Remora Namib Beetle Optimization Enabled Deep Learning for Severity of COVID-19 Lung Infection Identification and Classification Using CT Images.

Coronavirus disease 2019 (COVID-19) has seen a crucial outburst for both females and males worldwide. Automatic lung infection detection from medical imaging modalities provides high potential for increasing the treatment for patients to tackle COVID-19 disease. COVID-19 detection from lung CT images is a rapid way of diagnosing patients. However, identifying the occurrence of infectious tissues and segmenting this from CT images implies several challenges. Therefore, efficient techniques termed as Remora Namib Beetle Optimization_ Deep Quantum Neural Network (RNBO_DQNN) and RNBO_Deep Neuro Fuzzy Network (RNBO_DNFN) are introduced for the identification as well as classification of COVID-19 lung infection. Here, the pre-processing of lung CT images is performed utilizing an adaptive Wiener filter, whereas lung lobe segmentation is performed employing the Pyramid Scene Parsing Network (PSP-Net). Afterwards, feature extraction is carried out wherein features are extracted for the classification phase. In the first level of classification, DQNN is utilized, tuned by RNBO. Furthermore, RNBO is designed by merging the Remora Optimization Algorithm (ROA) and Namib Beetle Optimization (NBO). If a classified output is COVID-19, then the second-level classification is executed using DNFN for further classification. Additionally, DNFN is also trained by employing the newly proposed RNBO. Furthermore, the devised RNBO_DNFN achieved maximum testing accuracy, with TNR and TPR obtaining values of 89.4%, 89.5% and 87.5%.

Study on Asymmetric Vibrational Coherent Magnetic Transitions and Origin of Fluorescence in Symmetric Structures.

In this work, the physical mechanisms of three highly efficient circularly polarized luminescent materials are introduced. The UV-vis spectra are plotted; the transition properties of their electrons at the excited states are investigated using a combination of the transition density matrix (TDM) and the charge difference density (CDD); combining the distribution of electron clouds, the essence of charge transfer excitation in three structures is explained. The resonance Raman spectrum of the three structures at the S1 and S2 excited states are calculated. The M, M-4 and M, M-5 structures are found to produce novel chirality by electronic circular dichroism (ECD) spectrum, and the reasons for the chirality of the M, M-4 and M, M-5 structures are discussed by analyzing the density of transition electric/magnetic dipole moments (TEDM/TMDMs) in different orientations. Finally, the Raman optical activity (ROA) of M, M-4, and M, M-5 are calculated, and the spectra are plotted. This study will provide guidance for the application of carbon-based nanomaterials in organic electronic devices, solar cells, and optoelectronics.

Two new species of the butterflyfish genus Roa (Perciformes: Chaetodontidae).

Two new species of Roa (Chaetodontidae) are described. Roa semilunaris sp. nov., based on six specimens from the Mascarene Ridge (south-western Indian Ocean), is most similar to Roa jayakari (Norman, 1939), distributed in the Red Sea and the northern Indian Ocean, in having scales on the upper jaw, interrupted pale lines within the second dark body band, and similar coloration and shape of the pelvic fin. However, the former is readily distinguished from R. jayakari by a wider whitish interspace between the second and third black bands [width of interspace at lateral line level 15.9%-18.5% of standard length (SL) in R. semilunaris sp. nov. (vs. 5.1%-8.5% of SL in R. jayakari)], with 9 or 10 pored lateral-line scales in the interspace (vs. 3-5); an oval or semicircular ocellated blotch on the soft-rayed portion of the dorsal fin (vs. a circular blotch); the head higher and longer [head length 35.0%-36.7% of SL (vs. 40.8%-44.1% of SL), head height 48.1%-50.5% of SL (vs. 52.0%-56.9% of SL)], and postorbital length 14.0%-15.1% of SL (vs. 17.0%-20.5% of SL). Roa uejoi sp. nov., based on three specimens from Guam (Mariana Islands), is most similar to Roa excelsa (Jordan, 1921) (now restricted to the Hawaiian Islands and Johnston Island), but is distinguished from the latter by having a circular dorsal-fin ocellated spot (vs. spot distinctly oval in the latter) and a much more elongate, filamentous first pelvic-fin soft ray, of length 119.0%-123.4% of 2nd ray (vs. not obviously filamentous, 104.9%-105.8%). A key to the eight valid species of Roa is provided.

