Abstract Activation of chemical reactions in the solid state by mechanical energy represents a novel method with a high potential to be used in organic chemistry and various applications. There are several advantages over the classical reactions which are carried out in solution. Green aspects are in the avoidance of organic solvents, which diminishes environmental impact, whereas shortening of reaction times and room temperature conditions reduce the energy input. Furthermore, mechanochemical reactions could lead to products which cannot be obtained by solution chemistry or are produced by higher atom efficiency. The realization of the simplicity of the method and its advantages by chemists has led to increased application. The basics of the method and selected reactions are illustrated, in order to introduce this environmentally friendly method and to widen its use by the organic science community.
{"title":"Mechanochemistry as a green method in organic chemistry and its applications","authors":"D. Margetić","doi":"10.1515/psr-2022-0351","DOIUrl":"https://doi.org/10.1515/psr-2022-0351","url":null,"abstract":"Abstract Activation of chemical reactions in the solid state by mechanical energy represents a novel method with a high potential to be used in organic chemistry and various applications. There are several advantages over the classical reactions which are carried out in solution. Green aspects are in the avoidance of organic solvents, which diminishes environmental impact, whereas shortening of reaction times and room temperature conditions reduce the energy input. Furthermore, mechanochemical reactions could lead to products which cannot be obtained by solution chemistry or are produced by higher atom efficiency. The realization of the simplicity of the method and its advantages by chemists has led to increased application. The basics of the method and selected reactions are illustrated, in order to introduce this environmentally friendly method and to widen its use by the organic science community.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"230 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79016401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Abdul-Hammed, I. Bello, M. Olajide, I. O. Adedotun, Tolulope Irapada Afolabi, Ayobami Abimbola Ibironke, Barakat Dasola Adebayo
Abstract This research is aimed at investigating the anti-colorectal cancer activities of phytochemicals from Mangifera indica (Mango) via the inhibition of thymidylate synthase (TS) and Nuclear Factor kappa B (NF–κB) using computational chemistry tools. Ligands (141 phytochemicals previously isolated from mangoes) and reference drugs (Raltitrexed and Emetine), the drug inhibitors of TS and NF–κB, respectively) were subjected to screening via ADMET profiling, drug-likeness analysis, oral bioavailability, PASS profile, and molecular interactions. Ligands that passed the previously mentioned screening were docked in duplicate against the target receptors (TS and NF–κB) using PyRx software. The mean values were calculated to obtain suitable docking scores. The analysis showed that TS was strongly inhibited by Friedelan-3beta-Ol with its lower binding energy of −9.0 kcal/mol more than Raltitrexed with a binding energy of −8.7 kcal/mol. NF–κB was also inhibited by Friedelan-3beta-Ol and Friedelin with binding energies of −8.0 and −8.1 kcal/mol, respectively, more than Emetine with a binding energy of −6.4 kcal/mol. These two phytochemicals performed much better than the standard drugs, thus selected as the best hits compounds because of their ADMET profile, drug-likeness properties, bioactivity, oral bioavailability, PASS prediction, binding affinities, and their interactions with the amino acids in the active sites of the receptors. Therefore, further studies are necessary for the validation of these claims toward the development of new effective and safer anti-colorectal cancer drugs.
