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This study aimed to assess the chemical composition and pesticidal activities of essential oils (EOs) from Cautleya spicata rhizomes and aerial parts. The EOs were assessed against root-knot nematodes (Meloidogyne incognita) by mortality and hatchability bioassays and the phytotoxicity of the EOs was determined against Raphanus raphanistrum subspp. Sativus (radish) and Cichorium intybus (chicory) seeds. In-silico screening of the primary constituents of EOs and five chosen target proteins of the nematode was conducted to predict the expected mechanism of action of these oils. p-Cymene and β-pinene were the key compounds in the EOs from the rhizomes and aerial parts. The EO from the aerial parts (LC50 value = 0.555 µL/mL for nematode mortality assay and IC50 value = 0.016 µL/mL for nematode egg hatchability after 96 h) exhibited significantly higher nematicidal activity than the rhizome EO. However, rhizome EO showed higher phytotoxic activity against radish (R. raphanistrum) with lower IC50 values (0.157 and 0.123 µL/mL for RLI and SLI, respectively) and chicory (C. intybus) seeds (100% inhibition at 1.0 µL/mL concentration). Docking studies revealed the strongest inhibitory actions of β-selinene against acetylcholinesterase (AChE) and cytochrome c oxidase (CytC), spathulenol against glutathione S-transferase (GST-1), and β-eudesmol against heat shock protein 90 (HSP90) and odorant response gene-3 (ODR3) proteins. The study unveiled the chemical diversity present in both the EOs and rhizomes of C. spicata along with their considerable potential as plant-based pesticidal agents effective against nematodes and weed species.

Abstract COVID-19 appeared as a highly contagious disease after its outbreak in December 2019 by the virus, named SARS-CoV-2. The threat, which originated in Wuhan, China, swiftly became an international emergency. Among different genomic products, spike protein of virus plays a crucial role in the initiation of the infection by binding to the human lung cells, therefore, SARS-CoV-2’s spike protein is a promising therapeutic target. Using a combination of a structure-based virtual screening and biochemical assay, this study seeks possible therapeutic candidates that specifically target the viral spike protein. A database of ~ 850 naturally derived compounds was screened against SARS-CoV-2 spike protein to find natural inhibitors. Using virtual screening and inhibitory experiments, we identified acetyl 11-keto-boswellic acid (AKBA) as a promising molecule for spike protein, which encouraged us to scan the rest of AKBA derivatives in our in-house database via 2D-similarity searching. Later 19 compounds with > 85% similarity with AKBA were selected and docked with receptor binding domain (RBD) of spike protein. Those hits declared significant interactions at the RBD interface, best possess and excellent drug-likeness and pharmacokinetics properties with high gastrointestinal absorption (GIA) without toxicity and allergenicity. Our in-silico observations were eventually validated by in vitro bioassay, interestingly, 10 compounds (A3, A4, C3, C6A, C6B, C6C, C6E, C6H, C6I, and C6J) displayed significant inhibitory ability with good percent inhibition (range: > 72–90). The compounds C3 (90.00%), C6E (91.00%), C6C (87.20%), and C6D (86.23%) demonstrated excellent anti-SARS CoV-2 spike protein activities. The docking interaction of high percent inhibition of inhibitor compounds C3 and C6E was confirmed by MD Simulation. In the molecular dynamics simulation, we observed the stable dynamics of spike protein inhibitor complexes and the influence of inhibitor binding on the protein’s conformational arrangements. The binding free energy ΔGTOTAL of C3 (−38.0 ± 0.08 kcal/mol) and C6E (−41.98 ± 0.08 kcal/mol) respectively indicate a strong binding affinity to Spike protein active pocket. These findings demonstrate that these molecules particularly inhibit the function of spike protein and, therefore have the potential to be evaluated as drug candidates against SARS-CoV-2.

In this study, we examine the performance of a multicell cellular system featuring an Non-orthogonal multiple access (NOMA) - In-band full duplex transmission (IBFD) enabled base station to improve spectral efficiency. The simultaneous transmission of multiple signals on the same frequency resource introduces several interferences and necessitates higher transmission powers to meet user’s quality of service (QoS) requirements. To address this, we introduce a heuristic approach aimed at optimizing subcarrier and power allocation with the goal of minimizing required downlink powers while ensuring QoS for each user. We also present decodability order for downlink (DL) NOMA in the presence of uplink users. Subsequently, we extend our investigation at sector level to obtain a comprehensive understanding of network dynamics within a more confined coverage area. We use orthogonal resource allocation and half duplex scenarios as benchmarks to evaluate the performance of proposed algorithm. Numerical simulations reveal that NOMA-IBFD requires lower transmit powers to meet QoS compared to the orthogonal multiple access (OMA) system, despite having more interference terms. Our key findings emphasize that the proposed algorithm not only enables users with weaker channel conditions to meet QoS requirements but also allows users with stronger channel conditions to contribute significantly to system throughput enhancement, thereby providing enhanced energy efficiency.

