159 results on '"Sharma CS"'
Search Results
2. State of the Art and Future Research Needs for Multiscale Analysis of Li-Ion Cells
- Author
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Shah, K, Balsara, N, Banerjee, S, Chintapalli, M, Cocco, AP, Chiu, WKS, Lahiri, I, Martha, S, Mistry, A, Mukherjee, PP, Ramadesigan, V, Sharma, CS, Subramanian, VR, Mitra, S, and Jain, A
- Subjects
Engineering ,Materials Engineering - Abstract
The performance, safety, and reliability of Li-ion batteries are determined by a complex set of multiphysics, multiscale phenomena that must be holistically studied and optimized. This paper provides a summary of the state of the art in a variety of research fields related to Li-ion battery materials, processes, and systems. The material presented here is based on a series of discussions at a recently concluded bilateral workshop in which researchers and students from India and the U.S. participated. It is expected that this summary will help understand the complex nature of Li-ion batteries and help highlight the critical directions for future research.
- Published
- 2017
3. Efficacy evaluation of anti-inflammatory/antipyretic herbal preparation in cattle
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Kumar, Kuldeep, primary, ., Brahmanand, additional, Sharma, CS, additional, Koli, Surendra, additional, and Gupta, Shreya, additional
- Published
- 2024
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4. Efficacy evaluation of some polyherbal preparations in management of bloat in large ruminants
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Kumar, Kuldeep, primary, ., Brahmanand, additional, Soni, Monika, additional, Sharma, CS, additional, and Gupta, Shreya, additional
- Published
- 2024
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5. Computer Aided Process Planning for Multi Turret CNC Machines
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International Mechanical Engineering Congress and Exhibition (1991 : Sydney, N.S.W.), Tak, SS, and Sharma, CS
- Published
- 1991
6. Psychiatric Morbidity and Quality of Life in Patients suffering from Psoriasis in a Tertiary Care Hospital
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Kumar, Santosh, primary, Shrivastava, RK, additional, Jaiswal, Arpit, additional, Yaduvanshi, Rakesh, additional, Sharma, CS, additional, Ali, Ramjan, additional, and Rathoure, PK, additional
- Published
- 2017
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7. Optimal microscale water cooled heat sinks for targeted alleviation of hotspot in microprocessors
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Sharma, CS, Tiwari, MK, Poulikakos, D, and 4th Micro and Nano Flows Conference (MNF2014)
- Subjects
Microchannels ,Hotspot-targeted cooling ,Electronics cooling ,Hotspots - Abstract
This paper was presented at the 4th Micro and Nano Flows Conference (MNF2014), which was held at University College, London, UK. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute, ASME Press, LCN London Centre for Nanotechnology, UCL University College London, UCL Engineering, the International NanoScience Community, www.nanopaprika.eu. Hotspots in microprocessors arise due to non-uniform utilization of the underlying integrated circuits during chip operation. Conventional liquid cooling using microchannels leads to undercooling of the hotspot areas and overcooling of the background area of the chip resulting in excessive temperature gradients across the chip. These in turn adversely affect the chip performance and reliability. This problem becomes even more acute in multi-core processors where most of the processing power is concentrated in specific regions of the chip called as cores. We present a 1-dimensional model for quick design of a microchannel heat sink for targeted, single-phase liquid cooling of hotspots in microprocessors. The method utilizes simplifying assumptions and analytical equations to arrive at the first estimate of a microchannel heat sink design that distributes the cooling capacity of the heat sink by adapting the coolant flow and microchannel size distributions to the microprocessor power map. This distributed cooling in turn minimizes the chip temperature gradient. The method is formulated to generate a heat sink design for an arbitrary chip power map and hence can be readily utilized for different chip architectures. It involves optimization of microchannel widths for various zones of the chip power map under the operational constraints of maximum pressure drop limit for the heat sink. Additionally, it ensures that the coolant flows uninterrupted through its entire travel length consisting of microchannels of varying widths. The resulting first design estimate significantly reduces the computational effort involved in any subsequent CFD analysis required to fine tune the design for more complex flow situations arising, for example, in manifold microchannel heat sinks.
- Published
- 2014
8. Comparison of efficacy of intraperitoneal instillation of bupivacaine alone with bupivacaine – fentanyl and bupivacaine –tramadol combination for alleviation of post-operative pain following laparoscopic cholecystectomy: a randomized prospective study
- Author
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Sharma, CS, Singh, M, Rautela, RS, Adlakha, N, Kochar, A, and Verma, UC
- Subjects
Laparoscopic cholecystectomy ,Bupivacaine ,bupivacaine plus opioid - Abstract
Aim: A prospective randomized study was conducted to compare effect of bupivacaine with bupivacaine plus fentanyland bupivacaine plus tramadol, intraperitoneally for postoperative pain relief in patients undergoing laparoscopiccholecystectomy under general anaesthesia.Methods: Sixty ASA I & 2 female patients, 20-50 years, undergoing laparoscopic cholecystectomy under generalanaesthesia, were enrolled. Standard anaesthesia was administered and laparoscopic cholecystectomy was performed.At the end of successful surgery, patients were randomly assigned into group C (20 ml of 0.25% Bupivacaine, n=20),group T( 20 ml of 0.25% Bupivacaine with tramadol 2 mg/kg, n=20) and group F( 20 ml of 0.25% Bupivacaine withfentanyl 2ìg/kg, n=20).Test solution was sprayed, using catheter inserted into sub-costal trocar at upper surface ofliver and right sub-diaphragmatic space and it diffused into hepato-diaphragmatic space near and above hepatoduodenalligament and above the gall bladder. After reversal of neuromuscular blockade patients were assessed forpain using VAS score, presence of shoulder pain, number of analgesic doses and adverse effects at 30 minutes, 1, 2, 3,4, 6, 8, 12, and 24 hours postoperatively . Rescue analgesia consisted of intramuscular injection of 75mg diclofenacsodium (if VAS>4).Results: Visual analogue score in the early post-operative period was significantly lower in group T and F. At 12 and 24hours, the number of patients having shoulder pain was higher in group C.Conclusion: Intraperitoneal analgesia using local anaesthetic plus opioid is effective in the reduction of pain in earlypostoperative hours. It can be recommended in patients undergoing laparoscopic cholecystectomy.Keywords: Laparoscopic cholecystectomy; Bupivacaine; bupivacaine plus opioid
- Published
- 2013
9. Organochlorine pesticide residue levels and oxidative stress in preterm delivery cases
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Pathak, Rahul, primary, Suke, Sanvidhan G, additional, Ahmed, Tanzeel, additional, Ahmed, Rafat S, additional, Tripathi, AK, additional, Guleria, Kiran, additional, Sharma, CS, additional, Makhijani, SD, additional, and Banerjee, BD, additional
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- 2010
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10. A new generation of 7-Chloro-4-Aminoquinoline antimalarials
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Singh, V, primary, Tyagi, L, additional, Singhal, M, additional, Sharma, CS, additional, and Sharma, ML, additional
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- 2010
