Probing Basal and Prismatic Planes of Graphitic Materials for Metal Single Atom and Subnanometer Cluster Stabilization.

Supported metal single atom catalysis is a dynamic research area in catalysis science combining the advantages of homogeneous and heterogeneous catalysis. Understanding the interactions between metal single atoms and the support constitutes a challenge facing the development of such catalysts, since these interactions are essential in optimizing the catalytic performance. For conventional carbon supports, two types of surfaces can contribute to single atom stabilization: the basal planes and the prismatic surface; both of which can be decorated by defects and surface oxygen groups. To date, most studies on carbon-supported single atom catalysts focused on nitrogen-doped carbons, which, unlike classic carbon materials, have a fairly well-defined chemical environment. Herein we report the synthesis, characterization and modeling of rhodium single atom catalysts supported on carbon materials presenting distinct concentrations of surface oxygen groups and basal/prismatic surface area. The influence of these parameters on the speciation of the Rh species, their coordination and ultimately on their catalytic performance in hydrogenation and hydroformylation reactions is analyzed. The results obtained show that catalysis itself is an interesting tool for the fine characterization of these materials, for which the detection of small quantities of metal clusters remains a challenge, even when combining several cutting-edge analytical methods.

Copper(II) nanodots stabilized on Cassia fistula galactomannan: preparation and catalytic application towards fast solvent-free Biginelli reactions.

New Cu(II) nanodots have been developed using biopolymeric polysaccharide galactomannan. The nanocatalyst Cu(II)NDs@CFG has been developed through a one-step clean and sustainable reaction of Cassia fistula galactomannan and CuSO4·5H2O in an aqueous medium. The catalyst Cu(II)NDs@CFG is well characterized by FT-IR, FE-SEM, EDS, ICP-MS, HR-TEM, XPS, XRD, TGA and BET analysis. This is the first example of preparing copper nanodots by using polysaccharide galactomannan as a supporting template to form copper nanodots in water. Moreover, the copper nanodots act as a potential nanocatalyst for multicomponent Biginelli reactions. A simple, one pot, efficient and environmentally benign synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones has been achieved with wide variety of aldehydes, ß-dicarbonyl compounds and urea or thiourea indicating the good tolerance of the catalyst towards various functionalities. The presented work has several merits in terms of economy which include easy operation, complete avoidance of toxic organic solvents and expensive catalysts, simple work-up, less reaction time, and excellent yields.

Hole and Electron Doping Outcomes in Bi2YO4Cl.

Recognizing the deficiency in the hole and electron doping outcomes in layered bismuth-based oxyhalides intergrowths, the current study was addressed to the doping of Ca2+ and Zr4+ for Y3+ in Bi2YO4Cl. The samples were rapidly synthesized by a sol-gel auto combustion method and characterized extensively. Up to 30 mol % Y could be substituted with Ca in tetragonal symmetry and without the appearance of any additional phase. The unit cell parameters varied nonlinearly with the elongation of the Y-O bond. The Raman spectra supported the local site distortion. The calcium-substituted samples displayed selected area electron diffraction characteristics similar to those of Bi2YO4Cl. A blueshift of the absorption edge was noticed with increasing calcium content yielding optical band gap values in the 2.40-2.57 eV range. The creation of 10% Bi5+ in Bi2Y0.70Ca0.30O4Cl was established with the help of XPS measurements and redox titrations. The higher reactivity of Bi5+ in an aqueous solution has been demonstrated for the oxidation of As(III) to As(V). Electron doping through Zr4+ incorporation was possible up to 30 mol % in Bi2YO4Cl. The Y-O bonds are contracted, and the Bi-O bonds are elongated with increasing Zr4+ content. Zr4+'s incorporation induced a local distortion. The color of the sample changed from bright yellow to deep yellow with Zr inclusion, resulting in a progressive decrease in optical band gap values. The introduction of electrons caused the reduction of 13.6% of Bi(III) to Bi(0). These results have established the vulnerability of Bi2O2 chains to charge carriers in Bi2YO4Cl. Density functional theory (DFT) calculations were implemented to understand the electronic and optical properties of the pristine and doped compounds. From the band structure calculations, the chosen compounds were found to be indirect band gap semiconductors. The results of the DFT calculations were in good agreement with the experiment; however, for the doped cases, virtual crystal approximation has been used considering uniform doping at the Y-site.