One of the work items in fifth generation (5G) radio layer 1 (RAN1) in the Release-18 third-generation partnership project (3GPP) standardization activity concerns sounding reference signal (SRS) enhancements to deal with interference management in time-division duplex (TDD) coherent joint transmission (CJT) for multiple transmission reception points (multiple TRPs or mTRP). The work item proposed to study two approaches: 1) interference randomization techniques (IRT) and 2) capacity enhancements (CE) of SRS. This paper discusses this work item in detail along with the authors’ contributions to it. This paper can be broadly divided into three parts. In the first part, we provide an overview of the various techniques discussed by different companies in the standards. In the second part, we present our contribution of a novel SRS receiver with enhanced SRS capacity. We show how our improved SRS receiver allows the transmission of six SRSs over 12 subcarriers, which results in better performance (greater than 5 dB gain) than a conventional SRS receiver that supports only four SRSs over 12 subcarriers, as per the existing 3GPP standard. Capacity improvement is achieved by enabling closer placement of the SRS in the cyclic shift (CS) domain, which depends on leakage. Conventional SRS receivers are based on discrete Fourier transform (DFT), which have more leakages than the proposed Slepian-based SRS receiver, which has fewer leakages. We analysed in detail the effects of both DFT and Slepian on leakages in the CS domain. This capacity and/or performance improvement allows more user equipments (UEs) to simultaneously transmit SRS, allowing lower uplink transmission power to attain the same performance as conventional SRS receivers, thereby improving coverage. We investigate the changes that need to be implemented in existing standards to support such receivers, which can achieve an enhanced SRS capacity. In the third part, we present three novel enhancement techniques, that we proposed, namely, per-port cyclic shift (PP-CS) allocation scheme, CS hopping in a subset and muting of SRS transmission. CS hopping in a subset was accepted in 5G RAN1 Release-18 3GPP standardization activity as a means of reducing interference in TDD CJT for mTRP. In the section on simulation results in this paper, we show that there is a distinct improvement in performance (compared to existing legacy systems) when CS hopping is employed. This is because, in the CS domain, as the CS associated with a user hops across orthogonal frequency-division multiplexing (OFDM) symbols, it has different neighbouring users in different symbols and leakages due to these neighbours get reduced as the channel estimates are averaged over different OFDM symbols. We demonstrate that it is possible to mitigate almost all interference and reach the zero-interference lower bound of a single TRP (sTRP) case with a combination of PP-CS, CS hopping in a subset, and muting of SRS transmission. The key idea is to recognize that the extra propagation distance (EPD) of UEs from other TRPs results in higher frequency selectivity in the channel. To address this, we designed efficient SRS CS resource-allocation strategies.

Coleus aromaticus Benth. (Family: Lamiaceae) is a huge perennial, aromatic and succulent herb native to the Indian subcontinent. The dried leaves have an oregano-like texture making them a perfect culinary food supplement to be used as herbal seasoning for meat and other food products. The present study aimed to identify the bioactive components in the essential oil collected from the fresh aerial parts of Coleus aromaticus Benth. Using GC/MS analysis, 12 terpenoid components were identified, accounting for 97.5% of the overall oil content. Thymol (69.6%), p-cymene (3.9%), (E)-caryophyllene (3.7%), carvacrol (3.2%), α-thujene (3.2%), γ-terpinene (2.9%), and carvacrol methyl ether (2.3%) were identified to be the primary constituents in the oil, which was determined to be dominated by oxygenated monoterpenes (72.8%). Additionally, at the highest dose, CAEO showed significant pesticidal activity, inhibiting the egg hatchability of Meloidogyne incognita by 96.9%, immobilizing it by 52.3%, insecticidal activity on Spodoptera litura by 71.13%, and phytotoxic activity on Raphanus raphanistrum seeds by 97.75%. For speculating the potential method of action of CAEO components, the proteins/enzymes namely acetylcholinesterase (PDB ID: 6XYS), carboxylesterase (PDB ID: 5IVH), and acetohydroxyacid synthase (PBD ID: 1YHZ) were employed. The novel aspect of this study was that the herbal spice material was collected during its vegetative stage from the Tarai region of Pantnagar (India) in order to bio-evaluate its nematicidal, herbicidal, and insecticidal effectiveness. It was found that CAEO is an effective alternative source of natural pesticides and opens the way for additional research on its mechanistic techniques and field tests to determine its pesticidal studies.

