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1.
Sensors (Basel) ; 23(13)2023 Jun 29.
Artigo em Inglês | MEDLINE | ID: mdl-37447872

RESUMO

Underwater wireless sensor networks (UWSNs) have gained prominence in wireless sensor technology, featuring resource-limited sensor nodes deployed in challenging underwater environments. To address challenges like power consumption, network lifetime, node deployment, topology, and propagation delays, cooperative transmission protocols like co-operative (Co-UWSN) and co-operative energy-efficient routing (CEER) have been proposed. These protocols utilize broadcast capabilities and neighbor head node (NHN) selection for cooperative routing. This research introduces NBEER, a novel neighbor-based energy-efficient routing protocol tailored for UWSNs. NBEER aims to surpass the limitations of Co-UWSN and CEER by optimizing NHNS and cooperative mechanisms to achieve load balancing and enhance network performance. Through comprehensive MATLAB simulations, we evaluated NBEER against Co-UWSN and CEER, demonstrating its superior performance across various metrics. NBEER significantly maximizes end-to-end delay, reduces energy consumption, improves packet delivery ratio, extends network lifetime, and enhances total received packets analysis compared to the existing protocols.


Assuntos
Benchmarking , Reprodução , Fenômenos Físicos , Tecnologia sem Fio
2.
Chem Biodivers ; 19(10): e202200323, 2022 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-35997224

RESUMO

This work reports the convenient strategy for the synthesis of bis-thiazolidinone based chalcone analogs (1-20) from readily available thiosemicarbazide hydrochloride, ammonium thiocyanate and benzaldehyde. All the newly afforded bis-thiazolidinone based chalcone analogs (1-20) were screened in vitro for their acetylcholinesterase and butyrylcholinesterase inhibition profile. It was noteworthy, that all the synthetic analogs (except analogs 10, 12 and 14, which are found to be inactive) showed moderate to good inhibitory potentials on screening against acetylcholinesterase having range of inhibitory with IC50 values from 0.070±0.050 to 7.60±0.10 µM, and similarly for butyrylcholinesterase with range IC50 values from 0.10±0.050 µM to 10.70±0.20 µM, respectively as compared to standard Donepezil inhibitor (IC50 =2.16±0.12 µM), (IC50 =4.5±0.11 µM).Among the series, the analogs with hydroxy group showed superior inhibitory potentials against acetylcholinesterase and butyrylcholinesterase enzymes. Therefore, analog 20 (IC50 =0.070±0.050 µM), (IC50 =0.10±0.050 µM) bearing trihydroxy substitutions on ortho-, meta- and para-position of both rings A and B was found to be the most active inhibitor of acetylcholinesterase and butyrylcholinesterase enzymes among the current synthesized series (1-23). Analog 19 (IC50 =0.15±0.050 µM), (IC50 =0.20±0.050 µM) bearing dihydroxy substitutions on ortho- and meta-position of both ring A and ring B was identified as the second most potent inhibitor against both these enzymes. Interestingly, the compound (16) (IC50 =1.50±0.10 µM against AChE) has a better selectivity index (2.60) than standard Donepezil drug (2.083) for AChE over BuChE. The different types of spectroscopic techniques such as HR-EI-MS, 1 H- and 13 C- NMR were used to confirm the structure of all the newly synthetics analogs. To find structure-activity relationship, molecular docking studies were carried out to understand the binding mode of active inhibitors with active site of enzymes and results supported the experimental data.