Microalgal Carotenoids: Therapeutic Application and Latest Approaches to Enhance the Production.

Microalgae are microscopic photosynthetic organisms frequently found in fresh and marine water ecosystems. Various microalgal species have been considered a reservoir of diverse health-value products, including vitamins, proteins, lipids, and polysaccharides, and are broadly utilized as food and for the treatment of human ailments such as cancer, cardiovascular diseases, allergies, and immunodeficiency. Microalgae-derived carotenoids are the type of accessory pigment that possess light-absorbing potential and play a significant role in metabolic functions. To date, nearly a thousand carotenoids have been reported, but a very less number of microalgae have been used for the commercial production of carotenoids. This review article briefly discussed the carotenoids of microalgal origin and their therapeutic application. In addition, we have briefly compiled the optimization of culture parameters used to enhance microalgal carotenoid production. In addition, the latest biotechnological approaches used to improve the yields of carotenoid has also been discussed.

Oxidative Products of Curcumin Rather Than Curcumin Bind to Helicobacter Pylori Virulence Factor VacA and Are Required to Inhibit Its Vacuolation Activity.

Curcumin is a hydrophobic polyphenol derived from turmeric with potent anti-oxidant, anti-microbial, anti-inflammatory and anti-carcinogenic effects. Curcumin is degraded into various derivatives under in vitro and in vivo conditions, and it appears that its degradation may be responsible for the pharmacological effects of curcumin. The primary risk factor for the cause of gastric cancer is Helicobacter pylori (H. pylori). A virulence factor vacuolating cytotoxic A (VacA) is secreted by H. pylori as a 88 kDa monomer (p88), which can be fragmented into a 33 kDa N-terminal domain (p33) and a 55 kDa C-terminal domain (p55). Recently it has been reported that curcumin oxidation is required to inhibit the activity of another major H.pylori toxin CagA. We performed molecular docking of curcumin and its oxidative derivatives with p33 and p55 domains of VacA. Further, we have examined the effect of the oxidation of curcumin on the vacuolation activity of VacA protein. We observed the binding of curcumin to the p55 domain of VacA at five different sites with moderate binding affinities. Curcumin did not bind to p33 domain of VacA. Remarkably, cyclobutyl cyclopentadione and dihydroxy cyclopentadione, which are oxidized products of curcumin, showed a higher binding affinity with VacA protein at all sites except one as compared to parent curcumin itself. However, cyclobutyl cyclopentadione showed a significant binding affinity for the active site 5 of the p55 protein. Active site five (312-422) of p55 domain of VacA plays a crucial role in VacA-mediated vacuole formation. Invitro experiments showed that curcumin inhibited the vacuolation activity of H. pylori in human gastric cell line AGS cells whereas acetyl and diacetyl curcumin, which cannot be oxidized, failed to inhibit the vacuolation in AGS cells after H. pylori infection. Here our data showed that oxidation is essential for the activity of curcumin in inhibiting the vacuolation activity of H. pylori. Synthesis of these oxidized curcumin derivatives could potentially provide new therapeutic drug molecules for inhibiting H. pylori-mediated pathogenesis.

Synthesis, in vitro and computational studies of novel glycosyl-1, 2, 3-1H-triazolyl methyl benzamide derivatives as potential α-glucosidase inhibitory activity.