{"title":"Exploration of bioactive compounds from Mangifera indica (Mango) as probable inhibitors of thymidylate synthase and nuclear factor kappa-B (NF-Κb) in colorectal cancer management","authors":"M. Abdul-Hammed, I. Bello, M. Olajide, I. O. Adedotun, Tolulope Irapada Afolabi, Ayobami Abimbola Ibironke, Barakat Dasola Adebayo","doi":"10.1515/psr-2022-0282","DOIUrl":"https://doi.org/10.1515/psr-2022-0282","url":null,"abstract":"Abstract This research is aimed at investigating the anti-colorectal cancer activities of phytochemicals from Mangifera indica (Mango) via the inhibition of thymidylate synthase (TS) and Nuclear Factor kappa B (NF–κB) using computational chemistry tools. Ligands (141 phytochemicals previously isolated from mangoes) and reference drugs (Raltitrexed and Emetine), the drug inhibitors of TS and NF–κB, respectively) were subjected to screening via ADMET profiling, drug-likeness analysis, oral bioavailability, PASS profile, and molecular interactions. Ligands that passed the previously mentioned screening were docked in duplicate against the target receptors (TS and NF–κB) using PyRx software. The mean values were calculated to obtain suitable docking scores. The analysis showed that TS was strongly inhibited by Friedelan-3beta-Ol with its lower binding energy of −9.0 kcal/mol more than Raltitrexed with a binding energy of −8.7 kcal/mol. NF–κB was also inhibited by Friedelan-3beta-Ol and Friedelin with binding energies of −8.0 and −8.1 kcal/mol, respectively, more than Emetine with a binding energy of −6.4 kcal/mol. These two phytochemicals performed much better than the standard drugs, thus selected as the best hits compounds because of their ADMET profile, drug-likeness properties, bioactivity, oral bioavailability, PASS prediction, binding affinities, and their interactions with the amino acids in the active sites of the receptors. Therefore, further studies are necessary for the validation of these claims toward the development of new effective and safer anti-colorectal cancer drugs.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90724814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract Brain response to visual stimulation can be probed quantitatively using functional magnetic resonance spectroscopy (fMRS), which relies on the blood oxygenation level dependent (BOLD) contrast mechanism. BOLD effect in fMRS is associated with changes in the areas, widths, and heights of the MR spectra. This study investigated the effect of spectral averaging scheme (NEX value) on BOLD changes in the spectra. Using a visual stimulus at 8 Hz in single and interleaved stimulation paradigms, the BOLD effects in spectra acquired from the occipital brain region of three healthy volunteers (mean age ± SD = 32.7 ± 3.5 years) were compared for two fMRS data sets acquired with two NEX values (“2” and “8”) available on a 3 T MR scanner. BOLD signal changes were estimated as percentage changes in spectral areas, heights, and widths of six cerebral metabolites and water using the SAGE software package (version 7). There was a general trend of lower BOLD effects with NEX = 8 in both stimulation paradigms. In the single stimulation paradigm, NEX = 8 was associated with significantly lower N-acetyl aspartate (NAA) spectral height (p = 0.03), creatine (p = 0.04) and choline (p = 0.02) spectral widths, and NAA (p = 0.03), water (p < 0.01), and glutamate (p = 0.02) spectral areas. In the interleaved stimulation paradigm, NEX = 8 was associated with significantly lower glutamate spectral height (p = 0.02), water (p = 0.03), and glutamine (p = 0.03) spectral widths, but there was no significant difference in all spectral areas between the two NEX values. Even though the two NEX values offered some differences in observable BOLD effects, their spectral areas were not significantly different in the interleaved visual stimulation experiments.
{"title":"Spectral peak areas do not vary according to spectral averaging scheme used in functional MRS experiments at 3 T with interleaved visual stimulation","authors":"A. N. Mumuni, J. McLean, G. Waiter","doi":"10.1515/psr-2022-0301","DOIUrl":"https://doi.org/10.1515/psr-2022-0301","url":null,"abstract":"Abstract Brain response to visual stimulation can be probed quantitatively using functional magnetic resonance spectroscopy (fMRS), which relies on the blood oxygenation level dependent (BOLD) contrast mechanism. BOLD effect in fMRS is associated with changes in the areas, widths, and heights of the MR spectra. This study investigated the effect of spectral averaging scheme (NEX value) on BOLD changes in the spectra. Using a visual stimulus at 8 Hz in single and interleaved stimulation paradigms, the BOLD effects in spectra acquired from the occipital brain region of three healthy volunteers (mean age ± SD = 32.7 ± 3.5 years) were compared for two fMRS data sets acquired with two NEX values (“2” and “8”) available on a 3 T MR scanner. BOLD signal changes were estimated as percentage changes in spectral