductors may contribute to the field thanks to their chiroptical and spintronic properties. In this regard, this work uses new chiral organic cations S-HP1A and R-HP1A (HP1A = 2-hydroxy-propyl-1-ammonium) to prepare 2D chiral halide perovskites (HPs) which crystallize in the enantiomorphic space groups P43 21 2 and P41 21 2, respectively. The fourfold symmetry induces antiferroelectricity along the stacking axis which, combined to incomplete Rashba-like splitting in each individual 2D polar layer, results in rare spin textures in the band structure. As revealed by magnetic conductive-probe atomic force microscopy (AFM) measurements, these materials show CISS effect with partial spin polarization (SP; ±40-45%). This incomplete effect is efficient enough to drive a chiro-spintronic device as demonstrated by the fabrication of spin valve devices with magnetoresistance (MR) responses up to 250 K. Therefore, these stable lead-bromide HP materials not only represent interesting candidates for spintronic applications but also reveal the importance of polar symmetry-breaking topology for spin selectivity.

Geospatial assessment of agricultural drought vulnerability using integrated three-dimensional model in the upper Dwarakeshwar river basin in West Bengal, India.

The amount of agricultural drought vulnerability in an underdeveloped rain-fed agro-based economy at the local, regional, and national level is most prominent factor for measurement. The desiccation of rain in agricultural sector becomes apprehensive to intercontinental food supply chain. So, adequate investigation and development of sustainable agricultural methodology are key factors to sustain the food security of a territory. In this research, delineation of agricultural drought vulnerability (ADV) status has been carried out by multidimensional mixed-method index approach using remote sensing and geographic information system. An integrated three-dimensional model is utilized to enrich this study. The three indices of this model include exposure index (EI), sensitivity index (SI), and adaptive capacity index (ACI). The ACI has been constructed by combining the environmental adaptive capacity (EAC), social adaptive capacity (SAC), and economic adaptive capacity (EcAC) index. The 40 parameters for ADV modeling are picked up by analyzing meteorological, geo-environmental, social, and remote sensing data. There are six exposure parameters, seven sensitivity parameters, twelve environmental adaptive capacity parameters, six social adaptive capacity parameters, and nine economic adaptive capacity parameters. Each index has been computed by assigning the weights based on their relative importance by using the analytic hierarchy process (AHP) approach. Final results were classified into five vulnerability zones, e.g., very low, low, moderate, high, and very high covering an area 362.32 km2, 186.68 km2, 568.69 km2, 547.05 km2, and 266.89 km2 respectively. Results have been validated with long-term Aman paddy yield data (2004 to 2014) through the yield anomaly index (YAI). Finally, the model ADV is a good model fit (R square = 0.894) and all the relationships were found significant, when SI, EI, and ACI are considered its predictors. While SI (B = 0.391, p < 0.001) and EI (B = 0.223, p < 0.001) are positively associated with ADV, ACI is negatively associated with ADV (B = - 0.721, p < 0.001). This regional agricultural drought vulnerability model can be useful to identify drought-responsive areas and improve drought mitigation measures.

Conceptualising a channel-based overlapping CNN tower architecture for COVID-19 identification from CT-scan images.

Convolutional Neural Network (CNN) has been employed in classifying the COVID cases from the lungs' CT-Scan with promising quantifying metrics. However, SARS COVID-19 has been mutated, and we have many versions of the virus B.1.1.7, B.1.135, and P.1, hence there is a need for a more robust architecture that will classify the COVID positive patients from COVID negative patients with less training. We have developed a neural network based on the number of channels present in the images. The CNN architecture is developed in accordance with the number of the channels present in the dataset and are extracting the features separately from the channels present in the CT-Scan dataset. In the tower architecture, the first tower is dedicated for only the first channel present in the image; the second CNN tower is dedicated to the first and second channel feature maps, and finally the third channel takes account of all the feature maps from all three channels. We have used two datasets viz. one from Tongji Hospital, Wuhan, China and another SARS-CoV-2 dataset to train and evaluate our CNN architecture. The proposed model brought about an average accuracy of 99.4%, F1 score 0.988, and AUC 0.99.

Spin-induced asymmetry reaction-The formation of asymmetric carbon by electropolymerization.