Assuntos
Chalcona , Chalconas , Butirilcolinesterase/metabolismo , Acetilcolinesterase/metabolismo , Simulação de Acoplamento Molecular , Benzaldeídos , Chalcona/química , Donepezila , Inibidores da Colinesterase/química , Relação Estrutura-Atividade , Estrutura Molecular
3.
Sensors (Basel) ; 22(10)2022 May 23.
Artigo em Inglês | MEDLINE | ID: mdl-35632365

RESUMO

Car crashes are among the top ten leading causes of death; they could mainly be attributed to distracted drivers. An advanced driver-assistance technique (ADAT) is a procedure that can notify the driver about a dangerous scenario, reduce traffic crashes, and improve road safety. The main contribution of this work involved utilizing the driver's attention to build an efficient ADAT. To obtain this "attention value", the gaze tracking method is proposed. The gaze direction of the driver is critical toward understanding/discerning fatal distractions, pertaining to when it is obligatory to notify the driver about the risks on the road. A real-time gaze tracking system is proposed in this paper for the development of an ADAT that obtains and communicates the gaze information of the driver. The developed ADAT system detects various head poses of the driver and estimates eye gaze directions, which play important roles in assisting the driver and avoiding any unwanted circumstances. The first (and more significant) task in this research work involved the development of a benchmark image dataset consisting of head poses and horizontal and vertical direction gazes of the driver's eyes. To detect the driver's face accurately and efficiently, the You Only Look Once (YOLO-V4) face detector was used by modifying it with the Inception-v3 CNN model for robust feature learning and improved face detection. Finally, transfer learning in the InceptionResNet-v2 CNN model was performed, where the CNN was used as a classification model for head pose detection and eye gaze angle estimation; a regression layer to the InceptionResNet-v2 CNN was added instead of SoftMax and the classification output layer. The proposed model detects and estimates head pose directions and eye directions with higher accuracy. The average accuracy achieved by the head pose detection system was 91%; the model achieved a RMSE of 2.68 for vertical and 3.61 for horizontal eye gaze estimations.


Assuntos
Aprendizado Profundo , Movimentos Oculares , Olho , Fixação Ocular , Movimentos da Cabeça
4.
Bioorg Chem ; 115: 105199, 2021 10.
Artigo em Inglês | MEDLINE | ID: mdl-34329995

RESUMO

Synthesis of quinoline analogs and their urease inhibitory activities with reference to the standard drug, thiourea (IC50 = 21.86 ± 0.40 µM) are presented in this study. The inhibitory activity range is (IC50 = 0.60 ± 0.01 to 24.10 ± 0.70 µM) which displayed that it is most potent class of urease inhibitor. Analog 1-9, and 11-13 emerged with many times greater antiurease potential than thiourea, in which analog 1, 2, 3, 4, 8, 9, and 11 (IC50 = 3.50 ± 0.10, 7.20 ± 0.20, 1.30 ± 0.10, 2.30 ± 0.10, 0.60 ± 0.01, 1.05 ± 0.10 and 2.60 ± 0.10 µM respectively) were appeared the most potent ones among the series. In this context, most potent analogs such as 1, 3, 4, 8, and 9 were further subjected for their in vitro antinematodal study against C. elegans to examine its cytotoxicity under positive control of standard drug, Levamisole. Consequently, the cytotoxicity profile displayed that analogs 3, 8, and 9 were found with minimum cytotoxic outline at higher concentration (500 µg/mL). All analogs were characterized through 1H NMR, 13C NMR and HR-EIMS. The protein-ligand binding interaction for most potent analogs was confirmed via molecular docking study.


Assuntos
Antinematódeos/farmacologia , Caenorhabditis elegans/efeitos dos fármacos , Inibidores Enzimáticos/farmacologia , Quinolinas/farmacologia , Urease/antagonistas & inibidores , Animais , Antinematódeos/síntese química , Antinematódeos/química , Relação Dose-Resposta a Droga , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/química , Humanos , Simulação de Acoplamento Molecular , Estrutura Molecular , Quinolinas/síntese química , Quinolinas/química , Relação Estrutura-Atividade , Urease/metabolismo
5.
Bioorg Chem ; 95: 103555, 2020 01.
Artigo em Inglês | MEDLINE | ID: mdl-31911306

