Structure and Mutations of SARS-CoV-2 Spike Protein: A Focused Overview.

The spike protein (S-protein) of SARS-CoV-2, the protein that enables the virus to infect human cells, is the basis for many vaccines and a hotspot of concerning virus evolution. Here, we discuss the outstanding progress in structural characterization of the S-protein and how these structures facilitate analysis of virus function and evolution. We emphasize the differences in reported structures and that analysis of structure-function relationships is sensitive to the structure used.

Folate-Functionalized DNA Origami for Targeted Delivery of Doxorubicin to Triple-Negative Breast Cancer.

DNA origami has emerged as a versatile platform for diverse applications, namely, photonics, electronics, (bio) sensing, smart actuator, and drug delivery. In the last decade, DNA origami has been extensively pursued for efficient anticancer therapy. However, challenges remain to develop strategies that improve the targeting efficiency and drug delivery capability of the DNA origami nanostructures.

l-Histidine-Derived Smart Antifouling Biohybrid with Multistimuli Responsivity.

A novel dual pH/thermoresponsive amphiphilic poly(histidine methacrylamide)--hydroxyl-terminated polybutadiene--poly(histidine methacrylamide) (PHisMAM--PB--PHisMAM) triblock copolymer biohybrid, composed of hydrophobic PB and ampholytic PHisMAM segments, is developed via direct switching from living anionic polymerization to recyclable nanoparticle catalyst-mediated reversible-deactivation radical polymerization (RDRP). The transformation involved in situ postpolymerization modification of living polybutadiene-based carbanionic species, end-capped with ethylene oxide, into dihydroxyl-terminated polybutadiene and a subsequent reaction with 2-bromo-2-methylpropionyl bromide resulting in a telechelic ATRP macroinitiator (Br-PB-Br). Br-PB-Br was used to mediate RDRP of an l-histidine-derived monomer, HisMAM, yielding a series of PHisMAM--PB--PHisMAM triblock copolymers.

Family violence during COVID-19 and its impact on mental health of children: A systematic review.

The COVID-19 pandemic posed unanticipated challenges that could impact how the family system operates across the world. Restrictions imposed to control the rapid spread of the virus substantially increased violence in families. The current study aims to review violence in the family and its impact on the mental health of children during the pandemic.

Ruthenium Catalyzed Intramolecular C-X (X=C, N, O, S) Bond Formation via C-H Functionalization: An Overview.

Ruthenium catalyzed C-H activation is well known for its high tolerance towards the functional group and broad applicability in organic synthesis and molecular sciences, with significant applications in pharmaceutical industries, material sciences, and polymer industry. In the last few decades, enormous progress has been observed with ruthenium-catalyzed C-H activation chemistry. Notably, the vast majority of the C-H functionalization known in the literature are intermolecular, although the intramolecular variant provides fascinating new structural facet starting from the simple molecular scaffolds.

Anisotropic and Self-Healing Copolymer with Multiresponsive Capability via Recyclable Alloy-Mediated RDRP.

A novel triple stimuli sensitive block copolymer is prepared by magnetically separable and reusable (up to multiple cycles) Ni-Co alloy nanoparticles mediated reversible deactivation radical polymerization (RDRP) at 25 °C, that responds to changes in temperature, pH, and light. Design of this block copolymer constitutes a temperature-sensitive N-isopropylacrylamide (NIPAM), an acid-sensitive lysine methacrylamide (LysMAM), and a light responsive umbelliferone (UMB) end group. The stimuli response, in response to one stimulus as well as combinations of stimuli, has been evaluated.

Ultrafast generation and decay of a surface metal.

Band bending at semiconductor surfaces induced by chemical doping or electric fields can create metallic surfaces with properties not found in the bulk, such as high electron mobility, magnetism or superconductivity. Optical generation of such metallic surfaces on ultrafast timescales would be appealing for high-speed electronics. Here, we demonstrate the ultrafast generation of a metal at the (10-10) surface of ZnO upon photoexcitation.