A series of novel glycosyl-1,2,3-1H-triazolyl methyl benzamide analogues were synthesized by the unambiguous strategy and evaluated for α-glucosidase inhibitory activity. Glycosyl benzamide exhibited a dose-dependent inhibition of α-glucosidase activity. The In-vitro α-glucosidase inhibition activity results indicated that all the synthesized triazolyl methyl benzamide compounds (IC50 values ranging from 25.3 ± 0.8 to 118.5 ± 5.3 µM) exhibited more inhibitory activity in comparison with the standard drug acarbose (IC50 = 750.0 ± 12.5 µM). Among all, the 3 deacetylated glycosyl methyl benzamide derivatives (4c, 4d and 4f) showed promising α-glucosidase enzyme inhibitory activities with IC50 value 25.3 ± 0.8, 26.1 ± 1.5 and 30.6 ± 2.1 respectively. Furthermore, these compounds were subjected to molecular docking and molecular dynamics simulation studies. The molecular docking studies were performed between (PDB ID: 3A4A) target protein and these synthesized molecules. The compounds displayed good docking energies in the range of -7.5 to -7.8 Kcal/mol. This work could be used as an initial approach in identifying potential novel molecules with the promising activity of type-2 diabetes mellitus.

In-silico designing, chemical synthesis, characterization and in-vitro assessment of antibacterial properties of some analogues of curcumin.

In the present work two key regulator proteins, monomeric MipZ of Caulobacter vibrioides (similar to Pseudomonas aeruginosa) and Pyruvate kinase of Staphylococcus aureus were docked with curcumin, the wonder molecule from the spice turmeric and structures of its twelve analogues were designed, synthesized and tested in-vitro for antibacterial activity. Based on the test results a comparative account of the probable mechanism has been given Two major alternative targets are possible for antibacterial activity of drug molecules. These may be bacterial cell wall lipids or the proteins responsible for smooth functioning of bacterial cells. In the former case, due to significant difference in the structural components of the cell walls of Gram positive and Gram negative bacteria, it is improbable that same ligand will affect both equally. Majority of commercial drugs are anti-Gram negative bacteria while in the present work we have found most effective drugs against Gram positive bacteria. Based on the test results a comparative account of the probable mechanism has been given. Evidently along with the cell wall damaging mechanism other parallel mechanisms are also operative.

Metastable Bi2Zr2O7 with Pyrochlore-like Structure: Stabilization, Oxygen Ion Conductivity, and Catalytic Properties.

Equimolar concentrations of Zr4+ and Bi3+ were chelated with ethylenediaminetetraacetic acid ligand with the purpose of using it as a precursor to generate pyrochlore-like Bi2Zr2O7. When the X-ray amorphous precursor was calcined at 750 °C for 3 h in air, pyrochlore-like product with superstructure reflections was identified by powder X-ray diffraction (PXRD) along with one minor reflection due to ß-Bi2O3. This phase was found to be metastable from additional experiments conducted by varying calcination conditions. Structural refinement of PXRD pattern by Le Bail method in Fd3̅ m space group yielded cubic lattice constant of 10.8421(27) Å. Flower-petal-like morphology of the sample was evident in its field-emission scanning electron microscopy image and energy-dispersive X-ray analysis performed at various locations of the specimen confirmed nearly equal concentration of zirconium and bismuth. Six bands at 260, 320, 448, 531, 597, and 828 cm-1 were observed for this sample in its Raman spectrum and supported our claim of pyrochlore-like structure. Indexation of bright spots present in selected area electron diffraction pattern and observed distances of lattice fringes in high-resolution transmission electron microscopy image were in conformity with the results from PXRD measurements. Absorbance maxima at 312, 372, and 423 nm with a broad tailing stretching up to visible region was noticed in the UV-visible spectrum of this sample. Direct band gap of 2 eV was estimated for this sample from Tauc plot. The oxygen ion conductivity of the sample in the temperature range of 333-773 K was examined, and the highest conductivity at 773 K was 3.071 × 10-6 S/cm. From activation energy estimation and dielectric loss analysis, thermally activated process related to the mobility of oxygen ion vacancy was found responsible for the observed ionic conductivity. A similar conclusion was reached after careful analysis of dielectric spectroscopy data of this sample. High surface area (125.04 m2/g) and mesoporosity (pore diameter of 3.81 nm) were possessed by this sample, which paved way for studying its catalytic role in the reduction of nitroaromatics and carcinogenic Cr6+. Cyclability experiments showed the retainment of catalytic activity up to five cycles by the sample without undergoing any structural change.

Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.

Conjugated nitroalkenes and nitrodienes undergo smooth α-hydrazination with azodicarboxylates through an imidazole catalyzed carbon-heteroatom bond formation under Morita-Baylis-Hillman conditions. The resulting hydrazinonitroalkenes take part in 1,3-dipolar cycloaddition with azide under mild conditions to give hydrazinotriazoles. A [3 + 2] annulation with phenols and naphthols involving Michael addition and cyclization as the key steps lead to arenodihydrofurans bearing a key hydrazinodicarboxylate moiety. Both regioisomers of naphthodihydrofurans could be synthesized by our methodology by employing the appropriate naphthol.

Impact of acid mine drainage on haematological, histopathological and genotoxic effects in golden mahaseer, Tor putitora.

The present study was carried out to evaluate sub-lethal mechanism of acid mine drainage toxicity in fingerlings (9.5 ± 2.4 cm) of golden mahseer, Tor putitora. Exposed fingerlings showed significant reduction (P < 0.01) in blood erythrocytes, neutrophils, thrombocytes, lymphocytes and leukocytes in contrast to increase in number of immature circulating cells. Hyperplasia, degeneration of glomeruli, presence of inflammatory cells and increased number of melanomacrophage aggregates, vacuolization of cell cytoplasm, hepatocyte swelling were marked in kidney and liver of fish. Ladder in, an increment of 180-200 bp of hepatic and kidney DNA, by electrophoresis were consistent with DNA damage. 10 day exposure to acid mine drainage resulted in reduction of double stranded DNA to 46.0 and 48.0 in hepatocytes and kidney cells respectively. Significant increase (P < 0.01) in tail length and percent tail DNA was evident by comet assay. The results suggest that exposure to acid mine drainage might cause irreversible damage to immune cells, tissue and DNA of fish, and this model of DNA damage may contribute in identifying novel molecular mechanism of interest for bioremediation application.

Homology modeling of NAD+-dependent DNA ligase of the Wolbachia endosymbiont of Brugia malayi and its drug target potential using dispiro-cycloalkanones.

Lymphatic filarial nematodes maintain a mutualistic relationship with the endosymbiont Wolbachia. Depletion of Wolbachia produces profound defects in nematode development, fertility, and viability and thus has great promise as a novel approach for treating filarial diseases. NAD(+)-dependent DNA ligase is an essential enzyme of DNA replication, repair, and recombination. Therefore, in the present study, the antifilarial drug target potential of the NAD(+)-dependent DNA ligase of the Wolbachia symbiont of Brugia malayi (wBm-LigA) was investigated using dispiro-cycloalkanone compounds. Dispiro-cycloalkanone specifically inhibited the nick-closing and cohesive-end ligation activities of the enzyme without inhibiting human or T4 DNA ligase. The mode of inhibition was competitive with the NAD(+) cofactor. Docking studies also revealed the interaction of these compounds with the active site of the target enzyme. The adverse effects of these inhibitors were observed on adult and microfilarial stages of B. malayi in vitro, and the most active compounds were further monitored in vivo in jirds and mastomys rodent models. Compounds 1, 2, and 5 had severe adverse effects in vitro on the motility of both adult worms and microfilariae at low concentrations. Compound 2 was the best inhibitor, with the lowest 50% inhibitory concentration (IC50) (1.02 µM), followed by compound 5 (IC50, 2.3 µM) and compound 1 (IC50, 2.9 µM). These compounds also exhibited the same adverse effect on adult worms and microfilariae in vivo (P < 0.05). These compounds also tremendously reduced the wolbachial load, as evident by quantitative real-time PCR (P < 0.05). wBm-LigA thus shows great promise as an antifilarial drug target, and dispiro-cycloalkanone compounds show great promise as antifilarial lead candidates.