RESUMO

A series of twenty-six analogs of benzimidazole based oxadiazole have been synthesized and evaluated against alpha-glycosidase enzyme. Most the analogs showed excellent to good inhibitory potential. Among the screened analogs, analog 1, 2, 3 and 14 with IC50 values 4.6 ± 0.1, 9.50 ± 0.3, 2.6 ± 0.1 and 9.30 ± 0.4 µM respectively showedexcellent inhibitory potential than reference drug acarbose (IC50 = 38.45 ± 0.80 µM). Some of the analogs like 19, 21, 22 and 23 with methyl and methoxy substituent on phenyl ring show hydrophobic interaction and were found with no inhibitory potential. The binding interactions between synthesized analogs and ligands protein were confirmed through molecular docking study. Various spectroscopic techniques like 1H NMR, 13C NMR, and EI-MS were used for characterization of all synthesized analogs. These derivatives were synthesized by simple mode of synthesis like heterocyclic ring formation.


Assuntos
Benzimidazóis/farmacologia , Inibidores de Glicosídeo Hidrolases/síntese química , Inibidores de Glicosídeo Hidrolases/farmacologia , Glicosídeo Hidrolases/antagonistas & inibidores , Simulação de Acoplamento Molecular , Estrutura Molecular
6.
Bioorg Chem ; 94: 103394, 2020 01.
Artigo em Inglês | MEDLINE | ID: mdl-31699396

RESUMO

Voglibose and acarbose are distinguished α-glucosidase inhibitors used for controlling of diabetes mellitus. Unfortunately, these distinguished and clinically used inhibitors have also numerous side effects. Subsequently, there is still needed to develop safer therapy. Despite of a broad spectrum of biological importance of benzimidazole, it is occasionally evaluated for α-glucosidase activity. Current study deals with the synthesis and biological screening of benzimidazole bearing bis-Schiff bases (1-19) for their α-glucosidase inhibitory activity. All analogues exhibited excellent to good inhibitory potential (IC50 = 2.20 ±â€¯0.1to 88.60 ±â€¯1.70 µM) when compared with standard drug acarbose (IC50 = 38.45 ±â€¯0.80 µM). A structure activity relationship has been established on the basis of electronic effects and position of different substituents present on phenyl ring. In order to rationalize the binding interactions of most active analogues with the active site of α-glucosidase enzyme, molecular docking study was conducted.


Assuntos
Benzimidazóis/farmacologia , Inibidores de Glicosídeo Hidrolases/farmacologia , Simulação de Acoplamento Molecular , alfa-Glucosidases/metabolismo , Benzimidazóis/síntese química , Benzimidazóis/química , Relação Dose-Resposta a Droga , Inibidores de Glicosídeo Hidrolases/síntese química , Inibidores de Glicosídeo Hidrolases/química , Humanos , Estrutura Molecular , Bases de Schiff/química , Bases de Schiff/farmacologia , Relação Estrutura-Atividade
7.
Environ Res ; 187: 109668, 2020 08.
Artigo em Inglês | MEDLINE | ID: mdl-32422482

RESUMO

Coronavirus epidemic can push millions of people in poverty. The shortage of healthcare resources, lack of sanitation, and population compactness leads to an increase in communicable diseases, which may increase millions of people add in a vicious cycle of poverty. The study used the number of factors that affect poverty incidence in a panel of 76 countries for a period of 2010-2019. The dynamic panel GMM estimates show that the causes of death by communicable diseases, chemical-induced carbon and fossil fuel combustion, and lack of access to basic hand washing facilities menace to increase poverty headcounts, whereas, an increase in healthcare expenditures substantially decreases poverty headcounts across countries. Further, the results show the U-shaped relationship between economic growth and poverty headcounts, as economic growth first decreases and later increase poverty headcount due to rising healthcare disparities among nations. The causality estimates show that lack of access to basic amenities lead to increase of communicable diseases including COVID-19 whereas chemical-induced carbon and fossil fuel emissions continue to increase healthcare expenditures and economic growth in a panel of selected countries. The rising healthcare disparities, regional conflicts, and public debt burden further 'hold in the hand' of communicable diseases that push millions of people in the poverty trap.