Structurally symmetric near-infrared fluorophore IRDye78-protein complex enables multimodal cancer imaging.

Most contemporary cancer therapeutic paradigms involve initial imaging as a treatment roadmap, followed by the active engagement of surgical operations. Current approved intraoperative contrast agents exemplified by indocyanine green (ICG) have a few drawbacks including the inability of pre-surgical localization. Alternative near-infrared (NIR) dyes including IRDye800cw are being explored in advanced clinical trials but often encounter low chemical yields and complex purifications owing to the asymmetric synthesis.

DNA Nanostructures and DNA-Functionalized Nanoparticles for Cancer Theranostics.

In the last two decades, DNA has attracted significant attention toward the development of materials at the nanoscale for emerging applications due to the unparalleled versatility and programmability of DNA building blocks. DNA-based artificial nanomaterials can be broadly classified into two categories: DNA nanostructures (DNA-NSs) and DNA-functionalized nanoparticles (DNA-NPs). More importantly, their use in nanotheranostics, a field that combines diagnostics with therapy via drug or gene delivery in an all-in-one platform, has been applied extensively in recent years to provide personalized cancer treatments.

Computational prediction and molecular mechanism of γ-secretase modulators.

Selective control over Aβ production via γ-secretase modulators (GSM) is a promising strategy for treating Alzheimer's disease, yet the specific binding sites and mechanism of action of GSMs remain unknown. Using the recent cryo-electron microscopy structures of substrate-bound γ-secretase we used two distinct methods to identify four potential binding sites for pyridopyrazine-1,6-dione GSMs. We demonstrate binding to site 4 formed between PS1-TM2, PS1-TM5 and the APP-C83-TM, with experimental activity data correlating significantly (95% confidence) with our computed binding-affinities for this site.

Effect of cooling strategies on overall performance of a hybrid personal cooling system incorporated with phase change materials (PCMs) and electric fans.

The effect of four cooling strategies on cooling performance of a hybrid personal cooling system (HPCS) incorporated with phase change materials (PCMs) and electric fans in a hot environment (i.e., T = 36 ± 0.

A positive perspective during COVID-19 related to groundwater crisis.

The months from March to June refer as water crisis months in many places of India, because in these months of summer generally, Indian people face shortage of water. In the summer season, groundwater level decreases due to high temperature and increased evaporation of water in most of the places. This present discussion is focused on one positive aspect during the COVID-19 pandemic, which is related to rainfall during this summer in India.

Information flow and COVID-19 recovery.

This study examines whether the flow of information pertaining to COVID-19 helps to contain the pandemic. We capture the information flow of the pandemic using the Google Search Volume Index for the keyword in 33 states and union territories in India. We find that the information flow is inversely related to positive cases reported in these regions.

A Numerical Analysis of the Cooling Performance of a Hybrid Personal Cooling System (HPCS): Effects of Ambient Temperature and Relative Humidity.

Hybrid personal cooling systems (HPCS) incorporated with ventilation fans and phase change materials (PCMs) have shown its superior capability for mitigating workers' heat strain while performing heavy labor work in hot environments. In a previous study, the effects of thermal resistance of insulation pads, and latent heat and melting temperature of PCMs on the HPCS's thermal performance have been investigated. In addition to the aforementioned factors, environmental conditions, i.

Field driven evaporation kinetics of a sessile ferrofluid droplet on a soft substrate.

We experimentally investigate the evaporation kinetics of a sessile ferrofluid droplet placed on a soft substrate in the presence of a time-dependent magnetic field. We use both bright field visualization techniques and μ-PIV analysis to gain qualitative as well as quantitative insights into the internal hydrodynamics of the droplet. The results show that the droplet evaporation rate is augmented significantly in the presence of a time-dependent magnetic field, attributed primarily to the enhanced internal flow advection.

A generalized few-state model for the first hyperpolarizability.