We describe the spin polarization-induced chirogenic electropolymerization of achiral 2-vinylpyridine, which forms a layer of enantioenhanced isotactic polymer on the electrode. The product formed is enantioenriched in asymmetric carbon polymer. To confirm the chirality of the polymer film formed on the electrode, we also measured its electron spin polarization properties as a function of its thickness. Two methods were used: First, spin polarization was measured by applying magnetic contact atomic force microscopy, and second, magnetoresistance was assessed in a sandwich-like four-point contact structure. We observed high spin-selective electron transmission, even for a layer thickness of 120 nm. A correlation exists between the change in the circular dichroism signal and the change in the spin polarization, as a function of thickness. The spin-filtering efficiency increases with temperature.

Mutual Monomer Orientation To Bias the Supramolecular Polymerization of [6]Helicenes and the Resulting Circularly Polarized Light and Spin Filtering Properties.

We report on the synthesis and self-assembly of 2,15- and 4,13-disubstituted carbo[6]helicenes 1 and 2 bearing 3,4,5-tridodecyloxybenzamide groups. The self-assembly of these [6]helicenes is strongly influenced by the substitution pattern in the helicene core that affects the mutual orientation of the monomeric units in the aggregated form. Thus, the 2,15-substituted derivative 1 undergoes an isodesmic supramolecular polymerization forming globular nanoparticles that maintain circularly polarized light (CPL) with glum values as high as 2 × 10-2. Unlike carbo[6]helicene 1, the 4,13-substituted derivative 2 follows a cooperative mechanism generating helical one-dimensional fibers. As a result of this helical organization, [6]helicene 2 exhibits a unique modification in its ECD spectral pattern showing sign inversion at low energy, accompanied by a sign change of the CPL with glum values of 1.2 × 10-3, thus unveiling an example of CPL inversion upon supramolecular polymerization. These helical supramolecular structures with high chiroptical activity, when deposited on conductive surfaces, revealed highly efficient electron-spin filtering abilities, with electron spin polarizations up to 80% for 1 and 60% for 2, as measured by magnetic conducting atomic force microscopy.

A Joint Resource Allocation, Security with Efficient Task Scheduling in Cloud Computing Using Hybrid Machine Learning Techniques.

The rapid growth of cloud computing environment with many clients ranging from personal users to big corporate or business houses has become a challenge for cloud organizations to handle the massive volume of data and various resources in the cloud. Inefficient management of resources can degrade the performance of cloud computing. Therefore, resources must be evenly allocated to different stakeholders without compromising the organization's profit as well as users' satisfaction. A customer's request cannot be withheld indefinitely just because the fundamental resources are not free on the board. In this paper, a combined resource allocation security with efficient task scheduling in cloud computing using a hybrid machine learning (RATS-HM) technique is proposed to overcome those problems. The proposed RATS-HM techniques are given as follows: First, an improved cat swarm optimization algorithm-based short scheduler for task scheduling (ICS-TS) minimizes the make-span time and maximizes throughput. Second, a group optimization-based deep neural network (GO-DNN) for efficient resource allocation using different design constraints includes bandwidth and resource load. Third, a lightweight authentication scheme, i.e., NSUPREME is proposed for data encryption to provide security to data storage. Finally, the proposed RATS-HM technique is simulated with a different simulation setup, and the results are compared with state-of-art techniques to prove the effectiveness. The results regarding resource utilization, energy consumption, response time, etc., show that the proposed technique is superior to the existing one.

Biosynthesized CdS Nanoparticle Induces ROS-dependent Apoptosis in Human Lung Cancer Cells.

BACKGROUND: The World Health Organization (WHO) estimated that the number of cancer-related deaths was 9.6 million in 2018 and 2.09 million deaths occurred by lung cancer. The American Institute for Cancer Research (AICR) also observed gender preferences in lung cancer, common in men than women. Since the past decade, nanoparticles have now been widely documented for their anti-cancer properties, which signifies that the development of nanotechnology would be a future diagnosis and treatment strategy for lung cancer. OBJECTIVE: The current study aimed to investigate the role of biosynthesized CdS nanoparticles (CdS NPs) in lung cancer cells (A549). Therefore, whether the CdS NP induces lung cancer cell death and the underlying mechanism is yet to be elucidated. METHODS: Literature was searched from various archives of biomedical and life science journals. Then, CdS NPs were biosynthesized and characterized by traditional and cutting-edge protocols. The CdS NP-mediated cell death was elucidated following standard protocols. RESULTS: CdS NPs induced cytotoxicity towards A549 cells in a dose-dependent manner. However, such a death mechanism does not go through necrosis. Intracellular reactive oxygen species (ROS) accumulation and mitochondrial membrane depolarization demonstrated that cell death is associated with intracellular ROS production. Furthermore, increased sub-G1 population, Bax expression, and decreased Bcl-2 expression revealed that the death was caused by apoptosis. CONCLUSION: CdS NPs promote apoptosis-mediated lung cancer cell death through ROS production.