areas, heights, and widths of six cerebral metabolites and water using the SAGE software package (version 7). There was a general trend of lower BOLD effects with NEX = 8 in both stimulation paradigms. In the single stimulation paradigm, NEX = 8 was associated with significantly lower N-acetyl aspartate (NAA) spectral height (p = 0.03), creatine (p = 0.04) and choline (p = 0.02) spectral widths, and NAA (p = 0.03), water (p < 0.01), and glutamate (p = 0.02) spectral areas. In the interleaved stimulation paradigm, NEX = 8 was associated with significantly lower glutamate spectral height (p = 0.02), water (p = 0.03), and glutamine (p = 0.03) spectral widths, but there was no significant difference in all spectral areas between the two NEX values. Even though the two NEX values offered some differences in observable BOLD effects, their spectral areas were not significantly different in the interleaved visual stimulation experiments.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"88 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87089819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract This study compared two hydrothermally synthesized heterojunctions composites, Bi24O31Br10 – carbonaceous (activated carbon from zinc chloride [ACZ], phosphoric acid [ACH], carbonized material [CM]), and Bi24O31Br10 – silicates (SBA-15 and MCM-41), with nanosheets structure. The photocatalytic degradation of tetracycline (TC) was used to evaluate the synergistic influence of the catalyst supports for the corresponding heterojunction composites. The X-Ray diffractometry (XRD), Fourier transform infrared spectroscopy and scanning electron microscopy (SEM) confirmed the synthesis of the Bi24O31Br10 (BOB) – composites. After 120 min of visible LED light photocatalytic reactions, the degradation trend in removal efficiency of TC was BOB-ACZ > BOB > ACH > BOB-CM > BOB-MCM-41 > BOB-SBA-15 > BOB. The study reveals that Bi24O31Br11 – carbonaceous composite exhibits much better degradation efficiency than Bi24O31Br11 – silicates. Crucially, the synergistic surface interaction of ACZ with BOB, and the efficient separation of photogenerated charge carriers, from the SEM, XRD analysis, and photocurrent response, confirmed the photocatalytic enhancement of the heterojunction formation of the BOB-ACZ composite. This study further provides convincing insights on the superiority of carbonaceous nanomaterial to silica materials as efficient catalyst support in catalytic applications.
摘要本研究比较了两种水热合成的异质结复合材料Bi24O31Br10 -碳质(活性炭由氯化锌[ACZ]、磷酸[ACH]、碳化材料[CM]制成)和Bi24O31Br10 -硅酸盐(SBA-15和MCM-41)，它们具有纳米片结构。采用光催化降解四环素(TC)的方法，评价催化剂载体对相应异质结复合材料的协同作用。x射线衍射(XRD)、傅里叶变换红外光谱和扫描电镜(SEM)证实了Bi24O31Br10 (BOB) -复合材料的合成。在可见光LED光催化反应120 min后，TC去除率的下降趋势为BOB- acz > BOB > ACH > BOB- cm > BOB- mcm -41 > BOB- sba -15 > BOB。研究表明，Bi24O31Br11 -碳质复合材料比Bi24O31Br11 -硅酸盐具有更好的降解效率。至关重要的是，从SEM、XRD分析和光电流响应来看，ACZ与BOB的协同表面相互作用以及光生载流子的有效分离，证实了光催化增强了BOB-ACZ复合材料异质结的形成。本研究进一步提供了令人信服的见解，说明碳质纳米材料在催化应用中作为高效催化剂载体的优越性。
{"title":"Comparative study of the photocatalytic degradation of tetracycline under visible light irradiation using Bi24O31Br11-anchored carbonaceous and silicates catalyst support","authors":"S. Sanni, S. Akpotu, A. Pholosi, V. Pakade","doi":"10.1515/psr-2022-0326","DOIUrl":"https://doi.org/10.1515/psr-2022-0326","url":null,"abstract":"Abstract This study compared two hydrothermally synthesized heterojunctions composites, Bi24O31Br10 – carbonaceous (activated carbon from zinc chloride [ACZ], phosphoric acid [ACH], carbonized material [CM]), and Bi24O31Br10 – silicates (SBA-15 and MCM-41), with nanosheets structure. The photocatalytic degradation of tetracycline (TC) was used to evaluate the synergistic influence of the catalyst supports for the corresponding heterojunction composites. The X-Ray diffractometry (XRD), Fourier transform infrared spectroscopy and scanning electron microscopy (SEM) confirmed the synthesis of the Bi24O31Br10 (BOB) – composites. After 120 min of visible LED light photocatalytic reactions, the degradation trend in removal efficiency of TC was BOB-ACZ > BOB > ACH > BOB-CM > BOB-MCM-41 > BOB-SBA-15 > BOB. The study reveals that Bi24O31Br11 – carbonaceous composite exhibits much better degradation efficiency than Bi24O31Br11 – silicates. Crucially, the synergistic surface interaction of ACZ with BOB, and the efficient separation of photogenerated charge carriers, from the SEM, XRD analysis, and photocurrent response, confirmed the photocatalytic enhancement of the heterojunction formation of the BOB-ACZ composite. This study further provides convincing insights on the superiority of carbonaceous nanomaterial to silica materials as efficient catalyst support in catalytic applications.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89169390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Benton Onyango Otieno, Mervyn Khune, J. Kabuba, P. Osifo