Abstract Objective: The study examined resources needed by Infection Preventionists (IP) to address infection prevention and control (IPC) program gaps. Design: A 49-question survey. Setting: Licensed Critical Access Hospitals (CAHs) in Federal Emergency Management Area (FEMA) Region VII. Participants: IP at licensed CAHs. Methods: The survey conducted between December 2020 and January 2021 consisted of questions focusing on four categories including IPC program infrastructure, competency-based training, audit and feedback, and identification of high-risk pathogens/serious communicable diseases (HRP/SCD). An IPC score was calculated for each facility by totaling “Yes” responses (which indicate best practices) to 49 main survey questions. Follow-up questions explored the resources needed by the CAHs to implement or further strengthen best practices and mitigate IPC practice gaps. Welch t-test was used to study differences in IPC practice scores between states. Results: 50 of 259 (19.3%) CAHs participated in the survey with 37 (14.3%) answering all 49 questions. CAHs responding to all questions had a median IPC score of 35. There was no significant difference between IPC practice scores of CAHs in NE and IA. The top three IPC gaps were absence of drug diversion program (77%), lack of audits and feedback for insertion and maintenance of central venous catheters (76%), and missing laboratory risk assessments to identify tests that can be offered safely for patients under investigation for HRP/SCD (76%). Standardized audit tools, educational resources, and staff training materials were cited as much-needed resources. Conclusion: IPC practice gaps exist in CAHs. Various resources are needed for gap mitigation.

Abstract Background Sheath blight of rice caused by Rhizoctonia solani is one of the most important diseases worldwide, causing considerable yield losses. The estimation of losses due to sheath blight of rice in India has been reported to be up to 54.30%. As a consequence of this fact, eco-friendly approaches were explored in this investigation. Results The pathogen R. solani was isolated from the infected sheath of rice plant, which was identified and characterized on the basis of morphology and through molecular Sequencing. The sequences of ITS were submitted to NCBI GenBank and the accession number allotted is SUB11543577. In dual culture best two potential isolates of biocontrol agents were selected Pseudomonas fluorescens (Pf27) and Trichoderma harzianum (Th47). Their different combinations with Herbal Kunapajala (HKJ) were tested in glasshouse, experimental field and farmers’ fields against sheath blight pathogen R. solani. The maximum plant vigor index was found in treatment combination P. fluorescens (27) + T. harzanium (47) + Herbal Kunapajala, seed treatment, soil drenching and three foliar applications. Minimum disease severity and incidence at 30 days after sowing (DAS) and 60DAS, maximum Phenylalanine Ammonia Lyase Activity (PAL), Polyphenol Oxidase Activity (PPO) and Peroxidase Activity (PO) were also recorded in the same treatment. In field experiment the maximum population of biocontrol agents after 60 days of transplanting cfu/g soil for Trichoderma spp. (32.33 × 104) and Pseudomonas spp. (36.33 × 104) in rhizosphere and in rhizoplane. Maximum cfu/g soil for Trichoderma spp. (24.67 × 104) and Pseudomonas spp. (24.0 × 104) was observed in treatment Th + Pf + HKJ [seed treatment + soil drenching + foliar spray]. At experimental and farmers field minimum disease severity, disease incidence at 60 DAT was recorded in treatment Th + Pf + HKJ [seed treatment + soil drenching + foliar spray] and was at par with the chemical treatment Carbendazim, but the maximum yield was obtained in the treatment Th + PF + HKJ [seed treatment + soil drenching + foliar spray] due to the maximum growth promotion activity. Conclusions Among various treatment seed treatment, soil drenching and three foliar sprays with combination T. harzianum (47), P. fluorescens (27) and Herbal Kunapajala was found very effective in reducing the disease incidence, disease severity and increasing growth promotion activity at all conditions. Therefore, the recommendation of this investigation could be exploited under bio-intensive disease management program for sustainable cultivation of rice.

In this work, a joint quadrature for numerical solution of the double integral is presented. This method is based on combining two rules of the same precision level to form a higher level of precision. Numerical results of the present method with a lower level of precision are presented and compared with those performed by the existing high-precision Gauss-Legendre five-point rule in two variables, which has the same functional evaluation. The efficiency of the proposed method is justified with numerical examples. From an application point of view, the determination of the center of gravity is a special consideration for the present scheme. Convergence analysis is demonstrated to validate the current method.

The present article illustrates an attempt to design and test the reproducibility of low-cost patient positioning devices prepared in-house in the radiotherapy department. A rigid wood-polymer composite material stands with angulations, scales, and support was designed as a new method for immobilization of the mobile target using a thermoplastic mask and a carbon fiber base plate. The lower mobile target, i.e., the penis of a patient, was immobilized by this method. A computed tomography simulation was performed for the patient. This device fit was suitable, comfortable, and had good reproducibility and repeatability, which was proven in daily radiotherapy. Reproducibility and accuracy were tested by serial electronic portal imaging detectors. The positioning devices showed variations within 2-3 mm on consecutive treatment days which were within acceptable limits. It is therefore concluded that low-cost patient positioning devices for the mobile target can be fabricated from available materials in-house. With the help of these in-house available materials, we can also fabricate other types of immobilization devices for particular techniques. It is considerably cheaper than commercially available products.