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11. Licofelone- novel analgesic and anti-inflammatory agent for osteoarthritis: An overview
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Gaur, K, primary, Kori, ML, additional, Tyagi, LK, additional, Singh, V, additional, Nema, RK, additional, Tripathi, P, additional, and Sharma, CS, additional
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- 2009
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12. Synthesis and screening for analgesic and anti-inflammatory activities of some novel amino acid-containing bicyclo compounds
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Sharma, CS, primary, Nema, RK, additional, and Sharma, VK, additional
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- 2009
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13. Anti-inflammatory and analgesic activity ofBalanites aegyptiaca in experimental animal models
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Gaur, Kalpesh, primary, Nema, RK, additional, Kori, ML, additional, Sharma, CS, additional, and Singh, Virendra, additional
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- 2008
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14. Acute carpal tunnel syndrome due to a hemangioma of the median nerve
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Meena, DS, primary, Sharma, Mrinal, additional, Sharma, CS, additional, and Patni, Purnima, additional
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- 2007
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15. Ununited fracture neck of femur treated with closed reduction and internal fixation with cancellous screw and fibular strut graft
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Singh, Daria, primary, Sharma, CS, additional, Bansal, Mahesh, additional, Meena, DS, additional, Asat, RP, additional, and Joshi, Narendra, additional
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- 2006
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16. Psychiatric Manifestations in three cases of Acute Intermittent Porphyria
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Narang, Neatu, primary, Banerjee, A, additional, Kotwal, J, additional, Kaur, Jasmeet, additional, Sharma, YV, additional, and Sharma, CS, additional
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- 2003
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17. A REVIEW OF THE CONTEMPORARY REGULATION AND STATE OF E-COMMERCE SECTOR IN INDIA.
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Sharma, CS Sunil
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ELECTRONIC commerce ,ONLINE shopping ,INFORMATION technology research ,TECHNOLOGY research ,GOVERNMENT regulation - Abstract
The study focuses on the privy of the regulation and existing stage of the e-commerce sector in India. The booming of online-shopping coupled with the advent of technology with increased level of IT skills amongst the masses has made the e-commerce in India a buzzing fact. The study reviews the existing regulations and trends in the e-commerce sector in In [ABSTRACT FROM AUTHOR]
- Published
- 2015
18. Ilizarov hip reconstruction in skeletally mature young patients with chronic unstable hip joints.
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Marimuthu K, Joshi N, Sharma CS, Bhargava R, Meena DS, Bansiwal RC, and Govindasamy R
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- 2011
19. Leprosy relief and control work in Tirukoilur Taluk, South India
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Sharma Cs G and Ekambaram
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medicine.medical_specialty ,Work ,Biomedical Research ,business.industry ,India ,General Medicine ,medicine.disease ,Work (electrical) ,Family medicine ,Leprosy ,Medicine ,Optometry ,Humans ,business - Published
- 1958
20. Bacillus Cereusfrom the Food of Animal Origin in India and Its Public Health Significance
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Sharma, CS, Sharma, DK, Gill, JPS, Aulakh, RS, and Sharma, JK
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- 2003
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21. MoSe 2 -Layered Nanosheet Decorated SnO 2 Hollow Nanofiber-Based Highly Sensitive and Selective Room Temperature H 2 S Gas Sensor.
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Ruksana S, Rajbhar MK, Das B, Sharma CS, and Kumar M
- Abstract
In this work, we successfully demonstrated a MoSe
2 @SnO2 nanocomposite-based room temperature H2 S 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 MoSe2 -layered nanosheets and SnO2 -hollow nanofiber result in a high surface area for H2 S gas adsorption. On exposure to calcination, the electro-spun PVP/SnO2 nanofiber undergoes the Kirkendall phenomenon, resulting in 94.6 nm thick hollow nanofibers. The combination of TMD@SMO shows an abundance of charge transfer, resulting in an excellent response toward H2 S gas. The MoSe2 @SnO2 detects a low concentration of 500 ppb with a relative response of ∼19.9% at room temperature (RT). The simulation, using density functional theory (DFT), discloses that the adsorption energies ranged from -0.3645 to -0.5193 eV, indicating reduced bond lengths and significant H2 S interactions. The sensor proves an excellent sensitivity toward H2 S gas, ranging from 100 ppm to 500 ppb, with a LoD of ∼15 ppb at RT. As the sensor worked at RT with accuracy and reliability, consistent performance was observed upon exposure to various humidity levels, making it suitable for exhaled breath gas sensors. The sensor, as developed, also exhibited a good selectivity toward H2 S gas in contrast to other gases as well as stability and longevity over time.- Published
- 2024
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22. Tetrahydropyridine appended 8-aminoquinoline derivatives: Design, synthesis, in silico, and in vitro antimalarial studies.
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Sharma G and Sharma CS
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- Humans, Dose-Response Relationship, Drug, Molecular Docking Simulation, Molecular Structure, Pyridines chemistry, Pyridines pharmacology, Pyridines chemical synthesis, Structure-Activity Relationship, Aminoquinolines chemistry, Aminoquinolines pharmacology, Aminoquinolines chemical synthesis, Antimalarials pharmacology, Antimalarials chemical synthesis, Antimalarials chemistry, Drug Design, Parasitic Sensitivity Tests, Plasmodium falciparum drug effects
- Abstract
Antimalarial drug resistance is a major obstacle in the ongoing quest against malaria. The disease affects half of the world's population. The majority of them are toddlers and pregnant women. Needed a potent compound to act on drug-resistant Pf at appropriate concentrations without endangering the host. Envisaged solving this issue through rational drug design by creating a novel hybrid drug possessing two pharmacophores that can act on two marvellous and independent aims within the cell. Synthesized a new series of substituted 4-phenyl-1,2,3,6-tetrahydropyridine (THP) 8-Aminoquinoline-based hybrid analogs which have been integrated with quinoline, chloroquine, pamaquine, and primaquine, which exhibited antimalarial activity against Pf. Out of thirteen 4-phenyl-1,2,3,6-THP appended 8-Aminoquinoline derivatives, the compounds 1j, 1e, 1b, and 1l have exhibited good antimalarial activity against chloroquine-sensitive (3D7) and chloroquine-resistant (RKL-9) strain with the minimum inhibitory concentration. Compound 1b was the most effective and showed consistently good potency against the drug-resistant (RKL-9) strain, although all other arrays showed good antimalarial efficacy. Additional docking and molecular dynamics studies were carried out at several targeting sites to quantify the structural parameters necessary for the activity., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)
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- 2024
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23. Damping the jump of coalescing droplets through substrate compliance.