Cassia fistula galactomannan stabilized copper nanocatalyst as an efficient, recyclable heterogeneous catalyst for the fast clickable [3+2] Huisgen cycloadditions in water.

In this study, we have first time investigated the synthesis of copper nanocatalyst by using biopolymer galactomannan, naturally extracted from Cassia fistula pods. The methodology involved for the preparation of copper nanocatalyst is economical, efficient, environment friendly, and did not involve further processing for stabilization or reduction of copper nanoparticles. The morphology and structural characterization of the nanocatalyst was performed by using different techniques such as FT-IR, 1H NMR, SEM, EDX, HR-TEM, XRD, XPS, ICP-MS, BET, and TGA analysis. The prepared copper nanocatalyst is applied for the click [3+2] Huisgen cycloadditions of various azides and alkynes, employing water as environmentally benign solvent. In comparison to earlier reported methods, our method requires lowest catalyst loading, less reaction time, excellent yields and have wide substrate scope. Additionally, the catalyst was easily recovered by simple filtration and recycled at least ten consecutive times without any appreciable loss of efficiency and selectivity. The effect of mannose and galactose (Man/Gal) ratio of Cassia fistula galactomannan on the catalytic activity were also investigated.

A green and economic approach to synthesize magnetic Lagenaria siceraria biochar (γ-Fe2O3-LSB) for methylene blue removal from aqueous solution.

In the printing and textile industries, methylene blue (a cationic azo dye) is commonly used. MB is a well-known carcinogen, and another major issue is its high content in industrial discharge. There are numerous removal methodologies that have been employed to remove it from industrial discharge; however, these current modalities have one or more limitations. In this research, a novel magnetized biochar (γ-Fe2O3-LSB) was synthesized using Lagenaria siceraria peels which were further magnetized via the co-precipitation method. The synthesized γ-Fe2O3-LSB was characterized using FTIR, X-ray diffraction, Raman, SEM-EDX, BET, and vibrating sample magnetometry (VSM) for the analysis of magnetic properties. γ-Fe2O3-LSB showed a reversible type IV isotherm, which is a primary characteristic of mesoporous materials. γ-Fe2O3-LSB had a specific surface area (SBET = 135.30 m2/g) which is greater than that of LSB (SBET = 11.54 m2/g). γ-Fe2O3-LSB exhibits a saturation magnetization value (Ms) of 3.72 emu/g which shows its superparamagnetic nature. The batch adsorption process was performed to analyze the adsorptive removal of MB dye using γ-Fe2O3-LSB. The adsorption efficiency of γ-Fe2O3-LSB for MB was analyzed by varying parameters like the initial concentration of adsorbate (MB), γ-Fe2O3-LSB dose, pH effect, contact time, and temperature. Adsorption isotherm, kinetic, and thermodynamics were also studied after optimizing the protocol. The non-linear Langmuir model fitted the best to explain the adsorption isotherm mechanism and resulting adsorption capacity ( q e =54.55 mg/g). The thermodynamics study showed the spontaneous and endothermic nature, and pseudo-second-order rate kinetics was followed during the adsorption process. Regeneration study showed that γ-Fe2O3-LSB can be used up to four cycles. In laboratory setup, the cost of γ-Fe2O3-LSB synthesis comes out to be 162.75 INR/kg which is low as compared to commercially available adsorbents. The results obtained suggest that magnetic Lagenaria siceraria biochar, which is economical and efficient, can be used as a potential biochar material for industrial applications in the treatment of wastewater.