Assuntos
Doenças Transmissíveis , Infecções por Coronavirus , Pandemias , Pneumonia Viral , Pobreza , Betacoronavirus , COVID-19 , Aglomeração , Desenvolvimento Econômico , Gastos em Saúde , Recursos em Saúde/provisão & distribuição , Disparidades em Assistência à Saúde , Humanos , SARS-CoV-2 , Saneamento
8.
Bioorg Med Chem ; 27(18): 4081-4088, 2019 09 15.
Artigo em Inglês | MEDLINE | ID: mdl-31378594

RESUMO

In searchof the potenttherapeutic agent as an α-glucosidase inhibitor, we have synthesized twenty-five analogs (1-25) of quinoline-based Schiff bases as an inhibitoragainst α-glucosidase enzyme under positive control acarbose (IC50 = 38.45 ±â€¯0.80 µM). From the activity profile it was foundthat analogs 1, 2, 3, 4, 11, 12 and 20with IC50values 12.40 ±â€¯0.40, 9.40 ±â€¯0.30, 14.10 ±â€¯0.40, 6.20 ±â€¯0.30, 14.40 ±â€¯0.40, 7.40 ±â€¯0.20 and 13.20 ±â€¯0.40 µMrespectively showed most potent inhibition among the series even than standard drug acarbose (IC50 = 38.45 ±â€¯0.80 µM). Here in the present study analog 4 (IC50 = 6.20 ±â€¯0.30 µM) was found with many folds better α-glucosidase inhibitory activity than the reference drug. Eight analogs like 5, 7, 8, 16, 17, 22, 24 and 25 among the whole series displayed less than 50% inhibition. The substituents effects on phenyl ring thereby superficially established through SAR study. Binding interactions of analogs and the active site of ligands proteins were confirmed through molecular docking study. Spectroscopic techniques like 1H NMR, 13C NMR and ESIMS were used for characterization.


Assuntos
Diabetes Mellitus/tratamento farmacológico , Simulação de Acoplamento Molecular/métodos , Quinolinas/síntese química , Humanos , Relação Estrutura-Atividade
9.
Bioorg Chem ; 89: 102999, 2019 08.
Artigo em Inglês | MEDLINE | ID: mdl-31151055

RESUMO

Isoquinoline analogues (KA-1 to 16) have been synthesized and evaluated for their E. coli thymidine phosphorylase inhibitory activity. Except compound 11, all other analogs showed outstanding thymidine inhibitory potential ranging in between 4.40 ±â€¯0.20 to 69.30 ±â€¯1.80 µM when compared with standard drug 7-Deazaxanthine (IC50 = 38.68 ±â€¯4.42 µM). Structure Activity Relationships has been established for all compounds, mainly based on substitution pattern on phenyl ring. All analogs were characterized by various spectroscopic techniques such as 1H NMR, 13C NMR and EI-MS. The binding interactions of isoquinoline analogues with the active site of TP enzyme, the molecular docking studies were performed. Furthermore, the angiogenic inhibitory potentials of isoquinoline analogues (KA-1-9, 14, 12 and 16) were determined in the presence of standard drug Dexamethasone based on percentage inhibitions at various concentrations. Herein this work analogue KA-12, 14 and 16 emerged with most potent angiogenic inhibitory potentials among the synthesized analogues.


Assuntos
Inibidores da Angiogênese/farmacologia , Inibidores Enzimáticos/farmacologia , Isoquinolinas/farmacologia , Simulação de Acoplamento Molecular , Neovascularização Patológica/tratamento farmacológico , Timidina Fosforilase/antagonistas & inibidores , Inibidores da Angiogênese/síntese química , Inibidores da Angiogênese/química , Relação Dose-Resposta a Droga , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/química , Escherichia coli/enzimologia , Isoquinolinas/síntese química , Isoquinolinas/química , Estrutura Molecular , Relação Estrutura-Atividade , Timidina Fosforilase/metabolismo
10.
Bioorg Chem ; 92: 103284, 2019 11.
Artigo em Inglês | MEDLINE | ID: mdl-31546207