Abstract The present study aimed to identify the bioactive constituents in the chloroform extract of H. spicatum rhizomes (HS-RCLE), further evaluated for its in-vitro pesticidal activities validating via molecular docking techniques. GC/MS analysis of HS-RCLE identified 14 compounds contributing 84.1 % of the total composition. The extract was dominated by oxygenated sesquiterpenes (43.1 %) with curcumenone (25.2 %) and coronarin E (14.8 %) as the major compounds. The extract recorded 89.4 % egg hatchability inhibition and 82.6 % immobility of Meloidogyne incognita, 66.7 % insecticidal activity on Spodoptera litura, 100 % phytotoxic activity on Raphanus raphanistrum seeds, and 74.7 % anti-fungal activity on Curvularia lunata at the respective highest dose studied. The biological activities were furthermore validated by using docking studies on certain proteins/enzymes namely acetylcholinesterase (PBD ID: IC2O), carboxylesterase (PDB ID: 1CI8), acetohydroxyacid synthase (PBD ID: 1YHZ) and trihydroxy naphthalene reductase (PBD ID: 3HNR). The bioactivity of the major constituents of the extract was predicted with the help of in silico PASS studies. HS-RCLE was observed to be a viable alternative source of natural pesticidal agents and paves the way for further studies on its mechanistic approaches and field trials to ascertain its pesticidal studies.

1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU) has received a significant importance in organic synthesis during recent years because of its interesting ability to catalyze organic reaction sufficiently at mild conditions. DBU can work as a catalyst under simple conditions inducing the operational simplicity of the experimental procedures by reducing the side products and waste. The notable advantages in these cases include the less expensive catalyst which is commercially readily available, easy to handle, and most importantly recoverable. The DBU as a catalyst has been explored for several practical methodologies and is highly useful for the synthesis of a wide variety of organic materials. The selectivity (chemo-, regio-, and stereo-) of these reactions is highly impressive and applicable in modern chemical transformations. The DBU possesses enhanced basic properties and high mechanical as well as thermal stability. In recent years, a large number of organic transformations have been carried out using DBU as a catalyst. The DBU has successfully been employed to conduct a wide variety of organic reactions including usual chemical modifications, cyclizations, eliminations, esterifications, condensation reactions, multicomponent reactions, etc. In fact, during last few decades, a tremendous interest has sparked in various organic transformations promoted by DBU and a large number of publications have appeared in the literature. Since chemical transformations catalyzed by DBU have recently been proven to be highly important in organic synthesis we review in this article the recently appeared significant protocols using DBU as a catalyst.

Since the birth of civilization, people have recognized that infectious microbes cause serious and often fatal diseases in humans. One of the most dangerous characteristics of microorganisms is their propensity to form biofilms. It is linked to the development of long-lasting infections and more severe illness. An obstacle to eliminating such intricate structures is their resistance to the drugs now utilized in clinical practice (biofilms). Finding new compounds with anti-biofilm effect is, thus, essential. Infections caused by bacterial biofilms are something that nanotechnology has lately shown promise in treating. More and more studies are being conducted to determine whether nanoparticles (NPs) are useful in the fight against bacterial infections. While there have been a small number of clinical trials, there have been several in vitro outcomes examining the effects of antimicrobial NPs. Nanotechnology provides secure delivery platforms for targeted treatments to combat the wide range of microbial infections caused by biofilms. The increase in pharmaceuticals’ bioactive potential is one of the many ways in which nanotechnology has been applied to drug delivery. The current research details the utilization of several nanoparticles in the targeted medication delivery strategy for managing microbial biofilms, including metal and metal oxide nanoparticles, liposomes, micro-, and nanoemulsions, solid lipid nanoparticles, and polymeric nanoparticles. Our understanding of how these nanosystems aid in the fight against biofilms has been expanded through their use.

Phenols are prominent in organic reactions and highly significant biologically active substances. We report a versatile and sustainable CuI-catalyzed protocol for their synthesis through an oxidative ipso-functionalization (hydroxy deborylation) strategy of (hetero)arylboronic acids [(H)ABAs] using the water extract of pomegranate peel ash (WEPA) in open-air. They are formed at room temperature (RT). This process shows high significance toward the environmental sustainability over the reported procedures of ipso-hydroxylation of (H)ABAs. The application of a waste-derived biorenewable basic reaction medium, air as an oxidant, wide substrate scope, high functional group tolerance, reusability of the catalyst, ambient conditions, less expensive and safer catalyst with low loading, aqueous medium, avoidance of volatile organic solvents, and external oxidant, and tremendous further scope are the noteworthy features of this protocol.

It is crucial to increase agricultural yields to fulfill the rising demand for food and the security it provides for a growing population. To protect human food supplies and agricultural outputs, disease management is essential. Plant infections are a silent enemy of economic crop production and cross-border commerce of agricultural goods, inflicting roughly 20–30% losses a year. If infections are accurately and rapidly detected and identified, this can be minimized, and specialized treatment can be given. The current methods of preventing plant diseases are utterly dependent on agrochemicals, which have adverse effects on the ecosystem. By improving their solubility, lengthening their shelf life, and lowering their toxicity, nanotechnology can help reduce the harmful effects of pesticides and fungicides in a sustainable and environmentally responsible way. Engineered nanoparticles can be used to control plant diseases either by using the nanoparticle itself or as a carrier for fungicides and antibiotics. Regardless of the many prospective benefits of using nanoparticles, few nanoparticle-based products have been made commercially available for use in more widespread applications. For rapid and accurate spotting of plant diseases, the combination of nanotechnology systems with molecular diagnostics acts as an alternative where the detection may be taken in on a portable miniaturized appliance. By minimizing the application of chemicals and adopting quick identification of infections, nanotechnology might sustainably minimize many issues in disease control. This review outlines the tools and techniques used in the diagnosis of plant diseases and their management and explains how nanotechnology works, along with the current tools and their prospects for the future of plant protection.