Effects of Printing Parameters on Properties of FDM 3D Printed Residue of Astragalus/Polylactic Acid Biomass Composites.

In order to develop a new kind of filament material for the fused deposition modeling (FDM) 3D printing, the residue of Astragalus (ROA), one of the most important Chinese herbal medicines, and polylactic acid were chosen as the raw materials to FDM 3D print biomass composite specimens, the effects of the printing parameters on the properties of the specimens were investigated. The results indicated that the mechanical properties and thermal stability of the printed specimen were affected obviously by the parameters while the melting and crystallization behavior of the specimens were little affected. For the wettability, it was also little affected by the printing parameter except for the printing speed. Increasing the printing temperature and the filling density or reducing the printing speed and the layer thickness could improve both the mechanical properties and the thermal stability of the FDM 3D printed PLA/ROA composite specimen; reducing the deposition angle could also improve the mechanical properties while having little effect on the thermal stability of the specimen.

Exploring the performance of responsible companies in G20 during the COVID-19 outbreak.

An uphill question of whether Environmental, Social, and Governance (ESG) directly impact firms' financial performance (FP) continues to vacillate between two opponent streams. In the present study, we argue that COVID-19 is an extreme event where the effect of ESG sharply manifests. We rely on cross-sectional data in the context of G20 countries for the year 2020. To avoid biased results due to governments support, we integrate four novel metrics provided by the Oxford Coronavirus Government Response Tracker (OxCGRT). We run sequential regressions (OLS; and quartiles to account for the Ingrained Income Bias (IIB) and ESG scores). We also perform robustness tests and account for the interaction between ESG and cash level. Our models were subsequently replicated for each ESG pillar. Findings indicate that ESG is beneficial during COVID-19, but the reward appears to be closely tied up to specific aspects of ESG, income level, and firm-specific variables. Results contribute to the burgeoning literature on ESG during COVID-19 by reflecting on firms' key attributes and the preponderance of government support.

Enantiopure cryptophane derivatives: Synthesis and chiroptical properties.

This review addresses the synthesis of enantiopure cryptophane and the study of their chiroptical properties. Cryptophane derivatives represent an important class of macrocyclic compounds that can bind a large range of species in solution under different conditions. The overwhelming majority of these host molecules is chiral, and their chiroptical properties have been thoroughly investigated. The first part of this review is dedicated to the optical resolution and the synthesis of enantiopure cryptophane derivatives. In a second part, the study of the chiroptical properties of these molecular hosts by different techniques such as electronic and vibrational circular dichroism and Raman optical activity is detailed. These techniques allow the determination of the absolute configuration of cryptophane derivatives and provide useful information about their conformation in different conditions.

Vibrational optical activity: From discovery and development to future challenges.

Vibrational optical activity (VOA) consisting of infrared vibrational circular dichroism (VCD) and vibrational Raman optical activity (ROA) was predicted, discovered, and confirmed between 1971 and 1975. My path to VOA was mentored by three pioneers of chirality and vibrational spectroscopy: Professors Albert Moscowitz, Warner L. Peticolas, and Philip J. Stephens, and while they are no longer alive today, the Chirality Medal, my award address, and this paper are dedicated to each of them. Since the discovery of VOA, a number of key advances have made possible the current era of widespread applications. The principal instrumental advances were Fourier-transform VCD (FT-VCD) and multichannel charge coupled detector (CCD) ROA. Computational advances include the first complete quantum chemistry formulation of VCD leading to the magnetic field perturbation (MFP) and the nuclear velocity perturbation (NVP) theories. The strength of VOA is the comparison between measured and calculated spectra that enables the determination of absolute configuration and solution-state conformations. More recently, VCD has uncovered supramolecular chirality in amyloid fibrils and ROA to high-order protein structure. Future challenges for VOA include describing the effects of weak intermolecular interactions, transfer of chirality, solvent effects, supramolecular chirality, and the generation of nuclear velocity electron current density.

