Phytochemical potential and GC-MS analysis of propolis from Punjab region of India.

Propolis is a beehive product produced from honeybees by mixing ß-glycosidase enzyme and beeswax with exudate collected from plant resins. The main goal of this study was to investigate the phytochemical potential and GC-MS profiling of the main constituents of propolis. The antioxidant activity was assessed by using 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay, total phenolic content and total flavonoid content were analysed by Folin-Ciocalteu reagent method and aluminium chloride method respectively. Methanolic extract exhibited highest antioxidant activities, ethanolic extract had the highest total phenolic content, and maximum amount of flavonoid was observed in the chloroform extract. GC-MS analysis revealed the presence of flavonoids, fatty acids and phenolic compounds. Results revealed that propolis from Derra Bassi can be used as natural antioxidant, also extracting solvents had a significant impact on the phytochemical activities and with its standardisation can be used for prevention of diseases related with free radicals.

Chiral ground states of ferroelectric liquid crystals.

Ferroelectric nematic liquid crystals are formed by achiral molecules with large dipole moments. Their three-dimensional orientational order is described as unidirectionally polar. We demonstrate that the ground state of a flat slab of a ferroelectric nematic unconstrained by externally imposed alignment directions is chiral, with left- and right-handed twists of polarization. Although the helicoidal deformations and defect walls that separate domains of opposite handedness increase the elastic energy, the twists reduce the electrostatic energy and become weaker when the material is doped with ions. This work shows that the polar orientational order of molecules could trigger chirality in soft matter with no chemically induced chiral centers.

Displacement and stress distribution pattern during complete mandibular arch distalization using buccal shelf bone screws - A three-dimensional finite element study.

BACKGROUND: To evaluate and compare the distribution of stress and displacement of teeth during mandibular arch distalization using buccal shelf screws. MATERIALS AND METHODS: Three three-dimensional finite element models of mandibular arch were constructed with third molars extracted. Models 1, 2, and 3 were constructed on the basis of the lever arm heights of 0 mm, 3 mm, and 6 mm, respectively, between the lateral incisor and canine. A buccal shelf screw was placed at the area in the second molar region with the initial point of insertion being inter-dental between the first and second molars and 2 mm below the mucogingival junction. MBT pre-adjusted brackets (slot size 0.022 × 0.028") were placed over the clinical crown's center with a 0.019 × 0.025" stainless-steel archwire on three models. A retraction force of 300 g was applied with buccal shelf screws and a lever arm bilaterally using nickel-titanium closed coil springs. The displacement of each tooth was calculated on X, Y, and Z axes, and the von Mises stress distribution was visualized using color-coded scales using ANSYS 12.1 software. RESULT: The maximum von Mises stress in the cortical and cancellous bones was observed in model 1. The maximum von Mises stress in the buccal shelf screw and the cortical bone decreased as the height of the lever arm increased. Applying orthodontic forces at the level of 6 mm lever arm height resulted in greater biomechanical bodily movement in distalization of the mandibular molars compared to when the orthodontic forces were applied at the level of 0 mm lever arm height. CONCLUSION: Displacement of the entire arch may be dictated by a direct relationship between the center of resistance of the whole arch and the line of action generated between the buccal shelf screw and force application points at the archwire, which makes the total arch movement highly predictable.

A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction.

Three new isostructural MOFs (ZnTIA, CoTIA and CdTIA) were synthesized by the solvothermal synthesis of the organic linker 5-triazole isophthalic acid (5-TIA) with the transition metals Zn(II), Co(II) and Cd(II) in the presence of the structure directing agent tetramethyl ammonium chloride (TMA). These three MOFs were characterized thoroughly by ScXRD, PXRD, FT-IR, TGA, BET and SEM. They have excellent thermal and water stabilities. Among all these MOFs mentioned, pristine CoTIA exhibited excellent electrocatalytic activity toward the oxygen evolution reaction (OER). It exhibits a Tafel slope of 68.9 mV dec-1 with an overpotential of 337 mV at 10 mA cm-2 current density. The OER activity of the CoTIA MOF is relatively equivalent to that of the state-of-the-art catalyst (RuO2). Furthermore, the mechanical stability of crystalline ZnTIA, CoTIA and CdTIA MOFs was tested under ball mill pressure. The result showed that all the MOFs exhibit low tolerance to mechanical force because their structure was highly distorted or collapsed under such pressure, which is reflected by their poor electrocatalytic OER activity.