Metal Organic Spin Transistor.

Organic molecules and specifically bio-organic systems are attractive for applications due to their low cost, variability, environmental friendliness, and facile manufacturing in a bottom-up fashion. However, due to their relatively low conductivity, their actual application is very limited. Chiral metallo-bio-organic crystals, on the other hand, have improved conduction and in addition interesting magnetic properties. We developed a spin transistor using these crystals and based on the chiral-induced spin selectivity effect. This device features a memristor type behavior, which depend on trapping both charges and spins. The spin properties are monitored by Hall signal and by an external magnetic field. The spin transistor exhibits nonlinear drain-source currents, with multilevel controlled states generated by the magnetization of the source. Varying the source magnetization enables a six-level readout for the two-terminal device. The simplicity of the device paves the way for its technological application in organic electronics and bioelectronics.

Open Classic Latarjet Procedure Performed Using Freehand Technique-Surgical Technique and Outcome.

INTRODUCTION: Latarjet procedure is commonly performed for recurrent anterior shoulder instability with glenoid side bone loss. Classic Latarjet procedure can be performed using specially designed drill guides, jigs, or by freehand technique. Here we have described a technical note on classic Latarjet procedure performed with freehand technique utilizing simple rulers and caliper. The functional and radiological outcomes of our patients have also been analysed. MATERIAL AND METHODS: 149 open classic Latarjet procedures were performed using our technique between March 2015 and July 2018. The mean age of the patients was 32.95 years (Range 22-59 years). The functional outcome of the patients was measured using Western Ontario Shoulder Instability (WOSI) and Oxford Shoulder Instability Score (OSIS) at 2 years of follow-up. Screw and graft positioning were studied in 24 consecutive patients with a postoperative computed tomography (CT) scan. RESULTS: There was no incidence of recurrent subluxation or dislocation post-surgery. Mean OSIS score increased from 15.63 ± 3.20 preoperatively to 42.44 ± 3.88 postoperatively (p value < 0.05). WOSI score decreased significantly from 62.54% ± 8.24 to 10.26 ± 6.33 postoperatively at 2-year follow-up (p value < 0.05). Postoperative CT scan also showed satisfactory screw placement in all patients. CONCLUSION: Open Latarjet procedure performed using freehand technique provides good functional and radiological outcomes in patients with recurrent anterior shoulder instability with glenoid side bone loss. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s43465-021-00385-7.

Spin Filtering in Supramolecular Polymers Assembled from Achiral Monomers Mediated by Chiral Solvents.

In past studies, spin selective transport was observed in polymers and supramolecular structures that are based on homochiral building blocks possessing stereocenters. Here we address the question to what extent chiral building blocks are required for observing the chiral induced spin selectivity (CISS) effect. We demonstrate the CISS effect in supramolecular polymers exclusively containing achiral monomers, where the supramolecular chirality was induced by chiral solvents that were removed from the fibers before measuring. Spin-selective transport was observed for electrons transmitted perpendicular to the fibers' long axis. The spin polarization correlates with the intensity of the CD spectra of the polymers, indicating that the effect is nonlocal. It is found that the spin polarization increases with the samples' thickness and the thickness dependence is the result of at least two mechanisms: the first is the CISS effect, and the second reduces the spin polarization due to scattering. Temperature dependence studies provide the first support for theoretical work that suggested that phonons may contribute to the spin polarization.

Lattice Dynamics and Electron-Phonon Coupling in Lead-Free Cs2AgIn1-xBixCl6 Double Perovskite Nanocrystals.

Recently, lead free all-inorganic double perovskites have revolutionized photovoltaic research, showing promising light emitting efficiency and tunability via modification of inherent structural and chemical properties. Here, we report a combined experimental and theoretical study on the variation of carrier-lattice interaction and optoelectronic properties of Cs2AgIn1-xBixCl6 double perovskite nanocrystals with varying alloying concentrations. Our UV-vis study confirms the parity allowed first direct transition for x ≤ 0.25. Using a careful analysis of Raman spectra assisted with first-principles simulations, we assign the possible three types of active modes to intrinsic atomic vibrations; 2 T2g modes (one for translational motion of "Cs" and other for octahedral breathing), 1 Eg and 1 A1g mode for various stretching of Ag-Cl octahedra. Ab-initio simulation reveals dominant carrier-phonon scattering via Fröhlich mechanism near room temperature, with longitudinal optical phonons being effectively activated around 230 K. We observe a noticeable increase in hole mobility (∼4 times) with small Bi alloying, attributed to valence band (VB) maxima acquiring Bi-s orbital characteristics, thus resulting in a dispersive VB. We believe that our results should help to gain a better understanding of the intrinsic electronic and lattice dynamical properties of these compounds and provide a base toward improving the overall performance of double perovskite nanocrystals.

