MoSe-Layered Nanosheet Decorated SnO Hollow Nanofiber-Based Highly Sensitive and Selective Room Temperature HS Gas Sensor.

In this work, we successfully demonstrated a MoSe@SnO nanocomposite-based room temperature HS gas sensor. A sensing mechanism was proposed based on experimental results and density functional theory calculations. The FESEM micrographs of the heterostructure formed by hydrothermally grown MoSe-layered nanosheets and SnO-hollow nanofiber result in a high surface area for HS gas adsorption.

Block copolymer-derived recessed nanodisk-array electrodes for electrochemical detection of β-lactam antibiotics.

Antimicrobial resistance (AMR) is one of the major socio-economic factors contributing to public health. β-lactams are most commonly prescribed drugs for variety of bacterial infections. Frequent use of antibiotics leads to AMR in humans and animals.

Electrospun nanofibres in drug delivery: advances in controlled release strategies.

Emerging drug-delivery systems demand a controlled or programmable or sustained release of drug molecules to improve therapeutic efficacy and patient compliance. Such systems have been heavily investigated as they offer safe, accurate, and quality treatment for numerous diseases. Amongst newly developed drug-delivery systems, electrospun nanofibres have emerged as promising drug excipients and are coming up as promising biomaterials.

Flexible and free-standing bacterial cellulose derived cathode host and separator for lithium-sulfur batteries.

This study demonstrates flexible, ultra-high rate, and long cycle life lithium‑sulfur batteries using bacterial cellulose (BC) derived cathode host as well as separator. The work also includes a new strategy to use active sulfur in the form of catholyte added directly to the electrolyte for improved sulfur utilization. The fabricated LiS cell with carbonized bacterial cellulose (CBC) as a cathode host and BC as a separator (CBC@BC) delivers an impressive capacity of 740 mAh g at 1C.

Mitigating losses: how scientific organisations can help address the impact of the COVID-19 pandemic on early-career researchers.

Scientific collaborations among nations to address common problems and to build international partnerships as part of science diplomacy is a well-established notion. The international flow of people and ideas has played an important role in the advancement of the 'Sciences' and the current pandemic scenario has drawn attention towards the genuine need for a stronger role of science diplomacy, science advice and science communication. In dealing with the COVID-19 pandemic, visible interactions across science, policy, science communication to the public and diplomacy worldwide have promptly emerged.

Correction: Mitigating losses: how scientific organisations can help address the impact of the COVID-19 pandemic on early-career researchers.

[This corrects the article DOI: 10.1057/s41599-021-00944-1.].

A novel design of microfluidic platform for metronomic combinatorial chemotherapy drug screening based on 3D tumor spheroid model.

For treating cancer at various stages, chemotherapy drugs administered in combination provide better treatment results with lower side effects compared to single-drug therapy. However, finding the potential drug combinations has been challenging due to the large numbers of possible combinations from approved drugs and the failure of in vitro 2D well plate-based cancer models. 3D spheroid-based high-throughput microfluidic platforms recapitulate some of the important features of native tumor tissue and offer a promising alternative to evaluate the combinatory effects of the drugs.

Molecular Insights of 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole as CRF-1 Receptor Antagonists: Combined QSAR, Glide Docking, Molecular Dynamics, and ADME Studies.

Stress-dependent disorders cause severe harm to human health and trigger the risk of neurodegenerative disorder. Corticotropin-releasing factor-1 receptor was found to be a potent drug target.We evaluate the essential structural residues for pharmacophore identification through 2D and 3D QSAR analysis and identify the binding residues for a possible mechanism of CRF-1 binding with 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole derivatives through molecular docking and molecular dynamics simulations.

Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies.

Despite the intensive research efforts towards antiviral drug against COVID-19, no potential drug or vaccines has not yet discovered. Initially, the binding site of COVID-19 main protease was predicted which located between regions 2 and 3. Structure-based virtual screening was performed through a hierarchal mode of elimination technique after generating a grid box.

Synthesis, characterization and application of a non-flammable dicationic ionic liquid in lithium-ion battery as electrolyte additive.

A novel dicationic room temperature ionic liquid, 1,1'-(5,14-dioxo-4,6,13,15-tetraazaoctadecane-1,18-diyl) bis(3-(sec-butyl)-1H-imidazol-3-ium) bis((trifluoromethyl)-sulfonyl) imide has been synthesized and fully characterized. Its thermal and electrochemical analyses along with transport properties have been studied. We propose it as a potential nominal additive to the commonly used conventional organic carbonate electrolyte mixture and study its adaptability in Lithium-ion batteries which are the prime power sources for ultraportable electronic devices.

Computational investigation of binding mechanism of substituted pyrazinones targeting corticotropin releasing factor-1 receptor deliberated for anti-depressant drug design.

In spite of various research investigations towards anti-depressant drug discovery program, no one drug has not yet launched last 20 years. Corticotropin-releasing factor-1 (CRF-1) is one of the most validated targets for the development of antagonists against depression, anxiety and post-traumatic stress disorders. Various research studies suggest that pyrazinone based CRF-1 receptor antagonists were found to be highly potent and efficacious.