The objective of the current study was to evaluate the altitudinal variability in chemical compounds, nematicidal, insecticidal, herbicidal, and antifungal activity of the essential oils of H. coronarium collected from four different habitats of Tarai and Kumaun region of Uttarakhand. Essential oils were hydro-distilled from rhizomes of H. coronarium, and their yield varied from 0.05 to 0.25% (v/w). Based on GC-MS analysis, the major compounds observed were 1, 8-cineole (12.21–18.27%), coronarin E (10.20–14%), α-terpineol (5.32–10.13%), terpinen-4-ol (2.20–4.67%), α-pinene (4.90–8.77%), Z-caryophyllene (4.67–12.29%), and linalool (1.96–4.62%). To visually observe the variation in the oil composition profile of essential oils, heat map clustering, Venn diagram, and principal component analysis (PCA) were performed. To evaluate the pesticidal properties, the essential oils were tested under laboratory conditions. Additionally, significant nematicidal activity was demonstrated by essential oils against Meloidogyne incognita, good insecticidal activity against Spodoptera litura, and moderate herbicidal activity on Raphanus raphanistrum subsp. sativus, and effective antifungal activity against Fusarium oxysporum and Curvularia lunata was observed in the current investigation.

Highlights The CuO/GO nanocomposite has been prepared using two selected precursors of copper nitrate and citric acid with an intermittent mixing of GO solutions. CuO nanoparticles decoration on GO sheets to coincide the enrichment of activity and stability from their cooperation. CuO/GO nanocomposite has appreciable activity towards pathogenic bacteria, free radicals, and cancer cell lines. The as-prepared nanocomposite is proposed as a novel nanomaterial for theranostic activities bearing both therapeutic attributes along with diagnostic nature in the biological domain and healthcare.

In the current investigation, 5-epi-incensole (3) and 5-epi-incensole acetate (5) were synthesized from the most potent anti-depressant constituents incensole (1) and incensole acetate (2) of Boswellia papyrifera Hochst. The resulting compounds were evaluated for their ability to ameliorate depressive symptoms in forced swim test (FST) and tail suspension test (TST) in chronic unpredictable mild stress (CUMS) induced depression paradigm. The results demonstrated that compounds 3 and 5 at the doses of 1 and 3 mg/kg administered for 28 days, significantly reduced the immobility time in FST and TST and were devoid of any effect on locomotor activity in the open field test (OFT). Both compounds 3 and 5 also reversed CUMS-induced reduction in the weight of animals and aversion in sucrose preference. The tested compounds also inhibited Monoamine oxidase-A (MAO) enzyme and increased the levels of brain noradrenaline (NA) and 5-Hydroxytryptamine (5-HT), decreased plasma corticosterone and pro-inflammatory cytokines including TNF-α, IL-6 in hippocampal homogenates. Compounds 3 and 5 also significantly reduced the increased lipid peroxidation and nitrite levels; decreased glutathione levels, and catalase activities in mice undergoing CUMS protocol. The binding mode of compounds 3 and 5 was predicted at the monoamine oxidase substrate binding site by molecular docking having docking scores of > −6 kcal/mol. Taken together these data revealed that compounds 3 and 5 exerted antidepressant-like effects in chronic unpredictable mild stress-induced depression paradigm and are likely mediated via modulating the central oxidative stress, MAO-A activity with a consequent increase in brain NA and 5-HT levels in inflammatory pathways.

Herein, a series of novel 1H-1,2,3-triazole and carboxylate derivatives of metronidazole (5a–i and 7a–e) were synthesized and evaluated for their antimicrobial activity in vitro. All the newly synthesized compounds were characterized by 1H NMR, 13C NMR, HRMS, and 19F NMR (5b, 5c and 5h) spectroscopy wherever applicable. The structures of compounds 3, 5c and 7b were unambiguously confirmed by single crystal X-ray analysis diffraction method. Single crystal X-ray structure analysis supported the formation of the metronidazole derivatives. The antimicrobial (antifungal and antibacterial) activity of the prepared compounds was studied. All compounds (except 2 and 3) showed a potent inhibition rate of fungal growth as compared to control and metronidazole. The synthetic compounds also showed higher bacterial growth inhibiting effects compared to the activity of the parent compound. Amongst the tested compounds 5b, 5c, 5e, 7b and 7e displayed excellent potent antimicrobial activity. The current study has demonstrated the usefulness of the 1H-1,2,3-triazole moiety in the metronidazole skeleton.