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Pal GC, Agrawal M, Siddhartha SS, and Sharma CS
- Abstract
Sessile droplets coalescing on superhydrophobic surfaces result in spontaneous droplet jumping. Here, through coalescence experiments and fluid-structure interaction simulations for microliter droplets, we demonstrate that such droplet jumping can be damped if the underlying substrate is designed to be compliant. We show that a compliant superhydrophobic substrate with synergistic combinations of low stiffness and inertia deforms rapidly during the coalescence process to minimize the substrate reaction, thus diminishing the jumping velocity. A spring-mass system model for coalescing water droplets is proposed that successfully captures droplet motion and substrate deformation for a wide range of compliant superhydrophobic substrates. These insights can be leveraged to improve the process efficiency in multiple applications, such as designing compliant superhydrophobic substrates for minimizing the scattering of small, nanoliter-sized droplets during atmospheric water harvesting. Lastly, experiments on an exemplar butterfly wing show that droplet jumping velocity reduction can also manifest on natural superhydrophobic substrates due to their inherent compliance.
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- 2024
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24. Functionalized Metal-Free Carbon Nanosphere Catalyst for the Selective C-N Bond Formation under Open-Air Conditions.
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Krishan K, Swapna B, Chourasia AK, Sharma CS, and Sudarsanam P
- Abstract
A versatile shape-controlled carbon nanomaterial that can efficiently catalyze the selective C-N coupling reactions under metal-free and open-air conditions was developed by applying N-doping and KOH activation strategies in candle soot (ANCS). The TEM and elemental mapping results showed the formation of sphere-shaped carbon particles as well as the uniform distribution of nitrogen species in the carbon framework. KOH activation enhanced the specific surface area of carbon, whereas N-doping enriched the electron-deficient nature by introducing functional N-based pyrrolic/graphitic structures in the carbon framework. The synergistic effect of N-doping and KOH activation significantly improved the catalytic efficiency of the carbon catalyst (ANCS), giving a 96% conversion of o -phenylenediamine (OPD) with a good selectivity to 2-phenylbenzimidazole (97%). In contrast, the pristine carbon exhibited very low activity (48% conversion of the OPD and 36% selectivity to 2-phenylbenzimidazole). Besides, the ANCS nanomaterial provided a facile catalytic approach for the homo- and cross-C-N condensation of various aromatic amines and diamines to produce diverse functional imines and benzimidazoles at mild conditions. This work provided promising insights into developing advanced, metal-free carbon-based catalysts for selective C-N coupling reactions to produce valuable drug motifs., Competing Interests: The authors declare no competing financial interest., (© 2024 The Authors. Published by American Chemical Society.)
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- 2024
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25. Metal Surface Engineering for Extreme Sustenance of Jumping Droplet Condensation.
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Donati M, Regulagadda K, Lam CWE, Milionis A, Sharma CS, and Poulikakos D
- Abstract
Water vapor condensation on metallic surfaces is critical to a broad range of applications, ranging from power generation to the chemical and pharmaceutical industries. Enhancing simultaneously the heat transfer efficiency, scalability, and durability of a condenser surface remains a persistent challenge. Coalescence-induced condensing droplet jumping is a capillarity-driven mechanism of self-ejection of microscopic condensate droplets from a surface. This mechanism is highly desired due to the fact that it continuously frees up the surface for new condensate to form directly on the surface, enhancing heat transfer without requiring the presence of the gravitational field. However, this condensate ejection mechanism typically requires the fabrication of surface nanotextures coated by an ultrathin (<10 nm) conformal hydrophobic coating (hydrophobic self-assembled monolayers such as silanes), which results in poor durability. Here, we present a scalable approach for the fabrication of a hierarchically structured superhydrophobic surface on aluminum substrates, which is able to withstand adverse conditions characterized by condensation of superheated steam shear flow at pressure and temperature up to ≈1.42 bar and ≈111 °C, respectively, and velocities in the range ≈3-9 m/s. The synergetic function of micro- and nanotextures, combined with a chemically grafted, robust ultrathin (≈4.0 nm) poly-1 H ,1 H ,2 H ,2 H -perfluorodecyl acrylate (pPFDA) coating, which is 1 order of magnitude thinner than the current state of the art, allows the sustenance of long-term coalescence-induced condensate jumping drop condensation for at least 72 h. This yields unprecedented, up to an order of magnitude higher heat transfer coefficients compared to filmwise condensation under the same conditions and significantly outperforms the current state of the art in terms of both durability and performance establishing a new milestone.
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- 2024
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26. Generating Mutant for a Stress-Responsive Gene in Rice Using CRISPR-Cas9 System.
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Prakash CS and Sunkar R
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- Mutation, Plants, Genetically Modified genetics, DNA Breaks, Double-Stranded, Stress, Physiological genetics, Oryza genetics, CRISPR-Cas Systems, Gene Editing methods, RNA, Guide, CRISPR-Cas Systems genetics
- Abstract
CRISPR/Cas9 system is one of the most often utilized engineering tools for genome editing in many organisms including crop plants and presents great value in both basic and applied research. This is a preferred method because of its relative simplicity, cost-effectiveness, and reliability. The Cas9 nuclease guided by a short single guide RNA (gRNA) can generate double-strand DNA breaks (DSB) at the specific sites in chromosomal DNA. The DSB site is repaired by error-prone repair methods. During repair, some nucleotides are deleted or added at the target site. Here, we present a simplified protocol for generating mutants in gene of interest in rice using CRISPR/Cas9., (© 2024. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.)
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- 2024
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27. Investigation of human hair keratin-based nanofibrous scaffold for skin tissue engineering application.