Vis-NIR spectroscopy based rapid and non-destructive method to quantitate microplastics: An emerging contaminant in farm soil.

Microplastics (MPs) is the second most important environmental issue and can potentially enter into food chain through farmland contamination and other means. There are no standardized extraction methods for quantification of MPs in soil. The embedded errors and biases generated serious problems regarding the comparability of different studies and leading to erroneous estimation. To address this gap, present study was formulated to develop an efficient method for MPs analysis suitable for a wide range of soil and organic matrices. A method based on Vis-NIR (Visible-Near Infra Red) spectroscopy is developed for four different soil belonging to Alfisol, Inceptisol, Mollisol and Vertisol and two organic matter matrices (FYM and Sludge). The developed method was found as rapid, reproducible, non-destructive and accurate method for estimation of all three-density groups of MPs (Low, Medium and High) with a prediction accuracy ranging from 1.9 g MPs/kg soil (Vertisol) to 3.7 g MPs/kg soil (Alfisol). Two different regression models [Partial Least Square Regression (PLSR) and Principal Component Regression (PCR)] were assessed and PLSR was found to provide better information in terms of prediction accuracy and minimum quantification limit (MQL). However, PCR performed better for organic matter matrices than PLSR. The method avoids any complicated sample preparation steps except drying and sieving thus saving time and acquisition of reflectance spectrum for single sample is possible within 18 s. Owing to have the minimum quantification limit ranging from 1.9-3.7 g/kg soil, the vis-NIR based method is perfectly suitable for estimation of MPs in soil samples collected from plastic pollution hotspots like landfill sites, regular based sludge amended farm soils. Additionally, the method can be adapted by small scale compost industries for assessing MPs load in product like city compost which are applied at agricultural fields and will be helpful in quantifying possible MPs at the sources itself.

Reticular synthesis of two-dimensional ionic covalent organic networks as metal-free bifunctional electrocatalysts for oxygen reduction and evolution reactions.

Bifunctional electrocatalysts for the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) are the heart of metal-air batteries, fuel cells, and other energy storage systems. Here, we report a series of a novel class of redox-active viologen-based ionic covalent organic networks (vCONs) which are directly used as metal-free bifunctional electrocatalysts towards ORR and OER applications. These vCONs (named vGC, vGAC, vMEL and vBPDP) were synthesized by the well-known Zincke reaction. The installation of redox-active viologen moieties among the extended covalent organic architectures played a crucial role for exceptional acid/base stability, as well as bifunctional ORR and OER activities, confirmed by the cyclic voltammetry (CV) curves. Among all of them, vBPDP showed high ORR efficiency with a half-wave potential of 0.72 V against a reversible hydrogen electrode (RHE) in 1 M KOH electrolyte. In contrast, vMEL demonstrated high OER activity with an overpotential of 320 mV at a current density of 10 mAcm-2 and a Tafel slope of 109.4 mV dec-1 in 1 M KOH electrolyte solution. This work is exceptional and unique in terms of directly used pristine ionic covalent organic networks that are used as bifunctional (ORR and OER) electrocatalysts without adding any metals or conductive materials.

The Osteoblast Transcriptome in Developing Zebrafish Reveals Key Roles for Extracellular Matrix Proteins Col10a1a and Fbln1 in Skeletal Development and Homeostasis.

Zebrafish are now widely used to study skeletal development and bone-related diseases. To that end, understanding osteoblast differentiation and function, the expression of essential transcription factors, signaling molecules, and extracellular matrix proteins is crucial. We isolated Sp7-expressing osteoblasts from 4-day-old larvae using a fluorescent reporter. We identified two distinct subpopulations and characterized their specific transcriptome as well as their structural, regulatory, and signaling profile. Based on their differential expression in these subpopulations, we generated mutants for the extracellular matrix protein genes col10a1a and fbln1 to study their functions. The col10a1a-/- mutant larvae display reduced chondrocranium size and decreased bone mineralization, while in adults a reduced vertebral thickness and tissue mineral density, and fusion of the caudal fin vertebrae were observed. In contrast, fbln1-/- mutants showed an increased mineralization of cranial elements and a reduced ceratohyal angle in larvae, while in adults a significantly increased vertebral centra thickness, length, volume, surface area, and tissue mineral density was observed. In addition, absence of the opercle specifically on the right side was observed. Transcriptomic analysis reveals up-regulation of genes involved in collagen biosynthesis and down-regulation of Fgf8 signaling in fbln1-/- mutants. Taken together, our results highlight the importance of bone extracellular matrix protein genes col10a1a and fbln1 in skeletal development and homeostasis.