Resonance Raman Optical Activity Spectroscopy in Probing Structural Changes Invisible to Circular Dichroism Spectroscopy: A Study on Truncated Vitamin B12 Derivatives.

This work demonstrates resonance Raman optical activity (RROA) spectra of three truncated vitamin B12 derivatives modified within the nucleotide loop. Since truncated cobalamins possess sufficiently high rotational strength in the range of ROA excitation (532 nm), it was possible to record their spectra in the resonance condition. They showed several distinct spectral features allowing for the distinguishing of studied compounds, in contrast to other methods, i.e., UV-Vis absorption, electronic circular dichroism, and resonance Raman spectroscopy. The improved capacity of the RROA method is based here on the excitation of molecules via more than two electronic states, giving rise to the bisignate RROA spectrum, significantly distinct from a parent Raman spectrum. This observation is an important step in the dissemination of using RROA spectroscopy in studying the complex structure of corrinoids which may prove crucial for a better understanding of their biological role.

The putative ABC transporter encoded by the orf19.4531 plays a role in the sensitivity of Candida albicans cells to azole antifungal drugs.

ATP-binding cassette (ABC) transporters constitute a large superfamily of integral membrane proteins in prokaryotic and eukaryotic cells. In the human fungal pathogen Candida albicans, there are 28 genes encoding ABC transporters and many of them have not been characterized so far. The orf19.4531 (also known as IPF7530) encodes a putative ABC transporter. In this study, we have demonstrated that disruption of orf19.4531 causes C. albicans cells to become tolerant to azoles, but not to polyene antifungals and terbinafine. Therefore, the protein encoded by orf19.4531 is involved in azole sensitivity and we name it as ROA1, the regulator of azole sensitivity 1 gene. Consistently, we show that the expression of ROA1 is responsive to treatment of either fluconazole or ketoconazole inC. albicans In addition, through a GFP tagging approach, Roa1 is localized in a small punctuate compartment adjacent to the vacuolar membrane. However, ROA1 is not essential for the in vitro filamentation of C. albicans cells.

Investigation of DMSO-induced conformational transitions in human serum albumin using two-dimensional raman optical activity spectroscopy.

Recent Raman and Raman optical activity (ROA) results have demonstrated that dimethyl sulfoxide (DMSO) induces the selective conversion of α-helix motifs into the poly(L-proline) II (PPII) helix conformation in an array of proteins, while ß-sheets remain mostly unaffected. Human serum albumin (HSA), a highly α-helical protein, underwent the most dramatic changes and, therefore, was selected as a model for further investigations into the mechanism of this conformational change. Herein we report the use of two-dimensional ROA correlation analysis applying synchronous, autocorrelation, and moving windows approaches in order to understand the conformational transitions in HSA as a function of DMSO concentration. Our results indicate that the destabilization of native α-helix starts at DMSO concentrations as little as 20% in water (v/v), with the transition to PPII helix being complete at ~80% DMSO. These results clearly indicate that any protein preparation containing relatively low concentrations of DMSO should consider possible disruptions in α-helical domains.

Comprehensive chiroptical study of proline-containing diamide compounds.