Abstract Industrial activities and increased human population have made wastewater streams not entirely amenable to conventional treatment methods. Anaerobic digestion (AD) can treat such wastewaters with the advantage of bioresource recovery. However, the presence of solids and recalcitrant compounds in most wastewater streams may affect the AD process. Thus, combining AD with advanced oxidation processes (AOPs) such as ozonolysis is necessary. Ozonolysis can improve the biodegradability of wastewater substrates or eliminate biorecalcitrant pollutants that escape the AD process. This study combined ozonolysis with AD to treat waste activated sludge (WAS) and distillery wastewater (DWW). When applied as a pre-treatment, ozonolysis caused the rigid cell walls in WAS to rupture and solubilised the extracellular polymeric substances (EPS), leading to increased biodegradability. For the DWW, ozonolysis pre-treatment reduced the biorecalcitrant aromatic compounds to simple aliphatic compounds, thereby increasing biodegradability. In the ensuing anaerobic process, the WAS pre-treatment improved TSS and COD reductions and a 230% increase in cumulative biogas production. For the DWW, the ozonolysis pre-treatment did not significantly impact COD reduction or biogas production; however, ozonolysis as a post-treatment removed the color causing biorecalcitrant melanoidins from the anaerobically digested effluent and solubilised the sludge (TSS) washed out from the AD unit. Therefore, the AD-ozonolysis process configuration depends on the substrate being treated. Ozonolysis is best applied pre-AD for WAS treatment and post-AD for DWW.
{"title":"Process configuration of combined ozonolysis and anaerobic digestion for wastewater treatment","authors":"Benton Onyango Otieno, Mervyn Khune, J. Kabuba, P. Osifo","doi":"10.1515/psr-2022-0340","DOIUrl":"https://doi.org/10.1515/psr-2022-0340","url":null,"abstract":"Abstract Industrial activities and increased human population have made wastewater streams not entirely amenable to conventional treatment methods. Anaerobic digestion (AD) can treat such wastewaters with the advantage of bioresource recovery. However, the presence of solids and recalcitrant compounds in most wastewater streams may affect the AD process. Thus, combining AD with advanced oxidation processes (AOPs) such as ozonolysis is necessary. Ozonolysis can improve the biodegradability of wastewater substrates or eliminate biorecalcitrant pollutants that escape the AD process. This study combined ozonolysis with AD to treat waste activated sludge (WAS) and distillery wastewater (DWW). When applied as a pre-treatment, ozonolysis caused the rigid cell walls in WAS to rupture and solubilised the extracellular polymeric substances (EPS), leading to increased biodegradability. For the DWW, ozonolysis pre-treatment reduced the biorecalcitrant aromatic compounds to simple aliphatic compounds, thereby increasing biodegradability. In the ensuing anaerobic process, the WAS pre-treatment improved TSS and COD reductions and a 230% increase in cumulative biogas production. For the DWW, the ozonolysis pre-treatment did not significantly impact COD reduction or biogas production; however, ozonolysis as a post-treatment removed the color causing biorecalcitrant melanoidins from the anaerobically digested effluent and solubilised the sludge (TSS) washed out from the AD unit. Therefore, the AD-ozonolysis process configuration depends on the substrate being treated. Ozonolysis is best applied pre-AD for WAS treatment and post-AD for DWW.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75075722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract Recently, many studies have been carried out on developing green composites that are eco-friendly and more sustainable compared to fuel-derived composites. Thermoplastic starch (TPS) is one of the potential biopolymer materials that can be used as food packaging materials, pharmaceuticals and many other applications. Sago (Metroxylon sagu) is unlike other starch-based composite such as cassava and corn, which are highly utilized and popular option sources for variety applications in industries. This renewable starch can be a competitive starch source like other starches if rigorous scientific research study is conducted to explore other findings, which might be important for its production and usage in various industries. Research studies related to sago TPS are still lacked, and it is difficult to compare its performance with TPS made from other starches as its preparation differs based on the starch source. The TPS composite generally exhibits low mechanical strength and poor barrier properties. Reinforcing sago TPS nanocomposites with nanocellulose (NC) is expected to enhance its mechanical and barrier properties. This book chapter covers the overview of characteristics and extraction of sago from its pith as well as its usage to make thermoplastic starch composite. The characteristics of sago TPS nanocomposite reinforced with nanocellulose (NC) is also discussed based on a few research studies due to its published research findings are still limited.