RESUMO

New triazinoindole bearing thiazole/oxazole analogues (1-21) were synthesized and characterized through spectroscopic techniques such as HREI-MS, 1H and 13C NMR. The configuration of compound 2i and 2k was confirmed through NOESY. All analogues were evaluated against α-amylase inhibitory potential. Among the synthesized analogues, compound 1h, 1i, 1j, 2a and 2f having IC50 values 1.80 ±â€¯0.20, 1.90 ±â€¯0.30, 1.2 ±â€¯0.30, 1.2 ±â€¯0.01 and 1.30 ±â€¯0.20 µM respectively, showed excellent α-amylase inhibitory potential when compared with acarbose as standard (IC50 = 0.91 ±â€¯0.20 µM). All other analogues showed good to moderate inhibitory potential. Structural activity relationship (SAR) has been established and binding interactions were confirmed through docking studies.


Assuntos
Inibidores de Glicosídeo Hidrolases/farmacologia , Simulação de Acoplamento Molecular , Oxazóis/farmacologia , Tiazóis/farmacologia , Triazinas/farmacologia , alfa-Amilases/antagonistas & inibidores , Relação Dose-Resposta a Droga , Inibidores de Glicosídeo Hidrolases/síntese química , Inibidores de Glicosídeo Hidrolases/química , Humanos , Estrutura Molecular , Oxazóis/química , Relação Estrutura-Atividade , Tiazóis/química , Triazinas/síntese química , Triazinas/química , alfa-Amilases/metabolismo
11.
Bioorg Chem ; 89: 103024, 2019 08.
Artigo em Inglês | MEDLINE | ID: mdl-31176853

RESUMO

Despite of many diverse biological activities exhibited by benzimidazole scaffold, it is rarely explored for the urease inhibitory potential. For that purpose, benzimidazole analogues 1-19 were synthesized and screened for in vitro urease inhibitory potential. Structures of all synthetic analogues were deduced by different spectroscopic techniques. All analogues revealed inhibition potential with IC50 values of 0.90 ±â€¯0.01 to 35.20 ±â€¯1.10 µM, when compared with the standard thiourea (IC50 = 21.40 ±â€¯0.21 µM). Limited SAR suggested that the variations in the inhibitory potentials of the analogues are the result of different substitutions on phenyl ring. In order to rationalize the binding interactions of most active compounds with the active site of urease enzyme, molecular docking study was conducted.


Assuntos
Benzimidazóis/farmacologia , Inibidores Enzimáticos/farmacologia , Simulação de Acoplamento Molecular , Urease/antagonistas & inibidores , Benzimidazóis/síntese química , Benzimidazóis/química , Relação Dose-Resposta a Droga , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/química , Estrutura Molecular , Relação Estrutura-Atividade , Urease/metabolismo
12.
Molecules ; 24(21)2019 Oct 23.
Artigo em Inglês | MEDLINE | ID: mdl-31652777

RESUMO

A new class of triazinoindole-bearing thiosemicarbazides (1-25) was synthesized and evaluated for α-glucosidase inhibitory potential. All synthesized analogs exhibited excellent inhibitory potential, with IC50 values ranging from 1.30 ± 0.01 to 35.80 ± 0.80 µM when compared to standard acarbose (an IC50 value of 38.60 ± 0.20 µM). Among the series, analogs 1 and 23 were found to be the most potent, with IC50 values of 1.30 ± 0.05 and 1.30 ± 0.01 µM, respectively. The structure-activity relationship (SAR) was mainly based upon bringing about different substituents on the phenyl rings. To confirm the binding interactions, a molecular docking study was performed.


