Statistical analysis of the unique characteristics of secondary structures in proteins.

Protein folding is a complex process influenced by the primary sequence of amino acids. Early studies focused on understanding whether the specificity or the conservation of properties of amino acids was crucial for folding into secondary structures such as α-helices, β-sheets, turns, and coils. However, with the advent of artificial intelligence (AI) and machine learning (ML), the emphasis has shifted towards the precise nature and occurrence of specific amino acids.

Can Microcavitated Slippery Surfaces Outperform Micropillared and Untextured?

Surface features' morphology is crucial in designing lubricant-infused slippery surfaces (LIS). Microcavities were hypothesized to provide lower physical pinning, reduced droplet normal adhesion, and superior lubricant retention as compared to micropillars and untextured surfaces. Micropillars and microcavities ( = 10 ± 3 μm, = 8 ± 1 μm, = 17 ± 3 μm, = 1.

Small molecules for impairing endoplasmic reticulum in cancer.

The endoplasmic reticulum plays an important role in maintaining the protein homeostasis of cells as well as regulating Ca storage. An increased load of unfolded proteins in the endoplasmic reticulum due to alterations in the cell's metabolic pathway leads to the activation of the unfolded protein response, also known as ER stress. ER stress plays a major role in maintaining the growth and survival of various cancer cells, but persistent ER stress can also lead to cell death and hence can be a therapeutic pathway in the treatment of cancer.

Groundwater sustainability in India through nonrice-dominated cropping pattern.

Over-exploitation of groundwater for irrigation caused rapid groundwater depletion in north India, leading to food and water security challenges. However, the crucial role of changing cropping patterns on groundwater savings under the observed and projected warming climate remains unexplored. Here, we show that altering the existing rice-dominated cropping systems in India can be a potential solution for groundwater sustainability under the current and future climate.

Robust Rain-Repellency and Droplet Bouncing Properties of Fresh and Aged Leaves Up to 6 Months.

Robust rain-repellent surfaces are useful in roofs, solar panels, windshields, etc. Herein, excellent rain-repellency and droplet bouncing properties of leaves are presented. They possess surface microbumps ( ∼ 13 μm, ∼ 8 μm, ∼ 3 μm), which in turn comprise nanoplatelets ( ∼ 741 nm, ∼ 59 nm) and Wenzel roughness ( ) of ∼2.

Dopamine-Functionalized, Red Carbon Quantum Dots for Bioimaging, Cancer Therapeutics, and Neuronal Differentiation.

One of the crucial requirements of quantum dots for biological applications is their surface modification for very specific and enhanced biological recognition and uptake. Toward this end, we present the green synthesis of bright, red-emitting carbon quantum dots derived from mango leaf extract (mQDs). These mQDs are conjugated electrostatically with dopamine to form mQDs-dopamine (mQDs:DOPA) bioconjugates.

Advanced computational approaches to understand protein aggregation.

Protein aggregation is a widespread phenomenon implicated in debilitating diseases like Alzheimer's, Parkinson's, and cataracts, presenting complex hurdles for the field of molecular biology. In this review, we explore the evolving realm of computational methods and bioinformatics tools that have revolutionized our comprehension of protein aggregation. Beginning with a discussion of the multifaceted challenges associated with understanding this process and emphasizing the critical need for precise predictive tools, we highlight how computational techniques have become indispensable for understanding protein aggregation.

Dominance of soil moisture over aridity in explaining vegetation greenness across global drylands.

Drylands are one of the most sensitive areas to climate change. Despite being characterized by water scarcity and low precipitation, drylands support a wide range of green biodiversity and nearly 40 % of the global population. However, the climate change impacts on dryland characteristics and vegetation dynamics are debatable as the reasons remain poorly understood.

Glycosylated Porphyrin Derivatives for Sonodynamic Therapy: ROS Generation and Cytotoxicity Studies in Breast Cancer Cells.

Sonodynamic therapy (SDT) is a promising alternative to photodynamic therapy for achieving site-specific cytotoxic therapy. Porphyrin derivative molecules have been reported extensively in photodynamic therapy. We have previously shown that the glycosylation of porphyrin-based sonosensitizers can enhance their cellular uptake.

Drought Atlas of India, 1901-2020.

India has been considerably affected by droughts in the recent past. Despite the considerable impacts of droughts on agriculture and water resources, long-term datasets to examine droughts and their consequences at appropriate spatial and temporal scales have been lacking in India. Datasets that provide drought information are mostly available for a short period and at coarser resolutions, therefore, these do not comprehend the information regarding the major droughts that occurred in the distant past at administrative scales of decision-making.

Molecular Insights into the Inhibitory Role of α-Crystallin against γD-Crystallin Aggregation.

Cataracts, a major cause of global blindness, contribute significantly to the overall prevalence of blindness. The opacification of the lens, resulting in cataract formation, primarily occurs due to the aggregation of crystallin proteins within the eye lens. Despite the high concentration of these crystallins, they remarkably maintain the lens transparency and refractive index.

Hydrological model-based streamflow reconstruction for Indian sub-continental river basins, 1951-2021.

Streamflow is a vital component of the global water cycle. Long-term streamflow observations are required for water resources planning and management, hydroclimatic extremes analysis, and ecological assessment. However, long-term streamflow observations for the Indian-Subcontinental (ISC) river basins are lacking.