The continuously growing interest in the understanding of peptide folding led to the conformational investigation of methylamides of N-acetyl-amino acids as diamide models. Here we report the results of detailed conformational analysis on Ac-Pro-NHMe and Ac-ß-HPro-NHMe diamides. These compounds were analyzed by experimental and computational methods, the conformational distributions obtained by Density Functional Theory (DFT) calculations for isolated and solvated diamide compounds are discussed. The conformational preference of proline-containing diamide compounds as a function of the ambience was observed by a number of chiroptical spectroscopic techniques, such as vibrational circular dichroism (VCD), electronic circular dichroism (ECD), Raman optical activity (ROA) spectroscopy, and additionally by single crystal X-ray diffraction analyses. Based on a comparison between Ac-Pro-NHMe and Ac-ß-HPro-NHMe, one can conclude that due to the greater conformational freedom of the ß-HPro derivative, Ac-ß-HPro-NHMe shows different behavior in solid- and solution-phase, as well. Ac-ß-HPro-NHMe tends to form cis Ac-ß-HPro amide conformation in water, dichloromethane, and acetonitrile in contrast to its α-Pro analog. On the other hand, the crystal structure of the ß-HPro compound cannot be related to any of the conformers obtained in vacuum and solution while the X-ray structure of Ac-Pro-NHMe was identified as tα(L)-, which is a trans Ac-Pro amide containing conformer also predominant in polar solvents.

Conformations and hydration of halopropionic acids studied by molecular dynamics and Raman optical activity.

Chiral 2-halopropionic acids and their derivatives were synthesized and their properties studied computationally using Raman and Raman optical activity (ROA) spectroscopy. For neat acids present as liquids small amount of water led to significant changes in the spectra, resulting even to flipping of some ROA band signs. We find this interesting for the role water plays in interpretation of vibrational optical activity spectra of biomolecules. Analysis of the results shows that when the water is present, it can change ROA band signs due to the changes in acidobasic equilibrium. Corresponding esters without acidic hydrogens do not exhibit such effects.

Probing solution conformations of l-DOPA: Integration of experiment and simulation via vibrational optical activity.

l-DOPA plays a critical role as a precursor to dopamine and is a standard treatment for Parkinson's disease. Recent research has highlighted the potential therapeutic advantages of deuterated l-DOPA analogs having a longer biological half-life. For their spectroscopic characterization, the in-detail characterization of l-DOPA itself is necessary. This article presents a thorough examination of the vibrational spectra of l-DOPA, with a particular emphasis on chirally sensitive VOA techniques. We successfully obtained high-quality Raman and ROA spectra of l-DOPA in its cationic form, under low pH conditions, and at a high concentration of 100 mg/ml. These spectra cover a broad spectral range, allowing for precise comparisons with theoretical simulations. We also obtained IR and VCD spectra, but they faced limitations due to the narrow accessible spectral region. Exploration of l-DOPA's conformational landscape revealed its intrinsic flexibility, with multiple coexisting conformations. To characterize these conformations, we employed two methods: one involved potential energy surface scans with implicit solvation, and the other utilized molecular dynamics simulations with explicit solvation. Comparing ROA spectra from different conformer groups and applying spectral decomposition proved crucial in determining the correct conformer ratios. The use of explicit solvation significantly improved the quality of the final simulated spectral profiles. The accurate determination of conformer ratios, rather than solely relying on the number of averaged spectra, played a crucial role in simulation accuracy. In conclusion, our study offers valuable insights into the structure and conformational behavior of l-DOPA and represents a valuable resource for subsequent spectroscopic studies of its deuterated analogs.

Higher Order Structure Characterization of Two Interdomain Disulfide Bond Variants of a Bispecific Monoclonal Antibody.

Characterization and understanding of protein higher order structure (HOS) is essential at all stages of biologics development. Here, two folding variants of a bispecific monoclonal antibody, the correctly folded form and an alternative configuration with reduced potency, were characterized by several HOS characterization techniques. Specifically, differential scanning calorimetry (DSC), circular dichroism (CD), Fourier-transform infrared spectroscopy (FTIR), Raman and Raman optical activity (ROA) spectroscopy were used together to elucidate the impacts of disulfide bond scrambling in the fused scFv domains on the structure and thermal stability of the antibody. This study illustrates the importance of selecting appropriate biophysical characterization techniques based on the nature and magnitude of the HOS change.