Assuntos
Inibidores de Glicosídeo Hidrolases/química , Inibidores de Glicosídeo Hidrolases/síntese química , Simulação de Acoplamento Molecular , Tioureia , alfa-Glucosidases/química , Relação Estrutura-Atividade , Tioureia/análogos & derivados , Tioureia/síntese química , Tioureia/química
13.
Environ Res ; 160: 398-411, 2018 01.
Artigo em Inglês | MEDLINE | ID: mdl-29065379

RESUMO

The aim of this study is to examine the impact of air pollutants, including mono-nitrogen oxides (NOx), nitrous oxide (N2O), sulfur dioxide (SO2), carbon dioxide emissions (CO2), and greenhouse gas (GHG) emissions on ecological footprint, habitat area, food supply, and biodiversity in a panel of thirty-four developed and developing countries, over the period of 1995-2014. The results reveal that NOx and SO2 emissions both have a negative relationship with ecological footprints, while N2O emission and real GDP per capita have a direct relationship with ecological footprints. NOx has a positive relationship with forest area, per capita food supply and biological diversity while CO2 emission and GHG emission have a negative impact on food production. N2O has a positive impact on forest area and biodiversity, while SO2 emissions have a negative relationship with them. SO2 emission has a direct relationship with per capita food production, while GDP per capita significantly affected per capita food production and food supply variability across countries. The overall results reveal that SO2, CO2, and GHG emissions affected potential habitat area, while SO2 and GHG emissions affected the biodiversity index. Trade liberalization policies considerably affected the potential habitat area and biological diversity in a panel of countries.


Assuntos
Poluentes Atmosféricos/toxicidade , Biodiversidade , Dióxido de Carbono/toxicidade , Ozônio/toxicidade , Dióxido de Enxofre/toxicidade , Monitoramento Ambiental , Gases de Efeito Estufa/toxicidade , Óxidos de Nitrogênio/toxicidade , Óxido Nitroso/toxicidade
14.
Bioorg Chem ; 75: 78-85, 2017 12.
Artigo em Inglês | MEDLINE | ID: mdl-28918064

RESUMO

The α-amylase acts as attractive target to treat type-2 diabetes mellitus. Therefore in discovering a small molecule as α-amylase inhibitor, we have synthesized benzofuran carbohydrazide analogs (1-25), characterized through different spectroscopic techniques such as 1HNMR and EI-MS. All screened analog shows good α-amylase inhibitory potentials with IC50 value ranging between 1.078±0.19 and 2.926±0.05µM when compared with acarbose having IC50=0.62±0.22µM. Only nine analogs among the series such as analogs 3, 5, 7, 8, 10, 12, 21, 23 and 24 exhibit good inhibitory potential with IC50 values 1.644±0.128, 1.078±0.19, 1.245±0.25, 1.843±0.19, 1.350±0.24, 1.629±0.015, 1.353±0.232, 1.359±0.119 and 1.488±0.07µM when compare with standard drug acarbose. All other analogs showed good to moderate α-amylase inhibitory potentials. The SAR study was conducted on the basis of substituent difference at the phenyl ring. The binding interaction between analogs and active site of enzyme was confirmed by docking studies.


Assuntos
Benzofuranos/química , Inibidores Enzimáticos/síntese química , Hidrazonas/química , alfa-Amilases/antagonistas & inibidores , Sítios de Ligação , Domínio Catalítico , Inibidores Enzimáticos/química , Inibidores Enzimáticos/metabolismo , Hidrazonas/síntese química , Hidrazonas/metabolismo , Ligação de Hidrogênio , Concentração Inibidora 50 , Simulação de Acoplamento Molecular , Relação Estrutura-Atividade , alfa-Amilases/metabolismo
15.
Bioorg Chem ; 74: 1-9, 2017 10.
Artigo em Inglês | MEDLINE | ID: mdl-28719801

RESUMO

A new library of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives (1-23) were synthesized and characterized by EI-MS and 1H NMR, and screened for their α-amylase inhibitory activity. Out of twenty-three derivatives, two molecules 19 (IC50=0.38±0.82µM) and 23 (IC50=1.66±0.14µM), showed excellent activity whereas the remaining compounds, except 10 and 17, showed good to moderate inhibition in the range of IC50=1.77-2.98µM when compared with the standard acarbose (IC50=1.66±0.1µM). A plausible structure-activity relationship has also been presented. In addition, in silico studies was carried out in order to rationalize the binding interaction of compounds with the active site of enzyme.