Zircon PrVO4: an efficient heterogeneous catalyst for tandem oxidative synthesis of 2,3-disubstituted quinoline derivatives.

The current study addresses the usage of inherent redox couplets in PrVO4 crystallizing in a zircon-type structure for tandem oxidative transformation. Monophasic PrVO4, synthesized using a solution combustion synthesis method, showed a tetragonal zircon-type structure in its PXRD pattern (S.G. I41/amd). The tetragonal symmetry of the zircon PrVO4 was also confirmed from electron microscopic and vibrational spectroscopic measurements. From XPS analysis, the existence of redox couplets Pr3+/Pr4+ and V4+/V5+ in PrVO4 was established. The catalytic utility of zircon PrVO4 for one-pot synthesis of 2,3-disubstituted quinolines through the oxidative tandem reaction of 2-aminobenzylalcohols with 1,3-dicarbonyl compounds has been demonstrated. This highly efficient method proceeds under molecular oxygen, tolerates different functional groups, and produces various substituted quinoline derivatives in good to excellent yields. The important features of the process are the easy workup, simple catalyst recovery, and reusability.

Adhesive Capsulitis After COVID-19 Vaccination: A Case Series.

ABSTRACT: Of the many bizarre complications of administration of the COVID 19 vaccine, adhesive capsulitis is almost unheard of, although shoulder injury related to vaccine administration, which by definition has symptom onset within 48 hrs and is caused by faulty injection technique, has been rarely reported. Nine cases of adhesive capsulitis, five males and four females with a mean age of 48.7 ± 12.7 yrs, presenting within 1 mo of intramuscular Covishield vaccine on the ipsilateral deltoid and fulfilling the standard UK FROST Multicenter Study diagnostic criteria are reported. The mean time interval from vaccination until symptom onset was 12.3 ± 3.1 days, and mean symptom duration was 9.4 ± 2.4 wks. Conventional treatment with nonsteroidal anti-inflammatory drugs, followed by intra-articular steroid injection coupled with suprascapular nerve steroid block, improved the pain score and range of movement in 8 wks. The exact pathogenesis remains an enigma, although mechanisms such as local spread via deltoid muscle microvasculature, nerves, or shoulder injury related to vaccine administration causing secondary adhesive capsulitis have been hypothesized. While adhesive capsulitis is a very common diagnosis in the physiatric outpatient setting, the possible association with Covishield vaccination, the Indian version of the Oxford AstraZeneca recombinant ChAdOx1 nCoV-19 vaccine, is almost absent in existing literature and hence likely to be missed by clinicians, which necessitates this report.

Photoluminescence Investigations and Band Gap Engineering in Environment Friendly ZnO Nanorods: Enhanced Water Treatment Application and Defect Model.

The inadvertent discharge of industrial effluents, mainly textile, contributes to the complex contamination load in water bodies. Textile dyes are the critical effluents and recalcitrant to traditional remediation procedures. Therefore, energy viable and environment friendly solutions are needed. In this study, we have synthesized zinc oxide nanorods (NRs) at various temperatures using modified thermal decomposition and evaluated its photocatalytic activities. Field effect scanning electron microscopy has confirmed rod-like morphology till TS = 500 °C and spherical morphology from TS = 600 °C onward. Photoluminescence spectra have shown a prominent defect peak in the synthesized ZnO, except for the NRs synthesized at 300 °C. Synthesized ZnO NRs and NPs have been employed to degrade crystal violet (CV) and congo red (CR) dyes. ZnO NRs have shown impressive photocatalytic performance with faster treatment time as compared to the earlier reports. Synthesis parameters are well correlated with the observed high efficiency and the band gap tailoring. Based on our findings, for the first time, we have proposed (i) defect model correlating synthesis parameters with defect states, (ii) systematic correlation of defect states with photocatalytic efficiency, and (iii) ZnO nanorods synthesized at 300 °C via an improved synthesis method as a promising photocatalytic solution to degrade the CV and CR dyes in contaminated water.