- Author
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Aadil KR, Nathani A, Rajendran A, Sharma CS, Lenka N, and Gupta P
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- Humans, Mice, Animals, Tissue Scaffolds chemistry, Keratins, Hair-Specific, Skin, Cell Proliferation, Tissue Engineering methods, Nanofibers chemistry
- Abstract
Keratin-based nanofibers were fabricated using the electrospinning technique, and their potential as scaffolds for tissue engineering was investigated. Keratin, extracted from the human hair, was blended with poly(vinyl alcohol) (PVA) in an aqueous medium. Morphological characterizations of the fabricated PVA-keratin nanofiber (PK-NF) random and aligned scaffolds performed using a scanning electron microscope (SEM) revealed the formation of uniform and randomly oriented nanofibers with an interconnected three-dimensional network structure. The mean diameter of the nanofibers ranged from 100 to 250 nm. Functional groups and structural studies were done by infrared spectroscopy (FTIR) and X-ray diffraction (XRD) analysis. FTIR study suggested that PVA interacted with keratin by hydrogen bonding. Moreover, the in vitro cell culture study could suggest that PK-NF scaffolds were non-cytotoxic by supporting the growth of murine embryonic stem cells (ESCs), human keratinocytes (HaCaT), and dermal fibroblast (NHDF) cell lines. Further, the immunocytochemical characterization revealed the successful infiltration, adhesion, and growth of ESCs, HaCaT, and NHDF cells seeded on PK-NF scaffolds. However, there was no noteworthy difference observed concerning cell growth and viability irrespective of the random and aligned internal fibril arrangement of the PK-NF scaffolds. The infiltration and growth pattern of HaCaT and NHDF cells adjacent to each other in a 3D co-culture study mimicked that of epidermal and dermal skin cells and indeed underscored the potential of PK-NFs as a scaffold for skin tissue engineering., (© 2023. Controlled Release Society.)
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- 2024
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28. Modeling Dropwise Condensation on Hydrophobic Microgrooved Surface.
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Bahal S and Sharma CS
- Abstract
Dropwise condensation heat transfer on water-repellent surfaces is inherently linked to the mode of droplet departure from the surface. When a microgrooved hydrophobic surface is exposed to condensation, multiple spontaneous droplet removal pathways for surface renewal are manifested. We present numerical modeling of dropwise condensation on a microgrooved hydrophobic surface. Our model is an extension of the well-established one-dimensional modeling approach involving estimation of overall condensation heat transfer through the integration of individual droplet contributions. The model presented here accounts for all the surface renewal mechanisms observed on the microgrooved hydrophobic surface: growth and coalescence of condensate droplets within the microgroove and on the ridges, imbibition of the microgrooves with condensate, bulge formation, spontaneous dewetting of the microgrooves, and shedding of large drops through gravity. The modeling results show that the microgrooves trigger condensate shedding from the surface much earlier compared to a planar hydrophobic surface. As a result, the microgrooved hydrophobic surface maintains a much lower area coverage and attains a significantly higher condensation heat flux compared to a planar surface. The model also enables isolation of the relative contributions of the four mechanisms, wherein it is observed that the spontaneous dewetting transition of microgrooves dominates the other mechanisms in terms of the overall surface renewal rate. This is in contrast to the planar hydrophobic surface where droplet shedding under gravity is the main surface renewal mechanism. Finally, we also evaluate the effect of microgroove geometry on the condensation heat transfer performance. The model predicts that hydrophobic microgrooves with depth of ∼200 μm and narrow widths below ∼100 μm can yield enhanced thermal performance.
- Published
- 2023
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29. In silico guided screening of active components of C. lanceolata as 3-chymotrypsin-like protease inhibitors of novel coronavirus.
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Sharma G, Kumar N, Sharma CS, and Mishra SS
- Abstract
Despite the intense worldwide efforts towards the identification of potential anti-CoV therapeutics, no antiviral drugs have yet been discovered. Numerous vaccines are now approved for use, but they all serve as preventative measures. To effectively treat viral infections, it is crucial to find new antiviral drugs that are derived from natural sources. Various compounds with potential activity against 3 chymotrypsin-like protease (3CLpro) were reported and some are validated by bioassay studies. Therefore, we performed the computational screening of phytoconstituents of Codonopsis lanceolata to search for potential antiviral hit candidates. The curated compounds of the plant C. lanceolata were collected and downloaded from the literature. The binding affinity of the curated datasets was predicted for the target 3CLpro. Stigmasterol exhibits the highest docking score for the 3CLpro target. In addition, molecular dynamics (MD) simulations were conducted for the validation of docking results using root mean square deviation and root mean square fluctuation plots. The MD results indicated that the docked complex was stable and retained hydrogen bonding and non-bonding interactions. Furthermore, the calculation of pharmacokinetic parameters and Lipinski's rule of five suggest that C. lanceolata has the potential for drug-likeness. In order to develop new medicines for this debilitating disease, we will focus on the primary virus-based and host-based targets that can direct medicinal chemists to identify novel treatments to produce new drugs for it., Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-023-03745-2., Competing Interests: Conflict of interestThe authors declare no conflict of interest associated with this work., (© King Abdulaziz City for Science and Technology 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.)
- Published
- 2023
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30. Bimetallic RuNi Electrocatalyst Coated MWCNTs Cathode for an Efficient and Stable Li-CO 2 and Li-CO 2 Mars Batteries Performance with Low Overpotential.
- Author
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Naik KM, Chourasia AK, Shavez M, and Sharma CS
- Abstract
Rechargeable lithium-CO
2 (Li-CO2 ) batteries are an attractive energy storage technology that can reduce fossil fuel usage and limit the adverse environmental impact of CO2 emissions. However, the high charge overpotential, unstable cycling, and incomplete understanding of the electrochemical process limit its advancement for practical applications. Herein, we develop a Li-CO2 battery by designing a bimetallic ruthenium-nickel catalyst onto multi-walled carbon nanotubes (RuNi/MWCNTs) catalyst as cathode by solvothermal method, which exhibits a lower overpotential of 1.15 V and a discharge capacity of 15,165 mAh g-1 with outstanding coulombic efficiency of 97.4 %. The battery can also operate at high rates and have a stable cycle of more than 80 cycles at a current density of 200 mA g-1 with a fixed 500 mAh g-1 capacity. Furthermore, Mars exploration is made feasible with the Li-CO2 Mars battery composed of the RuNi/MWCNTs as cathode catalyst, which performs very similarly to that of pure CO2 atmosphere. This approach may simplify the process of developing high-performance Li-CO2 batteries to achieve carbon negativity on Earth and for future interplanetary Mars missions., (© 2023 Wiley-VCH GmbH.)- Published
- 2023
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31. Identification of potential inhibitors of Zika virus targeting NS3 helicase using molecular dynamics simulations and DFT studies.