Highly Efficient and Tunable Filtering of Electrons' Spin by Supramolecular Chirality of Nanofiber-Based Materials.

Organic semiconductors and organic-inorganic hybrids are promising materials for spintronic-based memory devices. Recently, an alternative route to organic spintronic based on chiral-induced spin selectivity (CISS) is suggested. In the CISS effect, the chirality of the molecular system itself acts as a spin filter, thus avoiding the use of magnets for spin injection. Here, spin filtering in excess of 85% in helical π-conjugated materials based on supramolecular nanofibers at room temperature is reported. The high spin-filtering efficiency can even be observed in nanofibers assembled from mixtures of chiral and achiral molecules through chiral amplification effect. Furthermore and most excitingly, it is shown that both "up" and "down" orientations of filtered spins can be obtained in a single enantiopure system via the temperature-dependent helicity (P and M) inversion of supramolecular nanofibers. The findings showcase that materials based on helical noncovalently assembled systems are modular platforms with an emerging structure-property relationship for spintronic applications.

Biosynthesized CdS nanoparticles disturb E. coli growth through reactive oxygen production.

AIMS: E. coli is a widely known model organism for life science research, especially in modern bio-engineering and industrial microbiology. The goal of our current study is to understand the growth inhibitory mechanism of biosynthesized CdS nanoparticles on E. coli bacteria. MAIN METHODS: Characterization of Aspergillus foetidus mediated CdS nanoparticles has been confirmed by Zeta potential, AFM and HRTEM analyses. Furthermore, we investigated the contribution of reactive oxygen species (ROS) and subsequently lipid peroxidation on the growth of E. coli. FACS and fluorometric studies were used to know the ROS production upon CdS nanoparticle treatment. Lipid peroxidation measurement was studied by thiobarbituric acid (TBA) assay. KEY FINDINGS: The synthesized CdS nanoparticles are roughly spherical, poly-dispersed in nature and are in ~15 nm of size. Furthermore, our investigation confirmed that the cells treated with 200 µl of CdS nanoparticles produce about 50 % more ROS and about 5 times of lipid peroxidation over control cells. In addition, the number of E. coli colony survival and cell filamentation strongly depend on such lipid peroxidation caused by ROS, which actually produced due to the interaction with biosynthesized CdS nanoparticles in growth media. SIGNIFICANCE: The current research would be helpful for the mechanistic understanding of growth inhibition of E. coli by CdS nanoparticle. This may be useful for industrial applications of E. coli like bacteria.

Estrogen receptor α and ß gene polymorphism in relation to bone mineral density and lipid profile in Northeast Indian women.

Estrogen regulates bone homeostasis and has a cardio-protective effect. Its physiological functions are mediated through receptors (ER) whose expression can be regulated by presence or absence of polymorphisms. However, the association between ER polymorphisms and BMD as well as lipids are inconsistent. The aim of the study was to investigate whether polymorphisms in ESR are associated with bone mineral density (BMD) and lipids in a cohort of Indian women. We studied PvuII, XbaI polymorphisms in ESR1 and AluI, RsaI polymorphisms in ESR2 genes and their association with bone mineral density (BMD) and lipids in premenopausal (n = 293, mean age: 33.01 ±â€¯5.23 years) and postmenopausal (n = 145, mean age: 56.91 ±â€¯7.1 years) women from Northeast India. AluI and RsaI polymorphisms in ESR2 gene were associated with BMD in postmenopausal women. Logistic regression analysis adjusted for age, BMI, tobacco and alcohol consumption revealed that xx genotype in XbaI polymorphism is associated with osteopenia at spine (OR = 3.3, 95% CI = 1.067-10.204) in postmenopausal women suggesting that allele X is protective (OR = 0.419, 95% CI = 0.177-0.991). Genotype aa in AluI polymorphism, seemed to be protective (OR = 0.092 for osteopenia; OR = 0.152 for osteoporosis) at spine whereas A allele was associated with osteopenia at femur (OR = 2.123, 95% CI = 1.079-4.166) in postmenopausal women. Allele r of RsaI polymorphism, was associated with osteoporosis at spine (OR = 3.222, 95% CI = 1.302-7.96). Thus, AIuI polymorphism of ESR2 gene was associated with spinal and femoral BMD whereas RsaI only with spinal BMD in postmenopausal women and ESR genotypes were not associated with lipids.