New Emerging Aspect of Herbal Extracts for the Treatment of Osteoporosis: Overview.

As the global population ages, osteoporosis is becoming a more common silent disease. Osteoporosis is characterized by decreased bone quality and strength, which increases the risk of fragility fractures in the elderly. According to estimates, 50% of women eventually suffer from an osteoporotic fracture. Due to increasing disability, more frequent hospital hospitalizations, and most critically, fragility fractures have been linked to a reduced quality of life. Osteoporotic fractures have been linked to an increased mortality risk; and must be considered in awareness as a serious health concern. There are anti-osteoporotic medications available that improve bone quality. Considering the availability of various treatment options, still there are a lot of underserved needs in the treatment of fractures and osteoporosis. For example, the application of natural products and herbal resources for fracture healing, because of the androgen-like and antioxidant characteristics of the plants, they can play a crucial for accelerating the repair of bone fractures. In this article, we'll discuss the herbal remedies that are essential for treating osteoporosis (bone disease).

(2-Cyclohexyl-1-methylpropyl) cyclohexane isolated from garlic extract exhibits antidepressant-like activity: extraction, docking, drug-like properties, molecular dynamics simulations and MM/GBSA studies.

Depressive disorders are among most common psychiatric diseases and second most common form of psychiatric illness globally. Commonly available chemical drugs used for treatment of nervous system disorders exert undesirable effects. Therefore, there is a growing need towards exploring novel antidepressants of herbal origin. Earlier, the antidepressant effect of methanolic extract of garlic has been shown. In this study, the ethanolic extract of garlic was prepared and chemically analysed using Gas Chromatography - Mass Spectrometry (GC-MS) screening. A total of 35 compounds were found to be present, which might act as antidepressant. Using computational analyses, these compounds were screened as potential inhibitors (selective serotonin reuptake inhibitor (SSRI)) against serotonin transporter (SERT)/leucine receptor (LEUT). In silico docking studies and other physicochemical, bioactivity and ADMET studies resulted in the selection of compound 1 ((2-Cyclohexyl-1-methylpropyl) cyclohexane) as potential SSRI (binding energy -8.1 kcal/mol) compared to known reference SSRI fluoxetine (binding energy -8.0 kcal/mol). Analysis of conformational stability, residue flexibility, compactness, binding interactions, solvent accessible surface area (SASA), dynamic correlation, and binding free energy predicted from molecular mechanics (MD) with generalised Born and surface area solvation (MM/GBSA) studies revealed formation of a more stable SSRI like complex with compound 1 having strong inhibitory interaction compared to known SSRI fluoxetine/reference complex. Thus, compound 1 may act as an active SSRI leading to discovery of potential antidepressant drug.Communicated by Ramaswamy H. Sarma.

Environmentally benign approach to formulate nanoclay/starch hydrogel for controlled release of zinc and its application in seed coating of Oryza Sativa plant.

Improper use of conventional fertilizers has been linked to adverse effects on soil nutrient levels. To mitigate the negative impact of surface feeding fertilizers and reduce environmental pollution, a new type of seed coating material has been developed to provide nutrients in close proximity to the growing seed. In this study, a biodegradable seed coating film encapsulating micronutrients was fabricated by incorporating montmorillonite into a starch matrix using the melt processing technique. The dispersion of montmorillonite within the starch matrix was examined using X-ray diffraction (XRD), infrared spectroscopy (IR), and thermal gravimetric analysis (TGA). The results revealed polar interactions among starch, silicate layers, and the hydrogel. The XRD analysis demonstrated a shift in the diffraction peak (001) of the Zinc/montmorillonite/starch/glycerol nanocomposite film from 6.2° to 4.9°, indicating the successful intercalation of Zinc, starch, and glycerol. Furthermore, the inclusion of nanoclay improved the thermal stability of the resulting polymer composite and enhanced its ion exchange capacity, water retention, and micronutrient retention. The time-dependent release of zinc micronutrient from the montmorillonite/starch/glycerol composite film was investigated in Zn-deficient soil extract over a 20-day period. The composite film demonstrated extended release behavior of Zn2+. Subsequently, rice seeds were coated with the zinc-containing composite film using a dip-coating method, and their performance in Zn-deficient soil was evaluated. The results indicated that zinc-coated seeds exhibited improved germination percentage, vegetative growth, and yield compared to uncoated seeds.