- Author
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Mishra SS, Kumar N, Karkara BB, Sharma CS, and Kalra S
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- Animals, Humans, Molecular Dynamics Simulation, Molecular Docking Simulation, Viral Nonstructural Proteins, RNA Helicases chemistry, RNA Helicases genetics, RNA Helicases metabolism, Antiviral Agents chemistry, Protease Inhibitors pharmacology, Zika Virus chemistry, Zika Virus metabolism, Zika Virus Infection drug therapy, Zika Virus Infection metabolism
- Abstract
Despite the various research efforts towards the drug discovery program for Zika virus treatment, no antiviral drugs or vaccines have yet been discovered. The spread of the mosquito vector and ZIKV infection exposure is expected to accelerate globally due to continuing global travel. The NS3-Hel is a non-structural protein part and involved in different functions such as polyprotein processing, genome replication, etc. It makes an NS3-Hel protein an attractive target for designing novel drugs for ZIKV treatment. This investigation identifies the novel, potent ZIKV inhibitors by virtual screening and elucidates the binding pattern using molecular docking and molecular dynamics simulation studies. The molecular dynamics simulation results indicate dynamic stability between protein and ligand complexes, and the structures keep significantly unchanged at the binding site during the simulation period. All inhibitors found within the acceptable range having drug-likeness properties. The synthetic feasibility score suggests that all screened inhibitors can be easily synthesizable. Therefore, possible inhibitors obtained from this study can be considered a potential inhibitor for NS3 Hel, and further, it could be provided as a lead for drug development., (© 2022. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)
- Published
- 2023
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32. Biomimetic Micropillar Wick for Enhanced Thin-Film Evaporation.
- Author
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S A and Sharma CS
- Abstract
Sustainable liquid cooling solutions are recognized as the future of thermal management in the chip industry. Among them, phase change heat transfer devices such as heat pipes and vapor chambers have shown tremendous potential. These devices rely on the physics of capillary-driven thin-film evaporation, which is inherently coupled with the design and optimization of the evaporator wicks used in these devices. Here, we introduce a biomimetic evaporator wick design inspired by the peristome of the Nepenthes alata that can achieve significantly enhanced evaporative cooling. It consists of an array of micropillars with multiple wedges along the sidewall of each micropillar. The efficacy of the wedged micropillar is evaluated based on a validated numerical model on the metrics of dryout heat flux and effective heat transfer coefficient. The wedge angle is chosen such that wedged micropillars cause liquid filaments to rise along the micropillar vertical walls. This results in a significant increase in thin-film area for evaporation. Additionally, the large mean curvature of the liquid meniscus produces strong capillary pumping pressure and simultaneously, the wedges increase the overall permeability of the wick. Consequently, our model predicts that the wedged micropillar wick can attain ∼234% enhancement of dryout heat flux compared to a conventional cylindrical micropillar wick of similar geometrical dimensions. Moreover, the wedged micropillars can also attain a higher effective heat transfer coefficient under dryout conditions, thus outperforming the cylindrical micropillar in terms of heat transfer efficiency. Our study provides insight into the design and capability of the biomimetic wedged micropillars as an efficient evaporator wick for various thin-film evaporation applications.
- Published
- 2023
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33. Successful Management of a Rare Manifestation of Intramuscular Venous Malformation in a Young Adult: A Case Report.
- Author
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Sharma CS, Bhandari SN, and Rai M
- Abstract
Venous malformations are the most common type of congenital vascular lesions resulting from abnormal embryonic development of vessels. Typical venous malformations are easily diagnosed by skin color changes, focal edema, or pain as they are mostly present in the skin and subcutaneous tissue. Venous malformations in the skeletal muscles, however, have the potential to be missed because their involved sites are invisible. We describe a 15-year-old patient with extensive intramuscular venous malformations in the lower extremity with special emphasis on diagnosis and treatment., Competing Interests: The authors have declared that no competing interests exist., (Copyright © 2023, Sharma et al.)
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- 2023
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34. Electrospun nanofibres in drug delivery: advances in controlled release strategies.
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Gaydhane MK, Sharma CS, and Majumdar S
- Abstract
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. The inimitable characteristics of electrospun nanofibres in terms of their high surface-to-volume ratio, high porosity, easy drug encapsulation, and programmable release make them an astounding drug-delivery vehicle., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)
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- 2023
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35. Out-of-Plane Biphilic Surface Structuring for Enhanced Capillary-Driven Dropwise Condensation.
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Stendardo L, Milionis A, Kokkoris G, Stamatopoulos C, Sharma CS, Kumar R, Donati M, and Poulikakos D
- Abstract
Rapid and sustained condensate droplet departure from a surface is key toward achieving high heat-transfer rates in condensation, a physical process critical to a broad range of industrial and societal applications. Despite the progress in enhancing condensation heat transfer through inducing its dropwise mode with hydrophobic materials, sophisticated surface engineering methods that can lead to further enhancement of heat transfer are still highly desirable. Here, by employing a three-dimensional, multiphase computational approach, we present an effective out-of-plane biphilic surface topography, which reveals an unexplored capillarity-driven departure mechanism of condensate droplets. This texture consists of biphilic diverging microcavities wherein a matrix of small hydrophilic spots is placed at their bottom, that is, among the pyramid-shaped, superhydrophobic microtextures forming the cavities. We show that an optimal combination of the hydrophilic spots and the angles of the pyramidal structures can achieve high deformational stretching of the droplets, eventually realizing an impressive "slingshot-like" droplet ejection process from the texture. Such a droplet departure mechanism has the potential to reduce the droplet ejection volume and thus enhance the overall condensation efficiency, compared to coalescence-initiated droplet jumping from other state-of-the-art surfaces. Simulations have shown that optimal pyramid-shaped biphilic microstructures can provoke droplet self-ejection at low volumes, up to 56% lower than superhydrophobic straight pillars, revealing a promising new surface microtexture design strategy toward enhancing the condensation heat-transfer efficiency and water harvesting capabilities.
- Published
- 2023
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36. In Situ/Operando Characterization Techniques: The Guiding Tool for the Development of Li-CO 2 Battery.
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Chourasia AK, Pathak AD, Bongu C, Manikandan K, Praneeth S, Naik KM, and Sharma CS
- Abstract
In recent times, the Li-CO
2 battery has gained significant importance arising from its higher gravimetric energy density (1876 Wh kg-1 ) compared to the conventional Li-ion batteries. Also, its ability to utilize the greenhouse gas CO2 to operate an energy storage system and the prospective utilization on extraterrestrial planets such as Mars motivate to practicalize it. However, it suffers from numerous challenges such as (i) the reluctant CO2 reduction/evolution; (ii) solid/liquid/gas interface blockage arising from the deposition of Li2 CO3 discharge product on the cathode; (iii) high overpotential to decompose the stable discharge product Li2 CO3 ; and (iv) instability of the electrolytes. Numerous efforts have been undertaken to tackle these challenges by developing catalysts, improving the stability of electrolytes, protecting the anode, etc. Despite these efforts, due to the lack of a decisive confirmation of the reaction mechanisms of the discharging/charging reactions occurring in the system, the progress of the Li-CO2 battery system has been slow. In situ characterization techniques help overcome ex-situ techniques' limitations by monitoring the processes with the progress of a reaction. The current review focuses on bridging the gap in the understanding of the Li-CO2 batteries by exploring the various in situ/operando characterization techniques that have been employed., (© 2022 Wiley-VCH GmbH.)- Published
- 2022
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37. Flexible and free-standing bacterial cellulose derived cathode host and separator for lithium-sulfur batteries.