Assuntos
Inibidores Enzimáticos/farmacologia , Éter/farmacologia , Imidazóis/farmacologia , Simulação de Acoplamento Molecular , alfa-Amilases/antagonistas & inibidores , Animais , Relação Dose-Resposta a Droga , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/química , Éter/síntese química , Éter/química , Imidazóis/síntese química , Imidazóis/química , Estrutura Molecular , Relação Estrutura-Atividade , Suínos , alfa-Amilases/metabolismo
16.
Bioorg Chem ; 63: 123-31, 2015 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-26520885

RESUMO

4-Thiazolidinone analogs 1-20 were synthesized, characterized by (1)H NMR and EI-MS and investigated for urease inhibitory activity. All twenty (20) analogs exhibited varied degree of urease inhibitory potential with IC50 values 1.73-69.65µM, if compared with standard thiourea having IC50 value of 21.25±0.15µM. Among the series, eight derivatives 3, 6, 8, 10, 15, 17, 19, and 20 showed outstanding urease inhibitory potential with IC50 values of 9.34±0.02, 14.62±0.03, 8.43±0.01, 7.3±0.04, 2.31±0.002, 5.75±0.003, 8.81±0.005, and 1.73±0.001µM, respectively, which is better than the standard thiourea. The remaining analogs showed good to excellent urease inhibition. The binding interactions of these compounds were confirmed through molecular docking studies.


Assuntos
Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/farmacologia , Tiazolidinas/farmacologia , Urease/antagonistas & inibidores , Bacillus/enzimologia , Relação Dose-Resposta a Droga , Inibidores Enzimáticos/química , Simulação de Dinâmica Molecular , Estrutura Molecular , Relação Estrutura-Atividade , Tiazolidinas/síntese química , Tiazolidinas/química , Urease/metabolismo
17.
Heliyon ; 10(3): e24641, 2024 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-38314283

RESUMO

This study investigates the impact of FinTech adoption on sustainable mineral management policies in Australia within the context of Industry 4.0, using quarterly data from 1990Q1 to 2022Q4. Employing the ARDL-Bounds testing approach, Granger causality analysis, and innovation accounting matrix, the research finds a short-term positive association between FinTech adoption, technological readiness, and green mineral extraction. However, both in the short and long run, investment in sustainable mining technologies, government support for FinTech in mining, and environmental compliance exhibit a negative relationship with resource management. Bidirectional causality is observed between regulatory support for mining FinTech, technological finance solutions, and environmentally conscious mineral practices, while unidirectional causality exists from FinTech adoption to sustainable mining practices. Impulse response functions offer insights into the future impact of variables on eco-conscious mining policies, indicating positive influences from FinTech adoption, government support for FinTech in mining, and technological adaptability over the next decade. Conversely, eco-friendly mining investments, environmental conformity, and social license to operate will impact sustainable mineral utilization. Variance decomposition analysis highlights the most significant shocks on eco-friendly resource management over the next ten years, emphasizing the role of sustainable mining technologies, FinTech adoption, and public support for mining endeavours. In the transition to Industry 4.0, this research provides crucial insights for responsibly utilizing Australia's natural resources by leveraging financial technology and technological readiness.