Regulating charge transfer for enhanced PAA activation over sulfur-doped magnetic CoFe2O4: A novel strategy for simultaneous micropollutants degradation and bacteria inactivation.

Micropollutants and bacteria are prevalent pollutants in wastewater, posing significant risks to ecosystems and human health. As peracetic acid (PAA) is being increasingly used as a disinfectant, activation of PAA by low-cost and high-performance activators is a promising strategy for wastewater treatment. In this study, the sulfur-doped magnetic CoFe2O4 (SCFO) is successfully developed for efficient PAA activation to simultaneously decontaminate and disinfect wastewater. PAA/SCFO-0.3 exhibits exceptional performance, degrading 100 % of 8 µM sulfamethoxazole (SMX) with a first-pseudo reaction rate of 1.275 min-1, and achieving 5.3-log inactivation of Escherichia coli (E. coli) within 3 min at a PAA dosage of 0.2 mM and catalyst dosage of 0.025 g/L (initial pH 6.5). Scavenging experiments and electron paramagnetic resonance (EPR) analysis identify CH3C(O)O• and CH3C(O)OO• as the dominant reactive species for SMX degradation. The sulfur species in SCFO-0.3 facilitate Co2+ regeneration and regulate charge transfer, promoting PAA activation for SMX degradation. Moreover, the PAA/SCFO-0.3 system demonstrates operational feasibility over a broad range of water matrices and has excellent stability and reusability (maintaining 93 % removal of SMX after 5 cycles), demonstrating its potential for industrial applications. This study provides insights into enhancing PAA activation through sulfur doping in transition metal catalysts and highlights the practical applicability of the PAA/SCFO-0.3 system as an advanced alternative to conventional disinfection for simultaneous decontamination and disinfection in wastewater.

The asymmetry of (-)α-pinene as revealed from its raman optical activity spectrum.

An algorithm is employed to retrieve the differential bond polarizabilities of the C-C bonds from the Raman optical activity (ROA) spectrum of (-)α-pinene. (-)α-pinene possesses two asymmetric centers (carbon atoms) and a local mirror symmetry. These differential bond polarizabilities show the characteristics of the asymmetry around the asymmetric carbons with respect to the mirror reflection. This analysis is accompanied along with the ROA mode signatures and the calculated ß(G ')(2) and ß(A)(2) which show the ROA coupling mechanisms involving the electric/magnetic dipoles and the electric dipole/quadrupole, respectively.

Vitamin C promoted refractory organic contaminant elimination in the zero-valent iron/peracetic acid system: Efficiency, mechanism and effects of various parameters.

The conventional zero-valent iron/peracetic acid (ZVI/PAA) system is severely limited owing to the passivation of ZVI and the low recovery of Fe2+. In this study, a reducing agent, vitamin C (H2A), was used for the first time to enhance the ZVI/PAA system as a way to improve its degradation performance. Under optimal conditions, the removal efficiency of the H2A/ZVI/PAA system was 82.9%, while that of the H2A/PAA and ZVI/PAA systems were only 19.0% and 25.6%. Free radical quenching and electron paramagnetic experiments (EPR) confirmed that CH3C(O)O•, •OH and CH3C(O)OO• were the major active species for acid orange 7 (AO7) degradation with contributions of 9.7%, 75% and 14.4%, respectively. The degradation mechanism was proposed through UV-vis full-wavelength scanning and chemical oxygen demand (COD) experiments. The removal of AO7 was not affected in the presence of Cl-, SO42- and HCO3-, while inhibition occurred with humic acid. ZVI exhibited excellent catalytic properties and stability, and the removal efficiency of AO7 exceeded 70% after three cycles. Additionally, the H2A/ZVI/PAA system showed good ability to remove AO7 in well water, lake water, river water and reservoir water, and the elimination efficiency of MO, DCF and ACE also exceeded 70%. Overall, this study contributes new cognition for enhancing the ZVI/PAA system to degrade contaminants, which is expected to achieve a cleaner water environment.