Background: Ankle ligament injuries in the sports like basketball, volleyball, and cricket are the most common reasons for missed participation in athletics, accounting for 14% of all sports injuries. These injuries may often require splinting and rest for a longer duration, leading to a permanently reduced level of sports performance. The autologous conditioned cytokine-rich serum (ACRS) is becoming a reliable treatment option in acute ankle injuries as it enhances biological healing. The objective of this study is to evaluate the role of ACRS in acute ankle injuries and report the efficacy of ACRS injections on time to return to physical activities. Methods: 42 patients with clinical and radiological signs of ankle ligamentous injuries (grades 1 and 2) secondary to sporting or gaming activity were recruited for this study. Each patient received one injection of ACRS at the injury site and was put on a soft cast for one week. Clinical and functional evaluation was performed using the Visual Analogue Scale (VAS), American Orthopaedic Foot and Ankle Society (AOFAS) Ankle-Hindfoot Scale, and the Foot and Ankle Disability Index (FADI) scores before the injection, at one week, i.e., after removing the soft cast, three weeks, six weeks, and three months. Results: Our study showed gradual improvement of all the evaluation scales at all the follow-ups. Few patients showed minor side effects like aseptic effusion. The least common complaint was a pain in the subsequent days after the injection. Conclusion: Our results, in conjunction with pre-existing studies in the literature regarding the biological effects of ACRS, demonstrate the viability of this therapy for the treatment of acute ankle injuries, showing the positive influence on pain and healing capacity and returning to gaming activities immediately in about two weeks without significant adverse effects.

A series of 1H-1,2,3-triazole analogs (7a–7d and 9a–9s) were synthesized via “click” chemistry and evaluated for in vitro carbonic anhydrase-II (bovine and human) inhibitory activity. The synthesis of intermediates, 7a and 7c, was achieved by using (S)-(-)ethyl lactate as a starting material. These compounds (7a and 7c) underwent Suzuki–Miyaura cross-coupling reaction with different arylboronic acids in 1,4-dioxane, reflux at 90–120°C for 8 h using Pd(PPh3)4 as a catalyst (5 mol%), and K2CO3 (3.0 equiv)/K2PO4 (3.0 equiv) as a base to produce target 1H-1,2,3-triazole molecules (9a–9s) for a good yield of 67–86%. All the synthesized compounds were characterized through NMR spectroscopic techniques. Furthermore, all those compounds have shown significant inhibitory potential for both sources of carbonic anhydrase-II (CA-II). In the case of bCA-II, compounds 9i, 7d, 9h, 9o, 9g, and 9e showed potent activity with IC50 values in the range of 11.1–17.8 µM. Whereas for hCA-II, compounds 9i, 9c, 9o, and 9j showed great potential with IC50 values in the range of 10.9–18.5 µM. The preliminary structure–activity relationship indicates that the presence of the 1H-1,2,3-triazole moiety in those synthesized 1H-1,2,3-triazole analogs (7a–7d and 9a–9s) significantly contributes to the overall activity. However, several substitutions on this scaffold affect the activity to several folds. The selectivity index showed that compounds 9c, 9k, and 9p are selective inhibitors of hCA-II. Kinetics studies showed that these compounds inhibited both enzymes (bCA-II and hCA-II) in a competitive manner. Molecular docking indicates that all the active compounds fit well in the active site of CA-II. This study has explored the role of 1H-1,2,3-triazole-containing compounds in the inhibition of CA-II to combat CA-II-related disorders.

An efficient total synthesis of the naturally occurring anti-inflammatory and antitumour 8-O-4′-neolignans, surinamensinols A and B, has been accomplished from commercially available allyl alcohol and (S)-ethyl lactate. The synthetic sequence involves a palladium-catalysed Suzuki–Miyaura cross-coupling reaction followed by a chiral Mitsunobu­ reaction as the key steps. This is the first report of the simultaneous stereoselective total synthesis of surinamensinols A and B through a single approach involving only six steps.

Cyanobacteria are prokaryotic Gram-negative organisms prevalent in nearly all habitats. A detailed proteomics study of Cyanobacteria has not been conducted despite extensive study of their genome sequences. Therefore, we conducted a proteome-wide analysis of the Cyanobacteria proteome and found Calothrix desertica as the largest (680331.825 kDa) and Candidatus synechococcus spongiarum as the smallest (42726.77 kDa) proteome of the cyanobacterial kingdom. A Cyanobacterial proteome encodes 312.018 amino acids per protein, with a molecular weight of 182173.1324 kDa per proteome. The isoelectric point (pI) of the Cyanobacterial proteome ranges from 2.13 to 13.32. It was found that the Cyanobacterial proteome encodes a greater number of acidic-pI proteins, and their average pI is 6.437. The proteins with higher pI are likely to contain repetitive amino acids. A virtual 2D map of Cyanobacterial proteome showed a bimodal distribution of molecular weight and pI. Several proteins within the Cyanobacterial proteome were found to encode Selenocysteine (Sec) amino acid, while Pyrrolysine amino acids were not detected. The study can enable us to generate a high-resolution cell map to monitor proteomic dynamics. Through this computational analysis, we can gain a better understanding of the bias in codon usage by analyzing the amino acid composition of the Cyanobacterial proteome.