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Bharti VK, Pathak AD, Sharma CS, and Khandelwal M
- Subjects
- Electric Power Supplies, Electrodes, Sulfur, Cellulose, Lithium
- Abstract
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
-1 at 1C. It retains a capacity of 310 mAh g-1 even at an ultra-high rate of 4C. To have commercial adoption of CBC@BC, we tested LiS cells with a high areal loading of 5 mg cm-2 . The cell shows promising electrochemical performance for 500 cycles with a capacity retention of 82 %. Furthermore, first-principle calculations are performed to understand the interaction of soluble lithium-polysulfides with bacterial cellulose-derived material., (Copyright © 2022 Elsevier Ltd. All rights reserved.)- Published
- 2022
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38. Ultrathin Durable Organic Hydrophobic Coatings Enhancing Dropwise Condensation Heat Transfer.
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Tripathy A, Regulagadda K, Lam CWE, Donati MA, Milionis A, Sharma CS, Mitridis E, Schutzius TM, and Poulikakos D
- Abstract
Organic hydrophobic layers targeting sustained dropwise condensation are highly desirable but suffer from poor chemical and mechanical stability, combined with low thermal conductivity. The requirement of such layers to remain ultrathin to minimize their inherent thermal resistance competes against durability considerations. Here, we investigate the long-term durability and enhanced heat-transfer performance of perfluorodecanethiol (PFDT) coatings compared to alternative organic coatings, namely, perfluorodecyltriethoxysilane (PFDTS) and perfluorodecyl acrylate (PFDA), the latter fabricated with initiated chemical vapor deposition (iCVD), in condensation heat transfer and under the challenging operating conditions of intense flow (up to 9 m s
-1 ) of superheated steam (111 °C) at high pressures (1.42 bar). We find that the thiol coating clearly outperforms the silane coating in terms of both heat transfer and durability. In addition, despite being only a monolayer, it clearly also outperforms the iCVD-fabricated PFDA coating in terms of durability. Remarkably, the thiol layer exhibited dropwise condensation for at least 63 h (>2× times more than the PFDA coating, which survived for 30 h), without any visible deterioration, showcasing its hydrolytic stability. The cost of thiol functionalization per area was also the lowest as compared to all of the other surface hydrophobic treatments used in this study, thus making it the most efficient option for practical applications on copper substrates.- Published
- 2022
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39. Hypertensive emergency and intracranial bleed following vaccination against SARS-COV-2 virus.
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Gulabani M, Pragya, Saxena AK, and Sharma CS
- Abstract
Competing Interests: There are no conflicts of interest.
- Published
- 2022
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40. Genome-wide association mapping identifies an SNF4 ortholog that impacts biomass and sugar yield in sorghum and sugarcane.
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Upadhyaya HD, Wang L, Prakash CS, Liu Y, Gao L, Meng R, Seetharam K, Gowda CLL, Ganesamurthy K, Singh SK, Kumar R, Li J, and Wang YH
- Subjects
- Biomass, Carbohydrates, Edible Grain genetics, Genome-Wide Association Study, Phenotype, Sugars, Saccharum genetics, Sorghum genetics
- Abstract
Sorghum is a feed/industrial crop in developed countries and a staple food elsewhere in the world. This study evaluated the sorghum mini core collection for days to 50% flowering (DF), biomass, plant height (PH), soluble solid content (SSC), and juice weight (JW), and the sorghum reference set for DF and PH, in 7-12 testing environments. We also performed genome-wide association mapping with 6 094 317 and 265 500 single nucleotide polymorphism markers in the mini core collection and the reference set, respectively. In the mini core panel we identified three quantitative trait loci for DF, two for JW, one for PH, and one for biomass. In the reference set panel we identified another quantitative trait locus for PH on chromosome 6 that was also associated with biomass, DF, JW, and SSC in the mini core panel. Transgenic studies of three genes selected from the locus revealed that Sobic.006G061100 (SbSNF4-2) increased biomass, SSC, JW, and PH when overexpressed in both sorghum and sugarcane, and delayed flowering in transgenic sorghum. SbSNF4-2 encodes a γ subunit of the evolutionarily conserved AMPK/SNF1/SnRK1 heterotrimeric complexes. SbSNF4-2 and its orthologs will be valuable in genetic enhancement of biomass and sugar yield in plants., (© The Author(s) 2022. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.)
- Published
- 2022
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41. A novel design of microfluidic platform for metronomic combinatorial chemotherapy drug screening based on 3D tumor spheroid model.
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Sankar S, Mehta V, Ravi S, Sharma CS, and Rath SN
- Subjects
- Cell Line, Tumor, Drug Evaluation, Preclinical, Humans, Lab-On-A-Chip Devices, Spheroids, Cellular, Lung Neoplasms, Microfluidics
- Abstract
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. This study develops a novel polydimethylsiloxane (PDMS) based microfluidic design with a dynamic environment and strategically placed U-shaped wells for testing all seven possible combinations (three single-drug treatments, three pairwise combinations, treatment with all three drugs) of three chemotherapy drugs (Paclitaxel, Vinorelbine, and Etoposide) on lung tumor spheroids. The design of U-shaped wells has been validated with computational results. Firstly, we test all combinations of drugs on the conventional well plate in static conditions with 3D tumor spheroids. Based on static drug testing results, we show a proof-of-concept by testing the most effective drug combination on the microfluidic device in a dynamic environment. The concentration of the drugs used in combination falls below the maximum tolerated dose (MTD) of the individual drugs, towards low dose metronomic (LDM) chemotherapy. LDM combinatorial chemotherapy identified in this study can potentially lower toxicity and provide better treatment results in cancer patients. The device can be further used to culture patient-specific tumor spheroids and identify synergistic drug combinations for personalized medicine., (© 2021. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)
- Published
- 2021
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42. Ultrathin Lubricant-Infused Vertical Graphene Nanoscaffolds for High-Performance Dropwise Condensation.