Study of arsenic (III) removal by monolayer protected silver nanoadsorbent and its execution on prokaryotic system.

This work deals with the removal of arsenic by nanoadsorbent from aqueous environment that is subsequently applied to the biological system for the evaluation of its efficiency. We started our aspiration by the modification of carboxylate functionalized silver nanoparticle (nanoadsorbent) fabrication process. Batch mode arsenic uptake study by the nanoadsorbent was conducted considering several altering parameters and the reactants in addition to products were evaluated by several analytical techniques for the interpretation of the interaction mechanism. It was found nanoadsorbent, Ag@MSA is an efficient system for the exclusion of arsenic (III) from the aqueous system and due to the alteration in the ratio of silver content and protective agent, the characteristic profile of silver nanoparticles with an average diameter of 15 nm also became changed in respect of reported results. Here the low pH range (4-6) favors the interaction between nanoparticle and arsenic and it was found that the interaction was chemical in nature through adsorption or complex formation with surface carboxylate groups of the protecting agent (MSA). Following the interaction, a successful removal of arsenic (III) was achieved at a percentage of 94.16 with an initial concentration of 45 mg/L and equilibrium time of 60 min. Hence nanoparticles were executed against the toxic effect of arsenic in E. coli, an important gut microbe of higher animals, for the restoration of bacterial growth in arsenic pre-removed media. In this context the validation of this removal efficiency against arsenic induced toxicity was proved through several morphological studies, degree of oxidative damages and other biochemical attributes.

Tyrosine based cationic acrylates as potent antimicrobial agents against shigellosis.

Incorporation of tyrosine within synthetic macromolecules via the controlled radical polymerization technique is of particular interest due to the presence of a phenolic group in tyrosine imparting high inhibition potential. Tyrosine incorporation is also fascinating from a medicinal point of view since this particular amino acid is present in several natural antimicrobial peptides as a key constituent. This study describes a facile strategy to integrate the naturally occurring proteinogenic amino acid tyrosine within a polyacrylate system via the reversible addition fragmentation chain transfer polymerization technique to construct potent bioactive macromolecules against the microbial strain S. flexneri 2a causing shigellosis. The cationic charge and amphiphilic features inherited from the amino acid tyrosine mimic the function of natural antimicrobial peptides. A library of tyrosine polyacrylates has been synthesized to investigate the effect of molecular weight on antimicrobial activity. The time-dependent morphological switching observed via FESEM measurement revealed membrane rupture followed by leakage of cellular constituents as an effective mechanism of action of the biomimetic tyrosine-based polymers. The details of membrane disintegration and depolarization due to alteration in membrane potential have been evaluated via flow cytometric and fluorescence microscopic measurements. Most importantly, the side chain tyrosine-based polymers show fascinating biocidal features against the Gram-positive methicillin-resistant Staphylococcus aureus (MRSA) bacterial strain, the major causative agent of nosocomial infections. The broad spectrum nature of the polymers has been further investigated against the fungus Aspergillus niger and another Gram-negative bacterium, Escherichia coli.

Seroprevalence of bluetongue and presence of viral antigen and type-specific neutralizing antibodies in goats in Tripura, a state at Indo-Bangladesh border of northeastern India.

Bluetongue (BT) is a notifiable multiple species transboundary viral disease of domestic and wild ruminants. Though the disease is enzootic in India, little is known of the disease burden and prevalent serotypes in Tripura, a hilly state of northeastern India sharing a vast porous border with Bangladesh. A surveillance study was conducted to understand the disease burden in goats in Tripura. Serum (n = 1240) and blood (n = 194) samples were collected during the year 2014 to 2017 from all the eight districts of Tripura. The overall prevalence of BT seroconversion was 47.58% whereas the presence of viral antigen was 20.61% at the individual level. Percent seroconversion was found more (50.47 ± 4.00, CI 41.31 to 49.47) in adult goats in comparison to the younger animals where it was 45.39 ± 2.08, CI 42.63 to 58.31. Presence of neutralizing antibodies in selected serum samples (n = 72) was investigated by serum neutralization test (SNT) against six bluetongue virus (BTV) serotypes and BTV-1 was found as most predominant (65.27%) followed by BTV-16 (26.38%), BTV-10 (20.83%), BTV-9 and 23 (13.88%), and BTV-2 (6.94%). To the best of our knowledge, this is the first study conducted in Tripura to investigate the presence of BTV antigen and type-specific neutralizing antibodies in apparently healthy goats.