A series of 24 new 1H-1,2,3-triazole hybrids of 3-O-acetyl-11-keto-β-boswellic acid (β-AKBA (1)) and 11-keto-β-boswellic acid (β-KBA (2)) was designed and synthesized by employing “click” chemistry in a highly efficient manner. The 1,3-dipolar cycloaddition reaction between β-AKBA-propargyl ester intermediate 3 or β-KBA-propargyl ester intermediate 4 with substituted aromatic azides 5a–5k in the presence of copper iodide (CuI) and Hünig’s base furnished the desired products—1H-1,2,3-triazole hybrids of β-AKBA (6a–6k) and β-KBA (7a–7k)—in high yields. All new synthesized compounds were characterized by 1H-, 13C-NMR spectroscopy, and HR-ESI-MS spectrometry. Furthermore, their α-glucosidase-inhibitory activity was evaluated in vitro. Interestingly, the results obtained from the α-glucosidase-inhibitory assay revealed that all the synthesized derivatives are highly potent inhibitors, with IC50 values ranging from 0.22 to 5.32 µM. Among all the compounds, 6f, 7h, 6j, 6h, 6g, 6c, 6k, 7g, and 7k exhibited exceptional inhibitory potency and were found to be several times more potent than the parent compounds 1 and 2, as well as standard acarbose. Kinetic studies of compounds 6g and 7h exhibited competitive and mixed types of inhibition, with ki values of 0.84 ± 0.007 and 1.18 ± 0.0012 µM, respectively. Molecular docking was carried out to investigate the binding modes of these compounds with α-glucosidase. The molecular docking interactions indicated that that all compounds are well fitted in the active site of α-glucosidase, where His280, Gln279, Asp215, His351, Arg442, and Arg315 mainly stabilize the binding of these compounds. The current study demonstrates the usefulness of incorporating a 1H-1,2,3-triazole moiety into the medicinally fascinating boswellic acids skeleton.

A series of novel 1H-1,2,3-triazole analogs (9a–j) were synthesized via “Click” chemistry and Suzuki–Miyaura cross-coupling reaction in aqueous medium. The compounds were evaluated for their carbonic anhydrase-II enzyme inhibitory activity in vitro. The synthesis of triazole 7a was accomplished using (S)-(-) ethyl lactate as a starting material. This compound (7a) underwent Suzuki–Miyaura cross-coupling reaction with different arylboronic acids in aqueous medium to afford the target molecules, 9a–j in good yields. All newly synthesized compounds were characterized by 1H NMR, 13C NMR, FT-IR, HRMS, and where applicable 19F NMR spectroscopy (9b, 9e, 9h, and 9j). The new compounds have shown moderate inhibition potential against carbonic anhydrase-II enzyme. A preliminary structure-activity relationship suggested that the presence of polar group at the 1H-1,2,3-triazole substituted phenyl ring in these derivatives (9a–j) has contributed to the overall activity of these compounds. Furthermore, via molecular docking, it was deduced that the compounds exhibit inhibitory potential through direct binding with the active site residues of carbonic anhydrase-II enzyme. This study has unraveled a new series of triazole derivatives as good inhibitors against carbonic anhydrase-II.

In this paper, we have developed a multi-objective inventory model with constant demand rate, under the limitation on storage of space. Production cost is considered in demand dependent and the deterioration cost is considered in average inventory level dependent. Also inventory holding cost is dependent on time. Due to uncertainty, all cost parameters are taken as generalized trapezoidal fuzzy number. Our proposed model is solved by both neutrosophic hesitant fuzzy programing approach and fuzzy non-linear programming technique. Numerical example has been given to illustrate the model. Finally sensitivity analysis has been presented graphically.

Hedychium coccineum Buch. Ham. ex Sm. is a perennial rhizomatous herb belonging to the family Zingiberaceae. The aim of the present study was to compare the chemical composition and biological activities of H. coccineum rhizome essential oil (HCCRO) and H. coccineum aerial part essential oil (HCCAO). The plant material was subjected to hydro-distillation using Clevenger’s apparatus in order to obtain volatile oil and analyzed for its chemical constituents using GC-MS. The comparative study of the rhizome and aerial part essential oils of H. coccineum displayed that (E)-nerolidol (15.9%), bornyl acetate (13.95%), davanone B (10.9%), spathulenol (8.9%), and 1, 8-cineol (8.5%) contributed majorly to the HCCRO, while 7-hydroxyfarnesen (15.5%), α-farnesene (11.1%), α-pinene (10.9%), spathulenol (7.7%), and β-pinene (6.8%) were present as major constituents in the HCCAO. Both the essential oils were studied for their biological activities, such as nematicidal, insecticidal, herbicidal, antifungal, and antibacterial activities. The essential oils exhibited significant nematicidal activity against Meloidogyne incognita, insecticidal activity against Spodoptera litura, and moderate herbicidal activity against R. raphanistrum sub sp. sativus, and good antifungal activity against Fusarium oxysporum and Curvularialunata. Essential oils were also tested for antibacterial activity against Staphylococcus aureus and Salmonella enterica serotype Typhi. Both oils showed good to moderate activity against the tested pathogens. The significant nematicidal, insecticidal, herbicidal, antifungal, and antibacterial activities of both the essential oils might be helpful for the development of environmentally friendly pesticides that could be an alternative to synthetic pesticides in the future.