- Author
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Tripathy A, Lam CWE, Davila D, Donati M, Milionis A, Sharma CS, and Poulikakos D
- Abstract
Lubricant-infused surfaces (LIS) are highly efficient in repelling water and constitute a very promising family of materials for condensation processes occurring in a broad range of energy applications. However, the performance of LIS in such processes is limited by the inherent thermal resistance imposed by the thickness of the lubricant and supporting surface structure, as well as by the gradual depletion of the lubricant over time. Here, we present an ultrathin (∼70 nm) and conductive LIS architecture, obtained by infusing lubricant into a vertically grown graphene nanoscaffold on copper. The ultrathin nature of the scaffold, combined with the high in-plane thermal conductivity of graphene, drastically minimize earlier limitations, effectively doubling the heat transfer performance compared to a state-of-the-art CuO LIS surface. We show that the effect of the thermal resistance to the heat transfer performance of a LIS surface, although often overlooked, can be so detrimental that a simple nanostructured CuO surface can outperform a CuO LIS surface, despite filmwise condensation on the former. The present vertical graphene LIS is also found to be resistant to lubricant depletion, maintaining stable dropwise condensation for at least 24 h with no significant change of advancing contact angle and contact angle hysteresis. The lubricant consumed by the vertical graphene LIS is 52.6% less than that of the existing state-of-the-art CuO LIS, also making the fabrication process more economical.
- Published
- 2021
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43. Awake Prone Positioning in the Management of COVID-19 Pneumonia: A Systematic Review.
- Author
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Chilkoti GT, Mohta M, Saxena AK, Ahmad Z, and Sharma CS
- Abstract
Background: The aim was to investigate the efficacy of prone positioning (PP) in the management of coronavirus disease-2019 (COVID-19) pneumonia in various setups, with various modes of oxygen therapy and its optimal duration. Materials and methods: A systematic literature search was conducted from inception until May 15, 2021. Patients with a validated diagnosis of COVID-19 and receiving PP were included. Various factors, including intensive care unit (ICU) or non-ICU setup, mode of oxygen therapy, outcome, duration of proning, and limitations, were noted. Results: We retrieved 36 articles with a total of 1,385 patients for qualitative analysis. Out of 36 articles, there were 17 original articles, 09 case series, and 10 case reports. Out of 1,385 participants, 78.9% ( n = 1,093) and 21.0% ( n = 292) of patients were managed in ICU and non-ICU setup, respectively. Awake PP with high flow nasal cannula (HFNC) was found to be a promising technique; however, the result was inconclusive with helmet continuous positive airway pressure (CPAP). No study has evaluated the optimal duration of awake PP and the associated long-term outcomes. Conclusion: We encourage the use of early awake self-proning in the management of COVID19 disease. However, the evidence in terms of its use in non-ICU setup, the optimal duration of PP, and various oxygenation devices are insufficient, thereby mandating further well-designed multicentric studies to evaluate its efficacy as an adjunct in the management of COVID-19 pneumonia in context to the aforementioned factor. How to cite this article: Chilkoti GT, Mohta M, Saxena AK, Ahmad Z, Sharma CS. Awake Prone Positioning in the Management of COVID-19 Pneumonia: A Systematic Review. Indian J Crit Care Med 2021;25(8):896-905., Competing Interests: Source of support: Nil Conflict of interest: None, (Copyright © 2021; Jaypee Brothers Medical Publishers (P) Ltd.)
- Published
- 2021
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44. Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies.
- Author
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Mishra SS, Ranjan S, Sharma CS, Singh HP, Kalra S, and Kumar N
- Subjects
- Density Functional Theory, Humans, Molecular Docking Simulation, SARS-CoV-2, COVID-19, Molecular Dynamics Simulation
- Abstract
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. This led to the identification of five top hit molecules that were selected on the basis of docking score and visualization of non-bonding interactions. The docking results revealed that the hydrogen bonding and hydrophobic interactions are the major contributing factors in the stabilization of complexes. The docking scores were found between -7.524 and -6.711 kcal/mol indicating strong ligand-protein interactions. Amino acid residues Phe140, Leu141, Gly143, Asn142, Thr26, Glu166 and Thr190 (hydrogen bonding interactions) and Phe140, Cys145, Cys44, Met49, Leu167, Pro168, Met165, Val42, Leu27 and Ala191 (hydrophobic interactions) formed the binding pocket of COVID-19 main protease. From identified hits, ZINC13144609 and ZINC01581128 were selected for atomistic MD simulation and density functional theory calculations. MD simulation results confirm that the protein interacting with both hit molecules is stabilized in the chosen POPC lipid bilayer membrane. The presence of lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) in the hydrophobic region of the hit molecules leads to favorable ligand-protein contacts. The calculated pharmacokinetic descriptors were found to be in their acceptable range and therefore confirming their drug-like properties. Hence, the present investigation can serve as the basis for designing and developing COVID-19 inhibitors. Communicated by Ramaswamy H. Sarma.
- Published
- 2021
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45. Decreased biofilm formation by planktonic cells of Listeria monocytogenes in the presence of sodium hypochlorite.
- Author
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Bansal M, Dhowlaghar N, Nannapaneni R, Kode D, Chang S, Sharma CS, McDaniel C, and Kiess A
- Subjects
- Listeria monocytogenes growth & development, Plankton drug effects, Plankton growth & development, Biofilms drug effects, Disinfectants pharmacology, Listeria monocytogenes drug effects, Sodium Hypochlorite pharmacology
- Abstract
The objective of this study was to determine if the adaptation at planktonic stage to subinhibitory concentrations (SIC) of sodium hypochlorite (NaOCl) could modulate the biofilm forming ability of five Listeria monocytogenes strains V7, Scott A, FSL-N1-227, FSL F6-154 and ATCC 19116 representing serotypes 1/2a, 4b and 4c. Biofilm formation by NaOCl nonadapted and adapted L. monocytogenes planktonic cells was measured in the presence or absence of SIC of NaOCl. The biofilm formation ability of NaOCl nonadapted and adapted L. monocyotgenes planktonic cells was reduced only in the presence of NaOCl (P < 0.05). Scanning electron microscopy revealed that the continuous exposure of NaOCl induced morphological changes in the L. monocytogenes biofilm structure and reduced its attachment to polystyrene surface. The qRT-PCR results also showed that the subinhibitory NaOCl reduced biofilm formation related gene expression such as motility and quorum sensing signals (P < 0.05). These findings indicate that subinhibitory NaOCl can reduce the ability of L. monocytogenes planktonic cells to form biofilms on polystyrene surface., (Copyright © 2020 Elsevier Ltd. All rights reserved.)
- Published
- 2021
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46. Low-Level Tolerance to Fluoroquinolone Antibiotic Ciprofloxacin in QAC-Adapted Subpopulations of Listeria monocytogenes .