Adsorption characteristics of magnetized biochar derived from Citrus limetta peels.

Agro-industrial waste is an alarming issue that needs to be addressed. Waste valorization is an effective technique to deal with such effectively. Synthesis of biochar from fruit waste is one of the emerging approaches for adsorption, energy storage, air purification, catalysis, and biogas production trending these days. Magnetized Citrus limetta biochar (MCLB) was synthesized from Citrus limetta peels and was magnetized using iron oxide. Magnetization of biochar increases its functionalities as well as makes its separation easy. The removal of Methylene Blue (MB) dye from an aqueous solution is achieved through the use of MCLB. Methylene Blue is a prominent and widely used cationic-azo dye in the textile and printing industries. The accumulation of MB in wastewater is the major problem as MB is reported as a carcinogenic agent. The removal of MB dye with MCLB was analyzed by adsorption studies, wherein the effect of factors influencing adsorption such as initial concentration of MB dye, MCLB dosage, the effect of pH, contact time, and adsorption isotherms were studied. Characterization of MCLB was carried out using various techniques, such as FTIR, VSM, XRD, SEM, RAMAN, and Zeta potential. The adsorption isotherm mechanism was well explained with the non-linear Langmuir isotherm model resulting in a good adsorption capacity (qe = 41.57 mg/g) of MCLB when MB (co = 60 mg/L, pH ~ 6.8, T = 273K). The thermodynamics analysis revealed that MB's spontaneous and endothermic adsorption onto the MCLB surface followed pseudo-second-order kinetics. The results obtained from this study suggest that the magnetized biochar derived from Citrus limetta peels has a wide range of potential applications in the treatment of dyeing wastewater.

Extracorporeal Shockwave Therapy Versus Platelet Rich Plasma Injection in Patients of Chronic Plantar Fasciitis: A Randomized Controlled Trial From a Tertiary Center of Eastern India.

Introduction Plantar fasciitis is a degenerative condition of the plantar fascia that leads to heel and sole pain. Physical modalities, physiotherapy, medication, and orthoses have been tried before as treatments. Extracorporeal shockwave therapy (ESWT) and the injection of autologous platelet-rich plasma (PRP) are generally effective in the treatment of plantar fasciitis, which might be resistant to other conservative measures. The present study compares the efficacy of ESWT and PRP injection in respect of symptomatic relief, functional improvement, and change in plantar fascia thickness (PFT). Methods Seventy-two patients were enrolled and randomized into two groups. Patients in the first group received ESWT, whereas patients in the second group received PRP injections. Patients were evaluated using the Visual Analog Scale (VAS) and the American Orthopedic Foot and Ankle Society (AOFAS) score, along with PFT measurement (using ultrasonography) before the treatment and at days 15, 30, and 90 after the treatment. The X2 test was used to compare qualitative variables, and the paired T-test was used to evaluate quantitative data. Quantitative variables had a normal distribution with a standard deviation, and the significance level was set at P-value=0.05. Results On day 0, the mean VAS of the ESWT and PRP groups were 6.44±1.11 and 6.78±1.17, respectively (p=0.237). On day 15, the mean VAS of the ESWT and PRP groups were 4.67±1.45 and 6.67±1.35, respectively (p<0.001). At day 30, the mean VAS of the ESWT and PRP groups were 4.97±1.46 and 4.69±1.39, respectively (p=0.391). On day 90, the mean VAS of the ESWT and PRP groups were 5.47±1.63 and 3.36±0.96 (p<0.001). On day 0, the mean PFTs of the ESWT and PRP groups were 4.73±0.40 and 5.19±0.51, respectively (p<0.001). At day 15, the mean PFT of the ESWT and PRP groups were 4.64±0.46 and 5.11±0.62, respectively (p<0.001) which changed to 4.52±0.53 and 4.40±0.58 at day 30 (p<0.001), and to 4.40±0.50 and 3.82±0.45 at day 90 (p<0.001). The mean AOFAS of the ESWT and PRP groups were 68.39±5.88 and 64.86±8.95 on day 0 (p=0.115), 72.58±6.26 and 67.22±10.47 on day 15 (p=0.115), 73.22±6.92 and 74.72±7.52 on day 30 (p=0.276), and 72.75±7.90 and 81.08±6.01 on day 90, respectively (p<0.001). Conclusion Both PRP injection and ESWT are very effective methods to improve pain and cause reduced plantar fascia thickness in patients with chronic plantar fasciitis non-responsive to other conservative measures. PRP injection is more effective at a longer duration as compared to ESWT.