Obesity, usually indicated by a body mass index of more than 30 kg/m2, is a worsening global health issue. It leads to chronic diseases, including type II diabetes, hypertension, and cardiovascular diseases. Conventional treatments for obesity include physical activity and maintaining a negative energy balance. However, physical activity alone cannot determine body weight as several other factors play a role in the overall energy balance. Alternatively, weight loss may be achieved by medication and surgery. However, these options can be expensive or have side effects. Therefore, dietary factors, including dietary modifications, nutraceutical preparations, and functional foods have been investigated recently. For example, edible mushrooms have beneficial effects on human health. Polysaccharides (essentially β-D-glucans), chitinous substances, heteroglycans, proteoglycans, peptidoglycans, alkaloids, lactones, lectins, alkaloids, flavonoids, steroids, terpenoids, terpenes, phenols, nucleotides, glycoproteins, proteins, amino acids, antimicrobials, and minerals are the major bioactive compounds in these mushrooms. These bioactive compounds have chemo-preventive, anti-obesity, anti-diabetic, cardioprotective, and neuroprotective properties. Consumption of edible mushrooms reduces plasma triglyceride, total cholesterol, low-density lipoprotein, and plasma glucose levels. Polysaccharides from edible mushrooms suppress mRNA expression in 3T3-L1 adipocytes, contributing to their anti-obesity properties. Therefore, edible mushrooms or their active ingredients may help prevent obesity and other chronic ailments.

At present, the potential role of the AgNPs/endo-fullerene molecule metal nano-composite has been evaluated over the biosystems in-vitro. The intra-atomic configuration of the fullerene molecule (C60) has been studied in-vitro for the anti-proliferative activity of human breast adenocarcinoma (MDA-MB-231) cell lines and antimicrobial activity against a few human pathogens that have been augmented with the pristine surface plasmonic electrons and antibiotic activity of AgNPs. Furthermore, FTIR revealed the basic vibrational signatures at ~3300 cm−1, 1023 cm−1, 1400 cm−1 for O-H, C-O, and C-H groups, respectively, for the carbon and oxygen atoms of the C60 molecule. NMR studies exhibited the different footprints and magnetic moments at ~7.285 ppm, explaining the unique underlying electrochemical attributes of the fullerene molecule. Such unique electronic and physico-chemical properties of the caged carbon structure raise hope for applications into the drug delivery domain. The in-vitro dose-dependent application of C60 elicits a toxic response against both the breast adenocarcinoma cell lines and pathogenic microbes. That enables the use of AgNPs decorated C60 endo fullerene molecules to design an effective anti-cancerous drug delivery and antimicrobial agent in the future, bringing a revolutionary change in the perspective of a treatment regime.

l-Proline has been used as an organocatalyst for an efficient synthesis of (α-aminoalkyl) phosphonates by treatment of aldehydes, amines and triethyl phosphate at room temperature. The products are formed in excellent yields (82–94%) within 30–45 min.

Pyranone natural products have attracted great attention in recent years from chemists and biologists due to their fascinating stereoisomeric structural features and impressive bioactivities. A large number of stereoselective total syntheses of these compounds have been described in the literature. The natural pyranones with long side chains have recently received significant importance in the synthetic field. In the present article, we aim to review the modern progress of the stereoselective total syntheses of these natural pyranones containing long-chain substituents.

Introduction: Postoperative orthopedic infections in the presence of implants require timely and aggressive intervention for eradication of infection. Negative pressure wound therapy (NPWT) is beneficial in wound management and implant retention, ultimately leading to fracture union. Incidentally, the use of NPWT was of great help in reducing dead space, which is responsible for the chronicity of the infection. It results in collapse of the cavity without need for repeated debridement. Aims and Objectives: This study is done to evaluate the role of negative pressure wound therapy in orthopaedic post operative infections and it′s role in implant retention and dead space management. Materials and Methods: Thirty-four patients who developed postoperative infections are included in the study. After thorough wound lavage NPWT dressing was applied followed by wound closure either by secondary suturing, skin graft or flap cover. Results: Thirty-four patients were treated during 2012-2014 out of which 22 patients had implants, 2 were treated for dead space, and 10 for both. Conclusion: NPWT has a definite role in eradicating early postoperative infection in the presence of an implant. The greatest advantage is retention of the implant.