Synthesis of Patterned Vertically Aligned Carbon Nanotubes by PECVD Using Different Growth Techniques: A Review.

Immense development has been taken place not only to increase the bulk production, repeatability and yield of carbon nanotubes (CNTs) in last 25 years but preference is also given to acknowledge the basic concepts of nucleation and growth methods. Vertically aligned carbon nanotubes (VAC-NTs) are forest of CNTs accommodated perpendicular on a substrate. Their exceptional chemical and physical properties along with sequential arrangement and dense structure make them suitable in various fields.

Elucidation of photocatalysis, photoluminescence and antibacterial studies of ZnO thin films by spin coating method.

The ZnO thin films have been prepared by spin coating followed by annealing at different temperatures like 300°C, 350°C, 400°C, 450°C, 500°C & 550°C and ZnO nanoparticles have been used for photocatalytic and antibacterial applications. The morphological investigation and phase analysis of synthesized thin films well characterized by X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Photoluminescence (PL), Transmission Electron Microscopy (TEM) and Raman studies. The luminescence peaks detected in the noticeable region between 350nm to 550nm for all synthesized nanosamples are associated to the existence of defects of oxygen sites.

In silico binding mechanism prediction of benzimidazole based corticotropin releasing factor-1 receptor antagonists by quantitative structure activity relationship, molecular docking and pharmacokinetic parameters calculation.

Despite the various research efforts toward the treatment of stress-related disorders, the drug has not yet launched last 20 years. Corticotropin releasing factor-1 receptor antagonists have been point of great interest in stress-related disorders. In the present study, we have selected benzazole scaffold-based compounds as corticotropin releasing factor-1 antagonists and performed 2D and 3D QSAR studies to identify the structural features to elucidating the binding mechanism prediction.

An ultrasensitive label free nanobiosensor platform for the detection of cardiac biomarkers.

We report the fabrication of a label free nano biosensor platform comprising single nanofiber that is derived out of multi-walled carbon nanotubes (MWCNTs) embedded SU-8 photoresist, for the detection of three important human cardiac biomarkers viz., myoglobin (Myo), cardiac Troponin I (cTn I) and Creatine Kinase-MB (CK-MB). These composite nanofibers were synthesized using electrospinning process.

Ultrasensitive, Label Free, Chemiresistive Nanobiosensor Using Multiwalled Carbon Nanotubes Embedded Electrospun SU-8 Nanofibers.

This paper reports the synthesis and fabrication of aligned electrospun nanofibers derived out of multiwalled carbon nanotubes (MWCNTs) embedded SU-8 photoresist, which are targeted towards ultrasensitive biosensor applications. The ultrasensitivity (detection in the range of fg/mL) and the specificity of these biosensors were achieved by complementing the inherent advantages of MWCNTs such as high surface to volume ratio and excellent electrical and transduction properties with the ease of surface functionalization of SU-8. The electrospinning process was optimized to precisely align nanofibers in between two electrodes of a copper microelectrode array.

Polychlorinated Biphenyls in Residential Soils and their Health Risk and Hazard in an Industrial City in India.

Background: Polychlorinated biphenyls (PCBs) have never been produced in India, but were used in industrial applications. PCBs have been detected in environmental samples since 1966, and their sources in soils come from depositions of industrial applications, incinerators and biomass combustions. PCBs adsorb to soil particles and persist for long time due to their properties.

Copper-iron-molybdenum mixed oxides as efficient oxygen evolution electrocatalysts.

Ternary Cu, Fe and Mo mixed oxides having a nominal compositional formula, CuxFe2-x(MoO4)3 (0 ≤ x ≤ 1.5), have been prepared by a co-precipitation method at pH ≈ 2 and characterized by FT-IR, XRD, XPS, TEM and anodic polarization techniques for use as electrocatalysts for the oxygen evolution reaction (OER) in alkaline solutions. The crystallites of oxides with x ≤ 1 have the monoclinic crystal structure.

Graphene-cobaltite-Pd hybrid materials for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells.

Hybrid materials comprising of Pd, MCo2O4 (where M = Mn, Co or Ni) and graphene have been prepared for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells. Structural and electrochemical characterizations were carried out using X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, chronoamperometry and cyclic, CO stripping, and linear sweep voltammetries. The study revealed that all the three hybrid materials are active for both methanol oxidation (MOR) and oxygen reduction (ORR) reactions in 1 M KOH.

Artificial groundwater recharge zones mapping using remote sensing and GIS: a case study in Indian Punjab.

Artificial groundwater recharge plays a vital role in sustainable management of groundwater resources. The present study was carried out to identify the artificial groundwater recharge zones in Bist Doab basin of Indian Punjab using remote sensing and geographical information system (GIS) for augmenting groundwater resources. The study area has been facing severe water scarcity due to intensive agriculture for the past few years.

Probabilistic health risk assessment of polycyclic aromatic hydrocarbons and polychlorinated biphenyls in urban soils from a tropical city of India.

Distribution of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in urban soils, and their risk for humans was evaluated and presented in this article. The average concentration of ∑16PAHs, ∑carcinogenic PAHs, ∑28PCBs and ∑dioxin-like PCBs was 631.6 ± 244.