Standardized agronomic practices for mechanical harvesting of the single-harvest garden pea in India.

The field investigations were conducted at Vegetable Research Farm, Department of vegetable Science, Punjab Agricultural University, Ludhiana with the objective to standarize the agronomic practices for mechical harvesting of garden pea. Therefore, effect of different agronomic traits including time of sowing, spacing and sowing method on yield and its attributing traits were studied on single-harvest garden pea. The experiment was laid out in split-plot design with 30 treatments comprising five dates of sowing in main plots and 2 different planting methods (flat and bed) sown at three different spacing in subplots and replicated three times. The bed size was standardized according to front-loading width of the pea combine. Significant interactions were observed between the date of sowing and spacing for a number of pods per plant, green seeds per pod, green pod yield per plant, green pod yield per plot; date of sowing and sowing method for pod length; spacing and sowing method for plant height. However, for all the traits, there was non-significant 3-way interaction. The late sown (20th December) crop resulted in the least number of pods per plant, green seeds per pod, green pod yield per plant and green pod yield per plot which was due to high temperature and low relative humidity conditions at pod development and filling stage. It is concluded that the garden pea cultivar Punjab-89 sown on 5th November at the spacing of 20 × 7.5 cm on beds (bed width of 1.0 m) resulted in significantly highest green pod yield of 12.75 kg/9 m2 in the single harvest. Therefore, the 3 beds of 1 m width can be harvested together with pea combine (because combine has working front width of 3.1 m) results into maximum yield when pea crops is sown on 5th November @ 20 × 7.5 cm spacing.

Identification, characterization, and comprehensive expression profiling of floral master regulators in pigeon pea (Cajanus cajan [L.] Millspaugh).

Pigeon pea is an important protein-rich pulse crop. Identification of flowering master regulators in pigeon pea is highly imperative as indeterminacy and late flowering are impediments towards yield improvement. A genome-wide analysis was performed to explore flowering orthologous groups in pigeon pea. Among the 412 floral orthologs identified in pigeon pea, 148 genes belong to the meristem identity, photoperiod-responsive, and circadian clock-associated ortholog groups. Our comparative genomics study revealed purifying selection pressures (ka/ks) on floral orthologs, and duplication patterns and evolution through synteny with other model species. Phylogenetic analysis of floral genes substantiated a connection between pigeon pea plant architecture and flowering time as all the PEBP domain-containing genes belong to meristem identity floral networks of pigeon pea. Expression profiling of eleven major orthologs in contrasting determinate and indeterminate genotypes indicated that these orthologs might be involved in flowering regulation. Expression of floral inducer, FT, and floral repressor, TFL1, was non-comparable in indeterminate genotypes across all the developmental stages of pigeon pea. However, dynamic FT/TFL1 expression ratio detected in all tissues of both the genotypes suggested their role in floral transition. One TFL1 ortholog having high sequence conserveness across pigeon pea genotypes showed differential expression indicating genotype-dependent regulation of this ortholog. Presence of conserved 6mA-methylation patterns in light-responsive elements and in other cis-regulatory elements of FT and TFL1 across different plant genotypes indicated possible involvement of epigenetic regulation in flowering.

A multi-target QSRR approach to model retention times of small molecules in RPLC.

Quantitative structure-retention relationship models (QSRR) have been utilized as an alternative to costly and time-consuming separation analyses and associated experiments for predicting retention time. However, achieving 100 % accuracy in retention prediction is unrealistic despite the existence of various tools and approaches. The limitations of vast data availability and time complexity hinder the use of most algorithms for retention prediction. Therefore, in this study, we examined and compared two approaches for modelling retention time using a dataset of small molecules with retention times obtained at multiple conditions, referred to as multi-targets (five pH levels: 2.7, 3.5, 5, 6.5, and 8 at gradient times of 20 min of mobile phase). The first approach involved developing separate models for predicting retention time at each condition (single-target approach), while the second approach aimed to learn a single model for predicting retention across all conditions simultaneously (multi-target approach). Our findings highlight the advantages of the multi-target approach over the single-target modelling approach. The multi-target models are more efficient in terms of size and learning speed compared to the single-target models. These retention prediction models offer two-fold benefits. Firstly, they enhance knowledge and understanding of retention times, identifying molecular descriptors that contribute to changes in retention behaviour under different pH conditions. Secondly, these approaches can be extended to address other multi-target property prediction problems, such as multi-quantitative structure Property(X) relationship studies (mt-QS(X)R).