{"title":"Review on sago thermoplastic starch composite films reinforced with nanocellulose","authors":"D. N. Jimat, Y. A. Nor, N. I. M. Puad","doi":"10.1515/psr-2022-0016","DOIUrl":"https://doi.org/10.1515/psr-2022-0016","url":null,"abstract":"Abstract Recently, many studies have been carried out on developing green composites that are eco-friendly and more sustainable compared to fuel-derived composites. Thermoplastic starch (TPS) is one of the potential biopolymer materials that can be used as food packaging materials, pharmaceuticals and many other applications. Sago (Metroxylon sagu) is unlike other starch-based composite such as cassava and corn, which are highly utilized and popular option sources for variety applications in industries. This renewable starch can be a competitive starch source like other starches if rigorous scientific research study is conducted to explore other findings, which might be important for its production and usage in various industries. Research studies related to sago TPS are still lacked, and it is difficult to compare its performance with TPS made from other starches as its preparation differs based on the starch source. The TPS composite generally exhibits low mechanical strength and poor barrier properties. Reinforcing sago TPS nanocomposites with nanocellulose (NC) is expected to enhance its mechanical and barrier properties. This book chapter covers the overview of characteristics and extraction of sago from its pith as well as its usage to make thermoplastic starch composite. The characteristics of sago TPS nanocomposite reinforced with nanocellulose (NC) is also discussed based on a few research studies due to its published research findings are still limited.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82124455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. H. Nordin, R. A. Ilyas, N. Ngadi, Nurul Huda Baharuddin, Muhammad Luqman Nordin, Mohammad Saifulddin Mohd Azami
Abstract The starch-based materials such as thermoplastic starch film are a promising alternative to non-renewable petroleum-based plastics. The development of an alternative conventional plastic from bio-based materials has gained great interest following its biodegradable, non-hazardous and renewable advantages. Following that, horse chestnut is an exciting source of starch for producing thermoplastic starch film. Nonetheless, the thermoplastic starch film is weak in strength and easily affected by water due to its highly hydrophilic property, thus limiting its practicability. In this regard, the additions of nanocellulose into thermoplastic starch have shown drastic improvement in its mechanical properties and water permeability of the film. This chapter discusses the potential of nanocellulose reinforced plasticized starch from horse chestnut as a replacement for petroleum-based plastic in packaging applications.
{"title":"Horse chestnut thermoplastic starch nanocomposite films reinforced with nanocellulose","authors":"A. H. Nordin, R. A. Ilyas, N. Ngadi, Nurul Huda Baharuddin, Muhammad Luqman Nordin, Mohammad Saifulddin Mohd Azami","doi":"10.1515/psr-2022-0028","DOIUrl":"https://doi.org/10.1515/psr-2022-0028","url":null,"abstract":"Abstract The starch-based materials such as thermoplastic starch film are a promising alternative to non-renewable petroleum-based plastics. The development of an alternative conventional plastic from bio-based materials has gained great interest following its biodegradable, non-hazardous and renewable advantages. Following that, horse chestnut is an exciting source of starch for producing thermoplastic starch film. Nonetheless, the thermoplastic starch film is weak in strength and easily affected by water due to its highly hydrophilic property, thus limiting its practicability. In this regard, the additions of nanocellulose into thermoplastic starch have shown drastic improvement in its mechanical properties and water permeability of the film. This chapter discusses the potential of nanocellulose reinforced plasticized starch from horse chestnut as a replacement for petroleum-based plastic in packaging applications.