Pub Date : 2024-10-07DOI: 10.1140/epjb/s10051-024-00781-6
Rakhi Kumari, Pradeep Bhadola, Nivedita Deo
We present a novel method for analyzing the structural organization of protein families by integrating random matrix theory (RMT) and network theory with the physiochemical properties of amino acids and multiple sequence alignment. RMT distinguishes significant interactions between amino acids from background noise, pinpointing coevolving positions likely crucial for protein structure and function. This property-based approach captures both short and long-range correlations, unlike previous methods that treat amino acids as mere characters. The eigenvector components of eigenvalues outside the RMT bound deviate from typical RMT observations, offering critical system information. We quantify the information content of each eigenvector using an entropic estimate, showing that the smallest eigenvectors are highly localized and informative. These eigenvectors form clusters of biologically and structurally significant positions, validated by experiments. By creating networks of amino acid interactions for each property, we uncover key motifs and interactions. This method enhances our understanding of protein evolution, interactions, and potential targets to modulate enzymatic actions. We study two protein families Cadherin-4 and Betalactamase families which display two extreme characteristics one nearly random and the other very structured or organised.
{"title":"Statistical analysis of proteins families: a network and random matrix approach","authors":"Rakhi Kumari, Pradeep Bhadola, Nivedita Deo","doi":"10.1140/epjb/s10051-024-00781-6","DOIUrl":"10.1140/epjb/s10051-024-00781-6","url":null,"abstract":"<p>We present a novel method for analyzing the structural organization of protein families by integrating random matrix theory (RMT) and network theory with the physiochemical properties of amino acids and multiple sequence alignment. RMT distinguishes significant interactions between amino acids from background noise, pinpointing coevolving positions likely crucial for protein structure and function. This property-based approach captures both short and long-range correlations, unlike previous methods that treat amino acids as mere characters. The eigenvector components of eigenvalues outside the RMT bound deviate from typical RMT observations, offering critical system information. We quantify the information content of each eigenvector using an entropic estimate, showing that the smallest eigenvectors are highly localized and informative. These eigenvectors form clusters of biologically and structurally significant positions, validated by experiments. By creating networks of amino acid interactions for each property, we uncover key motifs and interactions. This method enhances our understanding of protein evolution, interactions, and potential targets to modulate enzymatic actions. We study two protein families Cadherin-4 and Betalactamase families which display two extreme characteristics one nearly random and the other very structured or organised.</p>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142410408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-04DOI: 10.1140/epjb/s10051-024-00783-4
Mayyadah H. Mohsin, Khawla S. Khashan, Ghassan M. Sulaiman
This study thoroughly investigates the characterization of cubic gadolinium oxide nanoparticles (c-Gd2O3NPs) synthesized via laser ablation and fragmentation in liquid, emphasizing the impact of laser fluence and wavelength on nanoparticle morphology. FESEM and HRTEM analyses reveal significant morphological variations, including the formation of nanotubes and nanoflakes, in response to different laser fluences. XRD analysis identifies distinct phases of c-Gd2O3NPs, with prominent reflections in the cubic phase and additional reflections in the monoclinic phase. Utilizing a second harmonic wavelength (532 nm) results in higher laser fluence compared to the fundamental wavelength (1064 nm), leading to more efficient ablation and fragmentation. This produces smaller, more uniform nanoparticles with enhanced optical properties, such as increased absorbance and transmittance. The 532 nm wavelength notably influences NPs size and shape, resulting in smaller particles with controlled size distribution and morphology. This modification leads to distinct absorbance and transmittance characteristics, often causing a blue shift in the absorption edge due to the quantum confinement effect, where the energy band gap increases as particle size decreases. These findings contribute to refining the synthesis process and enhancing the understanding of the mechanisms governing NP formation. This knowledge guides the synthesis procedure and harnesses tailored features of c-Gd2O3NPs for improved performance in various applications.
{"title":"Effect of laser parameters on the structural properties of gadolinium oxide nanoparticles synthesis via pulsed laser ablation in liquid","authors":"Mayyadah H. Mohsin, Khawla S. Khashan, Ghassan M. Sulaiman","doi":"10.1140/epjb/s10051-024-00783-4","DOIUrl":"10.1140/epjb/s10051-024-00783-4","url":null,"abstract":"<div><p>This study thoroughly investigates the characterization of cubic gadolinium oxide nanoparticles (c-Gd<sub>2</sub>O<sub>3</sub>NPs) synthesized via laser ablation and fragmentation in liquid, emphasizing the impact of laser fluence and wavelength on nanoparticle morphology. FESEM and HRTEM analyses reveal significant morphological variations, including the formation of nanotubes and nanoflakes, in response to different laser fluences. XRD analysis identifies distinct phases of c-Gd<sub>2</sub>O<sub>3</sub>NPs, with prominent reflections in the cubic phase and additional reflections in the monoclinic phase. Utilizing a second harmonic wavelength (532 nm) results in higher laser fluence compared to the fundamental wavelength (1064 nm), leading to more efficient ablation and fragmentation. This produces smaller, more uniform nanoparticles with enhanced optical properties, such as increased absorbance and transmittance. The 532 nm wavelength notably influences NPs size and shape, resulting in smaller particles with controlled size distribution and morphology. This modification leads to distinct absorbance and transmittance characteristics, often causing a blue shift in the absorption edge due to the quantum confinement effect, where the energy band gap increases as particle size decreases. These findings contribute to refining the synthesis process and enhancing the understanding of the mechanisms governing NP formation. This knowledge guides the synthesis procedure and harnesses tailored features of c-Gd<sub>2</sub>O<sub>3</sub>NPs for improved performance in various applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":787,"journal":{"name":"The European Physical Journal B","volume":"97 10","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-04DOI: 10.1140/epjb/s10051-024-00790-5
M. M. Babayev, B. H. Mehdyev, Kh. B. Sultanova
Thermopower in a semiconductor quantum well with the modified Pöschl–Teller confining potential is calculated, taking into account the drag of electrons by phonons. Based on the obtained theoretical results, the temperature dependence of thermopower in a (text{GaAs}/{text{Al}}_{x}{text{Ga}}_{1-x}As) quantum well at low temperatures has been studied. Numerical calculations show that our theoretical results are in good agreement with experimental ones. This indicates that the modified Pöschl–Teller potential describes well the confinement potential in semiconductor quantum wells.