The properties of molecules depend on their chemical structure, and thus, structure-property relations help design molecules with desired properties. Few-state models are often used to interpret experimental observations of non-linear optical properties. Not only the magnitude but also the relative orientation of the transition dipole moment vectors is needed for few-state models of the non-linear optical properties.

Distinguishing strain, charge and molecular orbital induced effects on the electronic structure: graphene/ammonia system.

Molecular adsorption at the surface of a two-dimensional material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first principles density functional theory is employed on a graphene/ammonia system. We identify the effects on the band structure due to strain, charge transfer and presence of molecular orbitals (MOs) of NHfor six adsorption configurations.

Interface-mediated spontaneous symmetry breaking and mutual communication between drops containing chemically active particles.

Symmetry breaking and the emergence of self-organized patterns is the hallmark of complexity. Here, we demonstrate that a sessile drop, containing titania powder particles with negligible self-propulsion, exhibits a transition to collective motion leading to self-organized flow patterns. This phenomenology emerges through a novel mechanism involving the interplay between the chemical activity of the photocatalytic particles, which induces Marangoni stresses at the liquid-liquid interface, and the geometrical confinement provided by the drop.

Effects of clothing size and air ventilation rate on cooling performance of air ventilation clothing in a warm condition.

Effects of clothing size and air ventilation rate on the cooling performance of three air ventilation jackets (size small, medium and large) were investigated. Two ventilation rates were chosen: low ventilation (12 L/s) and high ventilation (20 L/s). A significant difference in the dry heat loss at the upper body excluding the head and hands (UBody) was noted among the three sizes (< 0.

The Concept of Making On-Chip Thermal Cycler for RT-PCR Using Conjugate Heat Transfer in Diverging Microchannel.

Covid-19 is pandemic to which the world is fighting. Various precautionary measures are being imposed all over the world which is affecting the routine life of an individual and also the economy worldwide. Although, a definite vaccine is still not known to medical science but they are able to distinguish Covid-19 from the other types of flu.

Tuning of hyperpolarizability, and one- and two-photon absorption of donor-acceptor and donor-acceptor-acceptor-type intramolecular charge transfer-based sensors.

The present work aims to study the effect of solvent as well as arrangement of donor-acceptor groups on linear and non-linear optical (NLO) response properties of two experimentally studied intramolecular charge-transfer (ICT)-based fluorescent sensors. One of them (molecule 1) is a donor-acceptor (D-A) system with hemicyanine and dimethylanilino as electron withdrawing and donating groups, respectively, while the other one (molecule 3) is molecule 1 fused with a boron-dipyrromethene (BODIPY) moiety. BODIPY acts as the electron acceptor group of molecule 2 that as well consists of dimethylanilino as the electron donor.

Negative photoresponse in ZnO-PEDOT:PSS nanocomposites and photogating effects.

We report negative photoresponse or increase of resistance in nanocomposites of n-type ZnO nanoparticles dispersed in a p-type polymer (PEDOT:PSS) under UV and visible light excitation, contrary to that of planar heterojunctions of the constituents. The underlying mechanism of charge transport, specifically negative photoresponse, is explored using spectroscopic and opto-electrical characterisation. Systemic variability in conductance, photoresponse sensitivity and rate with fractional nanoparticle loading in the nanocomposite is demonstrated.

DNA-enabled rational design of fluorescence-Raman bimodal nanoprobes for cancer imaging and therapy.

Recently, surface-enhanced Raman scattering nanoprobes have shown tremendous potential in oncological imaging owing to the high sensitivity and specificity of their fingerprint-like spectra. As current Raman scanners rely on a slow, point-by-point spectrum acquisition, there is an unmet need for faster imaging to cover a clinically relevant area in real-time. Herein, we report the rational design and optimization of fluorescence-Raman bimodal nanoparticles (FRNPs) that synergistically combine the specificity of Raman spectroscopy with the versatility and speed of fluorescence imaging.