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85714984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Olajide, M. Abdul-Hammed, I. Bello, I. O. Adedotun, Tolulope Irapada Afolabi
Abstract Colorectal cancer is the third most deadly cancer globally. Drug resistance and attendant side effects make the available standard anti-colorectal cancer drugs against target receptors inefficient. Phytochemicals from medicinal plants are safer, cheaper, effective, and heal diseases from the cellular level. This study is aimed at identifying potential inhibitors of thymidylate synthase (TS) and nuclear factor kappa-B (NF–κB) target receptors from Capsicum annuum towards the development of new therapeutic drugs against colorectal cancer via in silico approach. One hundred and fifty (150) ligands previously reported from Capsicum annuum were downloaded from the PubChem database and were subjected to chemo-informatics analyses such as ADMET, drug-likeness, oral bioavailability, bioactivity, and PASS prediction to ascertain their therapeutic and safety profile before docking. The ligands that passed the analyses were docked against TS and NF–κB in duplicate using a creditable docking tool (PyRx). Raltitrexed and emetine were used as the standard drug inhibitors for TS and NF–κB, respectively. The results obtained from this study showed that feruloyl-beta-D-glucose (8.45 kcal/mol), 5-O-caffeoylquinic acid (−8.40 kcal/mol), 5-O-caffeoylquinic acid methyl ester (−7.89 kcal/mol), feruloyl hexoside (−7.40 kcal/mol), O-glucopyranoside (−7.55 kcal/mol), and quercetin (−7.00 kcal/mol) shared the same binding pocket with TS while feruloyl-beta-D-glucose (−7.00 kcal/mol), chlorogenic acid (−6.90 kcal/mol), 5-O-caffeoylquinic acid (−6.90 kcal/mol) and feruloyl hexoside (−6.50 kcal/mol) shared the same pocket with NF–κB. These compounds were selected as best hits due to their excellent inhibitory efficiency and chemoinformatic profiles. Thus, the compounds may function as prospective lead compounds for developing a new anti-colorectal cancer drug.
结直肠癌是全球第三大致命癌症。耐药和随之而来的副作用使得针对靶受体的标准抗结直肠癌药物效率低下。药用植物中的植物化学物质更安全、更便宜、更有效，能从细胞层面治愈疾病。本研究旨在通过芯片技术从辣椒中寻找胸腺苷酸合成酶(TS)和核因子κ b (NF -κB)靶受体的潜在抑制剂，以开发新的结直肠癌治疗药物。从PubChem数据库中下载了150个先前报道的辣椒配体，并进行了化学信息学分析，如ADMET、药物相似性、口服生物利用度、生物活性和PASS预测，以确定对接前它们的治疗性和安全性。通过分析的配体使用可靠的对接工具(PyRx)分别与TS和NF -κB对接。以雷替曲塞和艾美汀分别作为TS和NF -κB的标准药物抑制剂。结果表明:阿魏酰- β - d -葡萄糖(8.45 kcal/mol)、5- o -咖啡酰奎宁酸(- 8.40 kcal/mol)、5- o -咖啡酰奎宁酸甲酯(- 7.89 kcal/mol)、阿魏酰己糖(- 7.40 kcal/mol)、o -葡萄糖苷(- 7.55 kcal/mol)和槲皮素(- 7.00 kcal/mol)与TS具有相同的结合袋;阿魏酰- β - d -葡萄糖(- 7.00 kcal/mol)、绿原酸(- 6.90 kcal/mol)、阿魏酰- β - d -葡萄糖(- 7.00 kcal/mol)、阿魏酰- β - d -葡萄糖(- 7.00 kcal/mol)、阿魏酰- β - d -葡萄糖(- 7.00 kcal/mol)、阿魏酰- β - d -葡萄糖(- 7.00 kcal/mol)、阿魏酰- β - d -葡萄糖(- 7.00 kcal/mol)、5- o -咖啡酰奎宁酸(- 6.90 kcal/mol)和阿魏酰己糖(- 6.50 kcal/mol)与NF -κB共用一个口袋。这些化合物因其优异的抑制效率和化学信息学特征而被选为最佳hit。因此，该化合物可作为开发新型抗结直肠癌药物的前瞻性先导化合物。