Effect of mutations on the folding and stability of D-crystallin protein.

Interprotein interactions between the partially unfolded states of D-crystallin (D-crys) protein are known to cause cataracts. Therefore, understanding the unfolding pathways of native D-crys is extremely crucial to delineate their aggregation mechanism. In this study, we have performed extensive all-atom Molecular Dynamics simulations with explicit solvent to understand the role of the critical residues that drive the stability of the motifs and domains of D-crys in its wild type and mutant forms.

Dog-bone shaped gold nanoparticle-mediated chemo-photothermal therapy impairs the powerhouse to trigger apoptosis in cancer cells.

The mitochondrion has emerged as one of the uncommon targets in cancer therapeutics due to its involvement in cancer generation and progression. Consequently, nanoplatform mediated delivery of anti-cancer drugs into the mitochondria of cancer tissues demonstrated immense potential in cancer treatment. In the last couple of decades, gold nanoparticles have gained incredible attention in biomedical applications due to their easy synthesis, size-shape tenability, optical properties and outstanding photothermal ability.

Hydrophobicity─A Single Parameter for the Accurate Prediction of Disordered Regions in Proteins.

The prediction of disordered regions in proteins is crucial for understanding their functions, dynamics, and interactions. Intrinsically disordered proteins (IDPs) play a key role in many biological processes like cell signaling, recognition, and regulation, but experimentally determining these regions can be challenging due to their high mobility. To address this challenge, we present an algorithm called HydroDisPred (HDP).

Tuning Electrostatic Interactions To Control Orientation of GFP Protein Adsorption on Silica Surface.

The adsorption of green fluorescent protein (GFP) on silica surfaces has been the subject of growing interest due to its potential applications in various fields, including biotechnology and biomedicine. In this study, we used all-atom molecular dynamics simulations to investigate the charge-driven adsorption of wild type GFP and its supercharged variants on silica surfaces. The results showed that the positively charged variant of GFP adsorbed on the negatively charged silica surface with minimal loss in its secondary structure.

Depletion-driven antiferromagnetic, paramagnetic, and ferromagnetic behavior in quasi-two-dimensional buckled colloidal solids.

We investigate quasi-two-dimensional buckled colloidal monolayers on a triangular lattice with tunable depletion interactions. Without depletion attraction, the experimental system provides a colloidal analog of the well-known geometrically frustrated Ising antiferromagnet [Y. Han et al.

Mitochondria Targeted AIE Probes for Cancer Phototherapy.

In recent years, mitochondrion (powerhouse of the cells) gained lots of interest as one of the unorthodox targets for futuristic cancer therapy. As a result, novel small molecules were developed to damage and image mitochondria in cancer models. In this context, aggregation-induced emission probes (AIEgens) received immense attention due to their applications in mitochondria-targeted biosensing, imaging, and biomedical theranostics.

Increased hydropower but with an elevated risk of reservoir operations in India under the warming climate.

Hydropower is a significant contributor to clean global electricity generation; therefore, it plays a crucial role in climate change mitigation. Notwithstanding major hydropower dams in India are in diverse climatic regions and exposed to risks because of the warming climate, potential changes in hydroclimate remain largely unexplored. Using observations and climate projections, we demonstrate the hydroclimatic changes in the upstream catchments and their implications for the hydropower generation of 46 major hydropower dams in India.

Climate warming and summer monsoon breaks drive compound dry and hot extremes in India.

Considering the severe impacts of compound dry and hot extremes, we examine the primary drivers of CDHEs during the summer monsoon in India. Using ERA5 reanalysis, we show that most of the CDHEs in India occur during the droughts caused by the summer monsoon rainfall deficit. Despite a decline in the frequency of summer monsoon droughts in recent decades, increased CDHEs are mainly driven by warming and dry spells during the summer monsoon particularly in the Northeast, central northeast, and west central regions.

Self-Assembly and Micellar Transition in CTAB Solutions Triggered by 1-Octanol.

This study exploits higher-order micellar transition ranging from ellipsoidal to rodlike to wormlike induced by 1-octanol (COH) in an aqueous solution of cetyltrimethylammonium bromide (CTAB), characterizing phase behavior, rheology, and small-angle neutron scattering (SANS). The phase diagram for the ternary system CTAB-COH-water was constructed, which depicted the varied solution behavior. Such performance was further inferred from the rheology study (oscillatory-shear frequency sweep (ω) and viscosity (η)) that displayed an interesting solution behavior of CTAB solutions as a function of COH.

Chimeric nanoparticles for targeting mitochondria in cancer cells.

Mitochondrial dysfunction is implicated in myriad diseases, including cancer. Subsequently, targeting mitochondrial DNA (mt-DNA) in cancer cells has emerged as an unorthodox strategy for anti-cancer therapy. However, approaches targeting only one component of the mitochondrial "central dogma" can be evaded by cancer cells through various mechanisms.

Understanding asymmetry effects at low grafting density on the self-assembly of polyion grafted nanoparticles.

Grafting of spherical nanoparticles (NPs) with polymeric ligands has been an effective way of controlling the dispersion state of NPs either in the matrix or in solution. Despite the fast evolving synthesis techniques, it is still experimentally difficult to precisely control the position of tethers on the surface of NPs. At low grafting density, due to the surface anisotropy, a wide range of assemblies could be achieved depending on the position of the tethers on the NP surface.