Mechanical Alloying in Zeolitic Imidazolate Framework for Enhanced Photocatalytic Dye Degradation.

A ball milling approach has been performed for isostructural ZnZIF-8 and CoZIF-8 in a 1:1 molar ratio to produce the amorphous (a) solid solution state (aZn0.5Co0.5ZIF-8). It further transformed to a crystalline (c) solid solution state (cZn0.5Co0.5ZIF-8) by exposing 95% relative humidity (RH) at 25 °C for 72 h. Unique heterometal solid solution structure and high catalytic active sites of aZn0.5Co0.5ZIF-8 showed excellent photocatalytic performance for the degradation of methylene blue dye under visible light source. The catalytic efficiency of aZn0.5Co0.5ZIF-8 (97.9%) is much higher than the pristine (p) as well as the amorphous state (a) of ZnZIF-8/CoZIF-8 and cZn0.5Co0.5ZIF-8.

Evaluation of Zn: WO3 Thin Films as a Sensing Layer for Detection of NH3 Gas.

Pristine WO3 and Zn-doped WO3 were synthesized using the spray pyrolysis technique to detect ammonia gas. The prominent orientation of the crystallites along the (200) plane was evident from X-ray diffraction (XRD) studies. Scanning Electron Microscope (SEM) morphology indicated well-defined grains upon Zn doping with a smaller grain size of 62 nm for Zn-doped WO3 (Zn: WO3) film. The photoluminescence (PL) emission at different wavelengths was assigned to defects such as oxygen vacancies, interstitial oxygens, localized defects, etc. X-ray Photoelectron spectroscopy (XPS) studies confirmed the formation of oxygen vacancies in the deposited films. The ammonia (NH3) sensing analysis of the deposited films was carried out at an optimum working temperature of 250 °C. The sensor performance of Zn: WO3 was enhanced compared to pristine WO3 at 1 ppm NH3 concentration, elucidating the possibility of the films in sensing applications.

Design, synthesis and antimicrobial activity of novel quinoline derivatives: an in silico and in vitro study.

A series of new quinoline derivatives has been designed, synthesized and evaluated as antibacterial and antifungal agents functioning as peptide deformylase enzyme (PDF) inhibitors and fungal cell wall disruptors on the basis of computational and experimental methods. The molecular docking and ADMET assessment aided in the synthesis of quinoline derivatives starting from 6-amino-4-methyl-1H-quinoline-2-one substituted with different types of sulfonyl/benzoyl/propargyl moieties. These newly synthesized compounds were evaluated for their in vitro antibacterial and antifungal activity. Antibacterial screening of all compounds showed excellent MIC value (MIC, 50 - 3.12 µg/mL) against bacterial strains, viz. Bacillus cerus, Staphylococcus, Pseudomonas and Escherichia coli. Compounds 2 and 6 showed better activity. Fractional inhibitory concentration (FIC) values of compounds were lowered by 1/2 to 1/128 of the original MIC values when a combinatorial screening with reference drugs was performed. Further, antifungal screening against fungal strains, viz. A. flavus, A. niger, F. oxysporum and C. albicans also showed that all compounds were potentially active and compound 6 being the most potent. Further, the cytotoxicity experiments revealed that compound 6 was the least toxic molecule. The molecular dynamics (MD) simulation investigations elucidated the conformational stability of compound 6-PDF complex with flexible binding pocket residues. The highest number of stable hydrogen bonds with the PDF residues during the entire simulation time illustrated strong binding affinity of compound 6 with PDF.Communicated by Ramaswamy H. Sarma.

Fabrication of Colored Polymeric Membrane Using Clay-Based Nano Pigments of Safranin O (SO) Dye.