{"title":"Identification of potential inhibitors of thymidylate synthase (TS) (PDB ID: 6QXH) and nuclear factor kappa-B (NF–κB) (PDB ID: 1A3Q) from Capsicum annuum (bell pepper) towards the development of new therapeutic drugs against colorectal cancer (CRC)","authors":"M. Olajide, M. Abdul-Hammed, I. Bello, I. O. Adedotun, Tolulope Irapada Afolabi","doi":"10.1515/psr-2022-0281","DOIUrl":"https://doi.org/10.1515/psr-2022-0281","url":null,"abstract":"Abstract Colorectal cancer is the third most deadly cancer globally. Drug resistance and attendant side effects make the available standard anti-colorectal cancer drugs against target receptors inefficient. Phytochemicals from medicinal plants are safer, cheaper, effective, and heal diseases from the cellular level. This study is aimed at identifying potential inhibitors of thymidylate synthase (TS) and nuclear factor kappa-B (NF–κB) target receptors from Capsicum annuum towards the development of new therapeutic drugs against colorectal cancer via in silico approach. One hundred and fifty (150) ligands previously reported from Capsicum annuum were downloaded from the PubChem database and were subjected to chemo-informatics analyses such as ADMET, drug-likeness, oral bioavailability, bioactivity, and PASS prediction to ascertain their therapeutic and safety profile before docking. The ligands that passed the analyses were docked against TS and NF–κB in duplicate using a creditable docking tool (PyRx). Raltitrexed and emetine were used as the standard drug inhibitors for TS and NF–κB, respectively. The results obtained from this study showed that feruloyl-beta-D-glucose (8.45 kcal/mol), 5-O-caffeoylquinic acid (−8.40 kcal/mol), 5-O-caffeoylquinic acid methyl ester (−7.89 kcal/mol), feruloyl hexoside (−7.40 kcal/mol), O-glucopyranoside (−7.55 kcal/mol), and quercetin (−7.00 kcal/mol) shared the same binding pocket with TS while feruloyl-beta-D-glucose (−7.00 kcal/mol), chlorogenic acid (−6.90 kcal/mol), 5-O-caffeoylquinic acid (−6.90 kcal/mol) and feruloyl hexoside (−6.50 kcal/mol) shared the same pocket with NF–κB. These compounds were selected as best hits due to their excellent inhibitory efficiency and chemoinformatic profiles. Thus, the compounds may function as prospective lead compounds for developing a new anti-colorectal cancer drug.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"37 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73956868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
S. M. Sapuan, M. M. Harussani, Aleif Hakimi Ismail, Noorashikin Soh Zularifin Soh, Mohamad Irsyad Mohamad Azwardi, V. Siddiqui
Abstract In the last few years, there are rising numbers for environmental waste due to factors such as plastic based food packaging that really need to get enough attention in order to prevent the issue from becoming worse and bringing disaster to society. Thus, the uses of plastic composite materials need to be reduced and need to be replaced with materials that are natural and have low degradation to preserve nature. Based on the statistics for the global, the production of plastic has been roughly calculated for passing 400 million metric tons every year and has a high probability of approaching the value of 500 million metric tons at the year of 2025 and this issue needs to be counteracted as soon as possible. Due to that, the increasing number for recent development of natural biopolymer, as an example starch, has been investigated as the substitution for the non-biodegradable biopolymer. Besides, among all biodegradable polymers, starch has been considered as promising substitution polymer due to its renewability, easy availability, and biodegradability. Apart from that, by the reinforcement from the nanocellulose, starch fiber has an increasing in terms of mechanical, barrier and thermal properties. In this review paper, we will be discussing the up-to-date development of nanocellulose fiber reinforced starch biopolymer composites throughout this century.