18.
Heliyon ; 10(4): e25689, 2024 Feb 29.
Artigo em Inglês | MEDLINE | ID: mdl-38370204

RESUMO

Pakistan's forest cover is experiencing significant degradation in the ongoing efforts to combat climate change. The current state of the climate catastrophe is acknowledged. Nevertheless, there is a significant lack of readiness to tackle it effectively, especially regarding safeguarding the welfare of forthcoming generations. Pakistan bears significant relevance for future generations in this global crisis. The primary objective of this study is to examine the environmental difficulties faced by Pakistan and emphasize the critical need to safeguard its natural resources, considering the well-being of present and future generations. By using rigorous correlation and robust least squares regression methods, we investigate the complex interplay of financial aid, environmental legislation, precipitation, population growth, foreign direct investment, and afforestation within the time frame spanning from 1990 to 2022. The findings demonstrate that providing financial aid for afforestation initiatives significantly expands forested areas in Pakistan. Furthermore, the expansion of the population, the implementation of rigorous environmental restrictions, and the yearly amount of precipitation all play a role in the augmentation of forest coverage in Pakistan. Nevertheless, an alarming pattern of diminishing forest coverage over the years presents noteworthy obstacles. The importance of governance in promoting afforestation initiatives and sustainable development is highlighted by the emergence of adequate regulatory quality as a key factor. The average amount of precipitation has a discernible beneficial influence, underscoring the significance of climatic factors. The results above emphasize the need to implement cautious water resource management strategies and regulations responsive to climatic conditions. Based on these observations, the study proposes promoting sustainable agricultural and forest management, adopting a well-balanced strategy towards population expansion, implementing regulatory changes, and prudent use of water resources.

19.
Environ Sci Pollut Res Int ; 30(18): 53778-53795, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-36867335

RESUMO

The logistics business is a crucial contributor to economic development, yet it is also the leading source of carbon emissions. Economic growth at the expense of environmental deterioration is a challenging issue; this phenomenon offered a new avenue for scholars and policymakers to investigate and address these issues. The recent study is one of the attempts to explore this intricate subject. The goal of this research is to determine whether or not the Chinese logistics sector has an impact on Pakistan's GDP and carbon emissions as a result of CPEC. The research utilized data from 2007Q1 to 2021Q4 using the ARDL approach for an empirical estimate. Due to the mixed order of variable integration and finite data set, the ARDL technique is well deserved, which helps reach sound policy inferences. The study's key results indicated that China's logistic business enhances Pakistan's economic development and carbon emissions in the short and long term. Similarly, China's energy usage, technology, and transportation contribute to Pakistan's economic progress at the price of environmental damage. The empirical study may be a model for other developing nations, given Pakistan's viewpoint. With the support of the empirical results, policymakers in Pakistan and other associated countries would be able to plan for sustainable growth in conjunction with CPEC.


Assuntos
Carbono , Desenvolvimento Econômico , Paquistão , Dióxido de Carbono/análise , China
20.
Heliyon ; 9(8): e19013, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37600428

RESUMO

Aviation cargo remains vital in the economic activities to transported goods from one place to another. The developed and developing countries mainly consider the transaction routes for air transportation for safe and quickest mode. Chinese economy is attracting the global World through its exports. The country's air cargo system is mainly reliant on gasoline and petroleum-based fuels, which harms the country's green transportation agenda. The high use of fuel combustions in the aviation sector needed greenfield investment that helps to use green energy as an alternative sustainable fuel. Further, sustainable aviation insurance and financial coverage are needed to mitigate the adverse negative externalities from air cargo operations. Based on the crucial facts, the study used air cargo operations, transportation fuel combustions, private investment in the transportation and insurance coverage in the pollution damage function for the China economy using data from 1975 to 2020. The research employed a non-linear ARDL Bounds testing strategy to break down the sequence of variables into dynamic positive and negative multipliers. Positive shocks in air freight, insurance services, and greenfield investment have been shown to reduce carbon emissions immediately and over the long term. In the short term, carbon damages are exacerbated by the negative shocks resulting from the use of transportation fuel and the availability of insurance. Moreover, both the positive and negative shocks associated with transportation fuel combustions and air transportation freights contribute to a rise in carbon damage. The variance decomposition analysis validated the asymmetric correlations between the aforementioned variables in the intertemporal environment. Based on the findings, negative shocks from total fuel combustions are expected to impose the greatest carbon damages over the next decade, followed by insurance services and air freight operations. The study concludes that air cargo operations need to be sustainable transacting routes fueled by biofuel energy sources, greenfield investment, and sustainable aviation insurance coverage to achieve the 'green is clean' transportation agenda.

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