Very rare incidence of ascending paralysis in a patient of traumatic spinal cord injury: a case report.

INTRODUCTION: After spinal cord injury, further neurological deterioration up to one to two neurological levels is not uncommon. Late neurological deterioration can occur after two months, mainly due to the syrinx formation. In a rare case like in sub-acute post-traumatic ascending myelopathy, the neurological level may ascend more than four levels from the initial level of injury and it usually starts within a few weeks after injury. CASE PRESENTATION: Our case was diagnosed as a case of traumatic spinal cord injury having a lower thoracic neurological level of injury initially, which rapidly progressed over a few weeks into a higher thoracic neurological level. He was operated with pedicle screw fixation of the spine before admission to rehabilitation unit. He was having progressive ascending neurological deterioration, starting a few days after surgery, which was evident by the progression of neurological level by more than four segments clinically. Cerebrospinal fluid(CSF) study showed no significant abnormality. Magnetic resonance imaging (MRI) study showed involvement of the spinal cord at the upper thoracic region. Patient was monitored to note any further worsening. Rehabilitation and supportive measures were provided according to standard protocol. DISCUSSION: Very few cases of ascending paralysis of more than four levels have been reported globally. It results in increased morbidity and mortality in spinal cord injury patients. In our case few possible reasons are ruled out but the actual underlying reason was not clear. Various hypotheses have been proposed as the cause in previous published literatures. Management is mostly supportive.

Identification of SARS-CoV-2 RNA dependent RNA polymerase inhibitors using pharmacophore modelling, molecular docking and molecular dynamics simulation approaches.

The RNA-dependent RNA polymerase (RdRp) is one of the crucial enzymes in severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) catalysing the replication of RNA, therefore acts as a potential target for antiviral drug design. The fixation of a ligand in the active site of RdRp may alter the SARS-CoV-2 life cycle. Present work aimed at identifying novel inhibitors of the SARS-CoV-2 RdRp enzyme by performing pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation (MDS). Initially, the pharmacophore model of SARS-CoV-2 RdRp was constructed and the resulting model was used to screen compounds from ChEMBL, ZINC and PubChem databases. During the investigation, 180 compounds were screened using the above model and subjected to molecular docking with RdRp. Two compounds viz. ChEMBL1276156 and PubChem135548348 showed a strong binding affinity with RdRp than its standard inhibitor, Remdesivir. Toxicity prediction of these two compounds reveals their non-toxic nature. These compounds were further subjected to MDS for 100 ns to check their stability after binding with RdRp. The MDS of RdRp-ChEMBL1276156 and RdRp-PubChem135548348 complexes show enhanced stability in comparison to the RdRp-Remdesivir complex. The average interaction energy calculated after 100 ns of MDS was -146.56 and -172.68 KJ mol-1 for RdRp-CHEMBL1276156 complex and RdRp-PubChem135548348 complex, respectively, while -59.90 KJ mol-1 for RdRp-Remdesivir complex. The current investigation reveals that these two compounds are potent inhibitors of SARS-CoV-2 RdRp and they could be tested in the experimental condition to evaluate their efficacy against SARS-CoV-2.Communicated by Ramaswamy H. Sarma.