Corporate social responsibilities, sustainable investment, and the future of green bond market: evidence from renewable energy projects in Morocco.

The study mainly focuses on identifying the links between corporate social responsibility disclosure activities and green bond investment performance utilizing GDP growth as a moderating variable in Morocco. The research is based on a unique technique combining a thorough literature review, market data analysis, and interviews with a vast spectrum of green bond market players. The data from 2015 to 2019 for the 450 Moroccan enterprises has been utilized to produce CSR and GDP growth rates based on a serial criterion. The data demonstrate that the more firms publicly disclose their CSR initiatives, and the better the financial outcomes. The relationship between CSR disclosure and green bond investment seems to be tempered by GDP considerably, while the effect of CSR on green bond investment Tobin's Q is dramatically lowered. As a consequence of the benefits that the business stands to get from CSR disclosure, legislators are moving in the direction of ensuring a long-term market. Overall, the issue of green bonds has a good influence on firms, may contribute to environmental development, encourages CSR and value creation, and helps to attract investors to some level. The research provided light on a strategy to measure CSR disclosure indices for emerging markets like Morocco. The results recommend that the business's management pay more attention to CSR disclosure activities owing to the positive advantage their firm may gain and suggest policymakers maintain a stable economic background for a sustainable market.

Do the trade credit influence firm performance in agro-industry? Evidence from Thailand.

This paper aims to examine the relationship between trade credit and corporate performance. Empirical evidence on the impact of trade credit investment on firm performance remains unclear. For agro firms, the implications of this relationship have not been thoroughly discussed. Using a panel sample consisting of publicly listed agro firms in Thailand for 2001-2020. The sample set consists of 51 Thai-listed firms with 708 firm-year observations. We employ panel ordinary least squares (OLS) regressions and GMM regressions to obtain the estimation results. We find that going to invest in trade credit increases operating performance significantly, which is what the commercial, financing, and transaction theories of trade credit predicted would happen. Furthermore, cost-benefit analysis should serve as a guide for firms' trade credit investment decisions. In particular, firms should be aware of the extra cost of trade credit investment and weigh it against the benefits of improved performance.

Profitability determining factors of banking sector: Panel data analysis of commercial banks in South Asian countries.

Aim of the article: The main purpose of this article was to investigate the impact of the determinants of profitability on the commercial banks in Asian countries. An Asian country like Bangladesh and India was selected as the research field. The present study also pursues to examine the impact of specific factors and macroeconomic factors on the profitability in the Bangladeshi and Indian private commercial banking sectors. Methods applied and analysis tools: The data were retrieved from the Annual Reports of Indian and Bangladeshi private commercial banks covering the period of 2010-2021. As sample, 40 private commercial banks were considered randomly, of which 20 were from India and 20 were from Bangladesh. The panel data research methodology was used as an estimation technique to analyze the data. Also, the ordinary least squares (OLS) regression model was used to scrutinize data. To check whether the models were appropriate, the Breusch-Pagan Lagrange Multiplier (LM) Test was employed. Banks' specific factors and microeconomic factors showed almost the same variations for both Bangladesh's and India's private banks. All models and tests were evaluated using E-views econometric software. The major findings: The present study finds that the Return on Asset (ROA) from the banks' specific variables, strength of the Bank size (BS), and Debt to Asset Ratio (DAR) are found to be positive and significant. For banks, the Deposit to Asset Ratio (DTAR) and the Loan to Deposit Ratio (LDR) are found to be negative and significant. The Equity to Asset Ratio (EAR) and Debt to Equity Ratio (DER) do not have any positive/negative impact. Contribution originality and implications: As macroeconomic variables, the inflation rate (IR) and the GDP growth rate (GDPGR) are measured and found to be positive and significant for ROA. As macroeconomic variables, the Inflation Rate (IR) and the GDP Growth Rate (GDPGR) are found to be positive and significant in the case of ROA. The concerned authorities responsible for regulating the financial performance of the banking sector can use the results of this study to take various fruitful decisions on bank profitability.