- Author
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Kode D, Nannapaneni R, Bansal M, Chang S, Cheng WH, Sharma CS, and Kiess A
- Abstract
There was a development of low-level tolerance to fluoroquinolone antibiotic ciprofloxacin in Listeria monocytogenes after sublethal adaptation to quaternary ammonium compound (QAC). Using eight L. monocytogenes strains, we determined the changes in short-range MIC, growth rate, and survival for heterologous stress response to ciprofloxacin, after sublethal exposure to daily cycles of fixed or gradually increasing concentration of QAC. Three main findings were observed. (1) MIC increase-QAC-adapted subpopulations exhibited a significant increase in short-range MIC of ciprofloxacin, by 1.5 to 2.9 fold, as compared to non-adapted control for 4/8 strains ( p < 0.05). (2) Growth rate increase-QAC-adapted subpopulations exhibited significant 2.1- to 6.8- fold increase in growth rate (OD
600 at 10 h) in ciprofloxacin-containing broth, as compared to non-adapted control for 5/8 strains ( p < 0.05). (3) Survival increase-QAC-adapted subpopulations of L. monocytogenes yielded significantly higher survival in ciprofloxacin-containing agar by 2.2 to 4.3 log CFU/mL for 4/8 strains, as compared to non-adapted control ( p ˂ 0.05). However, for other 4/8 strains of L. monocytogenes , there was no increase in survival of QAC-adapted subpopulations, as compared to non-adapted control in ciprofloxacin. These findings suggest the potential formation of low-level ciprofloxacin-tolerant subpopulations in some L. monocytogenes strains when exposed to residual QAC concentrations (where QAC might be used widely) and such cells if not inactivated might create food safety risk.- Published
- 2021
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47. Molecular Insights of 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole as CRF-1 Receptor Antagonists: Combined QSAR, Glide Docking, Molecular Dynamics, and In-silico ADME Studies.
- Author
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Kumar S, Kumar N, Sharma CS, and Mishra SS
- Abstract
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. The best 2D QSAR model was obtained through the MLR method with an r
2 value of 0.8039 and a q2 value of 0.6311. Also,a 3D QSAR model was generated through the KNN MFA method with a q2 value of 0.6013 and a q2 _se value of 0.3167. Further, docking analysis revealed that residue Glu196 and Lys334 were involved in hydrogen bonding and Trp9 in Π- Π stacking. Simulation analysis proves that target protein interactions with ligands were stable, and changes were acceptable for small and globular proteins. Compound B18 , a benzimidazole derivative, has an excellent binding affinity towards CRF-1 protein compared to reference molecules; hence, this compound could be a potential drug candidate for stress-dependent disorders. Based on findings, 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole derivatives could be a novel class of corticotropin-releasing factor 1 receptor antagonists for stress-related disorders. All benzimidazole derivatives were found to be within the acceptable range of physicochemical properties. Hence, these observations could provide valuable information for the design and development of novel and potent CRF-1 receptor antagonists.- Published
- 2021
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48. Mitigating losses: how scientific organisations can help address the impact of the COVID-19 pandemic on early-career researchers.
- Author
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López-Vergès S, Urbani B, Fernández Rivas D, Kaur-Ghumaan S, Coussens AK, Moronta-Barrios F, Bhattarai S, Niamir L, Siciliano V, Molnar A, Weltman A, Dhimal M, Arya SS, Cloete KJ, Awan AT, Kohler S, Sharma CS, Rios Rojas C, Shimpuku Y, Ganle J, Matin MM, Nzweundji JG, Badre A, and Carmona-Mora P
- Abstract
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. These interactions have benefited primarily the disciplines of knowledge that are directly informing the pandemic response, while other scientific fields have been relegated. The effects of the COVID-19 pandemic on scientists of all disciplines and from all world regions are discussed here, with a focus on early-career researchers (ECRs), as a vulnerable population in the research system. Young academies and ECR-driven organisations could suggest ECR-powered solutions and actions that could have the potential to mitigate these effects on ECRs working on disciplines not related to the pandemic response. In relation with governments and other scientific organisations, they can have an impact on strengthening and creating fairer scientific systems for ECRs at the national, regional, and global level., Competing Interests: Competing interestsWhile the authors are members or alumni of the GYA, the GYA office staff or GYA funders did not influence the content and discussion presented in this article. The authors declare no competing interests., (© The Author(s) 2021, corrected publication 2021.)
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- 2021
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49. Correction: Mitigating losses: how scientific organisations can help address the impact of the COVID-19 pandemic on early-career researchers.
- Author
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López-Vergès S, Urbani B, Fernández Rivas D, Kaur-Ghumaan S, Coussens AK, Moronta-Barrios F, Bhattarai S, Niamir L, Siciliano V, Molnar A, Weltman A, Dhimal M, Arya SS, Cloete KJ, Awan AT, Kohler S, Sharma CS, Rios Rojas C, Shimpuku Y, Ganle J, Matin MM, Nzweundji JG, Badre A, and Carmona-Mora P
- Abstract
[This corrects the article DOI: 10.1057/s41599-021-00944-1.]., (© The Author(s) 2021.)
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- 2021
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50. Electrospun freestanding hydrophobic fabric as a potential polymer semi-permeable membrane for islet encapsulation.
- Author
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Ruhela A, Kasinathan GN, Rath SN, Sasikala M, and Sharma CS
- Subjects
- Hydrophobic and Hydrophilic Interactions, Polymers, Textiles, Wettability, Nanofibers
- Abstract
One of the significant problems associated with islet encapsulation for type 1 diabetes treatment is the loss of islet functionality or cell death after transplantation because of the unfavorable environment for the cells. In this work, we propose a simple strategy to fabricate electrospun membranes that will provide a favorable environment for proper islet function and also a desirable pore size to cease cellular infiltration, protecting the encapsulated islet from immune cells. By electrospinning the wettability of three different biocompatible polymers: cellulose acetate (CA), polyethersulfone (PES), and polytetrafluoroethylene (PTFE) was greatly modified. The contact angle of electrospun CA, PES, and PTFE increased to 136°, 126°, and 155° as compared to 55°, 71°, and 128° respectively as a thin film, making the electrospun membranes hydrophobic. Commercial porous membranes of PES and PTFE show a contact angle of 30° and 118°, respectively, confirming the hydrophobicity of electrospun membranes is due to the surface morphology induced by electrospinning. In- vivo results confirm that the induced hydrophobicity and surface morphology of electrospun membranes impede cell attachment, which would help in maintaining the 3D circular morphology of islet cell. More importantly, the pore size of 0.3-0.6 μm obtained due to the densely packed structure of nanofibers, will be able to restrict immune cells but would allow free movement of molecules like insulin and glucose. Therefore, electrospun polymer fibrous membranes as fabricated in this work, with hydrophobic and porous properties, make a strong case for successful islet encapsulation., (Copyright © 2020 Elsevier B.V. All rights reserved.)
- Published
- 2021
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- View/download PDF
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