In the present work, a novel methodology was developed for the fabrication of clay-based nano pigments with enhanced thermal stability and used further as a colorant to prepare polymeric membranes. Initially, the batch extraction studies were performed to analyze the maximum adsorption of Safranin O (SO) dye onto pristine montmorillonite (Mt) and organo montmorillonite (OMt) by varying different parameters like pH, contact time, and concentration. It was confirmed from batch extraction studies that the adsorption efficacy of pristine Mt for SO was found to be more than OMt due to their negatively charged surface. Clay-based nano pigments were fabricated by considering the optimized condition where the maximum uptake of SO was observed and further characterized by XRD, FTIR, TGA, and SEM techniques. XRD studies confirmed the intercalation of SO dye while FTIR spectra revealed surface interaction of the dye with Mt/OMt. TGA studies showed that the clay-based nano pigments had more thermal stability than pure SO. Nano pigments were used as colorants to prepare thin, transparent, and homogeneously dispersed polymeric membranes through the solvent casting method. XRD studies of the polymeric membrane confirmed that the intercalation of poly methylmethacrylate (PMMA) into the interlayer of clay increases interlayer spacing, which was further confirmed by the TEM analysis. The mechanical properties of the PMMA polymeric membrane were also enhanced after the dispersion of clay-based nano pigments.

Synthesis of Nano Pigments Using Clay Minerals and Organic Dyes and Their Application as Colorants in Polymer Matrix.

A new generation of clay-based nano pigments has been introduced, providing the advantage of both inorganic pigments and organic dyes. These nano pigments have been synthesized through a stepwise procedure where, initially, an organic dye is adsorbed onto the surface of the adsorbent, and then dye adsorbed adsorbent is used as pigment for further applications. The objective of the current paper was to examine the interaction of non-biodegradable toxic dyes, Crystal Violet (CV) and Indigo Carmine (IC), with clay minerals (montmorillonite (Mt), vermiculite (Vt), and clay bentonite (Bent)) and their organically modified forms (OMt, OBent, and OVt) and to develop a novel methodology for the synthesis of the value-added products and clay-based nano pigments without creating second generation waste materials. In our observation, the uptake of CV was more intense onto pristine Mt, Bent, and Vt, and the uptake of IC was more onto OMt, OBent, and OVt. CV was found to be in the interlayer region of Mt and Bent, as supported by XRD data. Zeta potential values confirmed the presence of CV on their surface. In contrast, in the case of Vt and organically modified forms, the dye was found on the surface, confirmed by XRD and zeta potential values. In the case of indigo carmine, the dye was found only on the surface of pristine Mt, Bent, Vt, and organo Mt, Bent, Vt. During the interaction of CV and IC with clay and organoclays, intense violet and blue-colored solid residues were obtained (also known as clay-based nano pigments). The nano pigments were used as colorants in a poly (methyl-methacrylate) (PMMA) polymer matrix to form transparent polymer films.

Quantitative Structure Retention-Relationship Modeling: Towards an Innovative General-Purpose Strategy.

Reversed-Phase Liquid Chromatography (RPLC) is a common liquid chromatographic mode used for the control of pharmaceutical compounds during their drug life cycle. Nevertheless, determining the optimal chromatographic conditions that enable this separation is time consuming and requires a lot of lab work. Quantitative Structure Retention Relationship models (QSRR) are helpful for doing this job with minimal time and cost expenditures by predicting retention times of known compounds without performing experiments. In the current work, several QSRR models were built and compared for their adequacy in predicting the retention times. The regression models were based on a combination of linear and non-linear algorithms such as Multiple Linear Regression, Support Vector Regression, Least Absolute Shrinkage and Selection Operator, Random Forest, and Gradient Boosted Regression. Models were built for five pH conditions, i.e., at pH 2.7, 3.5, 6.5, and 8.0. In the end, the model predictions were combined using stacking and the performances of all models were compared. The k-nearest neighbor-based application domain filter was established to assess the reliability of the prediction for further compound prioritization. Altogether, this study can be insightful for analytical chemists working with RPLC to begin with the computational prediction modeling such as QSRR to predict the separation of small molecules.

Ferroelectric nematic liquids with conics.

Spontaneous electric polarization of solid ferroelectrics follows aligning directions of crystallographic axes. Domains of differently oriented polarization are separated by domain walls (DWs), which are predominantly flat and run along directions dictated by the bulk translational order and the sample surfaces. Here we explore DWs in a ferroelectric nematic (NF) liquid crystal, which is a fluid with polar long-range orientational order but no crystallographic axes nor facets. We demonstrate that DWs in the absence of bulk and surface aligning axes are shaped as conic sections. The conics bisect the angle between two neighboring polarization fields to avoid electric charges. The remarkable bisecting properties of conic sections, known for millennia, play a central role as intrinsic features of liquid ferroelectrics. The findings could be helpful in designing patterns of electric polarization and space charge.