{"title":"Development of nanocellulose fiber reinforced starch biopolymer composites: a review","authors":"S. M. Sapuan, M. M. Harussani, Aleif Hakimi Ismail, Noorashikin Soh Zularifin Soh, Mohamad Irsyad Mohamad Azwardi, V. Siddiqui","doi":"10.1515/psr-2022-0007","DOIUrl":"https://doi.org/10.1515/psr-2022-0007","url":null,"abstract":"Abstract In the last few years, there are rising numbers for environmental waste due to factors such as plastic based food packaging that really need to get enough attention in order to prevent the issue from becoming worse and bringing disaster to society. Thus, the uses of plastic composite materials need to be reduced and need to be replaced with materials that are natural and have low degradation to preserve nature. Based on the statistics for the global, the production of plastic has been roughly calculated for passing 400 million metric tons every year and has a high probability of approaching the value of 500 million metric tons at the year of 2025 and this issue needs to be counteracted as soon as possible. Due to that, the increasing number for recent development of natural biopolymer, as an example starch, has been investigated as the substitution for the non-biodegradable biopolymer. Besides, among all biodegradable polymers, starch has been considered as promising substitution polymer due to its renewability, easy availability, and biodegradability. Apart from that, by the reinforcement from the nanocellulose, starch fiber has an increasing in terms of mechanical, barrier and thermal properties. In this review paper, we will be discussing the up-to-date development of nanocellulose fiber reinforced starch biopolymer composites throughout this century.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89530427","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. A. Alabi, I. Abdulsalami, Kazeem O. Ajibola, N. A. Sadiku, Mariam D. Adeoye, A. Lawal, R. Adigun
Abstract This research investigated the design, chemical modification, characterization and biocidal evaluation of waxes. Tallow (animal fat), bee-wax (insect) and shea butter (plant fat) were first converted to carboxylates by metathesis and later transformed into urea and thiourea complexes. The transformation was monitored using UV–visible, FT-IR and scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy. They were also screened for biocidal activities using two white rots (Pleurotus sajor-cajor and Pleurotus oestratus), two brown rots (Sclerotium rolfsii and Rhizotonia solanii) and a soft rot (Cheatomium globosum). The UV–visible absorption peaks shifted to a longer wavelength for the complexes in relation to the carboxylates signifying lower energy and higher activities. Carboxylates showed very sharp peaks around 1700 cm−1 attributable to the carbonyl functional group (C=O) (Scheme 1), the carbonyl (C=O) peaks in the carboxylates were replaced by the appearance of another peaks in the urea and thiourea complexes at around 1600 cm−1 attributable to azomethine (C=N) (Scheme 2 and 3). None of the surface morphologies of the samples (crystalline) is identical. This result further confirmed the formation of the products. The result of fungi assay showed that tallow based carboxylate, urea and thiourea complexes greatly inhibited the growth of all the fungi species used. However, bees wax based carboxylate and its complexes as well as plant-fat based carboxylate and its complexes could not inhibit the growth of Sclerotium rolfsii. For insect and plant-based urea complexes, there were tiny growths (pin head) seen on the plates inoculated with P. sajor-cajor and P. oestratus, respectively. The findings of this work showed that urea and thiourea complexes performed better than carboxylates in fungi inhibition. Tallow-based products (carboxylates, urea and thiourea) showed the greatest anti-fungi properties.
{"title":"Protection of wood against bio-attack and research of new effective and environmental friendly fungicides","authors":"K. A. Alabi, I. Abdulsalami, Kazeem O. Ajibola, N. A. Sadiku, Mariam D. Adeoye, A. Lawal, R. Adigun","doi":"10.1515/psr-2022-0283","DOIUrl":"https://doi.org/10.1515/psr-2022-0283","url":null,"abstract":"Abstract This research investigated the design, chemical modification, characterization and biocidal evaluation of waxes. Tallow (animal fat), bee-wax (insect) and shea butter (plant fat) were first converted to carboxylates by metathesis and later transformed into urea and thiourea complexes. The transformation was monitored using UV–visible, FT-IR and scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy. They were also screened for biocidal activities using two white rots (Pleurotus sajor-cajor and Pleurotus oestratus), two brown rots (Sclerotium rolfsii and Rhizotonia solanii) and a soft rot (Cheatomium globosum). The UV–visible absorption peaks shifted to a longer wavelength for the complexes in relation to the carboxylates signifying lower energy and higher activities. Carboxylates showed very sharp peaks around 1700 cm−1 attributable to the carbonyl functional group (C=O) (Scheme 1), the carbonyl (C=O) peaks in the carboxylates were replaced by the appearance of another peaks in the urea and thiourea complexes at around 1600 cm−1 attributable to azomethine (C=N) (Scheme 2 and 3). None of the surface morphologies of the samples (crystalline) is identical. This result further confirmed the formation of the products. The result of fungi assay showed that tallow based carboxylate, urea and thiourea complexes greatly inhibited the growth of all the fungi species used. However, bees wax based carboxylate and its complexes as well as plant-fat based carboxylate and its complexes could not inhibit the growth of Sclerotium rolfsii. For insect and plant-based urea complexes, there were tiny growths (pin head) seen on the plates inoculated with P. sajor-cajor and P. oestratus, respectively. The findings of this work showed that urea and thiourea complexes performed better than carboxylates in fungi inhibition. Tallow-based products (carboxylates, urea and thiourea) showed the greatest anti-fungi properties.","PeriodicalId":20156,"journal":{"name":"Physical Sciences Reviews","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89085500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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