structure

The regulatory effect of new synthetic thienopyrimidine derivatives on the growth and photosynthesis of wheat (Triticum aestivum L.) variety Svitlana in the vegetative phase was studied. The regulatory effect of new synthetic thienopyrimidine derivatives was compared with the regulatory effect of auxin IAA (1H-indol-3-yl)acetic acid) or synthetic plant growth regulators Methyur (sodium salt of 6-methyl-2-mercapto-4-hydroxypyrimidine) and Kamethur (potassium salt of 6-methyl-2-mercapto-4-hydroxypyrimidine). After 2 weeks, morphometric parameters (such as average length of shoots and roots (mm), average biomass of 10 plants (g)) and biochemical parameters (such as content of photosynthetic pigments (µg/ml)) of wheat plants grown from seeds treated with synthetic thienopyrimidine derivatives, or auxin IAA, or synthetic plant growth regulators Methyur and Kamethur at a concentration of 10-6M, were measured and compared with similar parameters of control wheat plants grown from seeds treated with distilled water. The regulatory effect of new synthetic thienopyrimidine derivatives on the morphometric and biochemical parameters of wheat plants was similar or higher compared to the regulatory effect of auxin IAA, or synthetic plant growth regulators Methyur and Kamethur. The relationship between the chemical structure of new synthetic thienopyrimidine derivatives and their regulatory effect on the growth and photosynthesis of wheat plants was revealed. The most biologically active thienopyrimidine derivatives are proposed to be used as new synthetic physiological analogues of auxins and cytokinins to improve growth and increase photosynthesis of wheat (Triticum aestivum L.)variety Svitlana in the vegetative phase.

Craniopharyngiomas are benign tumors (WHO Grade I), seen in children and adults. Because of their location, they can require challenging clinical and surgical management. In fact, often, because of the presence of calcifications, of a capsule very strongly adherent to neurovascular structures, of the relationship with hypophysis, pituitary stalk, chiasm, carotids, the circle of Willis, basilar artery, and third ventricle, risk of mortality and morbidity is still mandatory. Various surgical techniques have been proposed: transcranial, transsphenoidal, and supraorbital approaches for surgical resection and treatment of craniopharyngiomas. Still, there is no common consent, but often the endonasal transsphenoidal extended procedures are considered the gold standard in many cases. We present a surgical technique of a case of complete surgical removal of an infundibular and retro chiasmatic craniopharyngioma, via an endoscopic endonasal transphenoidal transplanum approach.

Today, it is well known that Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has four types of proteins within its structure, between them the spike protein (S). The infection mechanism is carried out by the entry of the virus into the human host cell through the S protein, which strongly interacts with the human cell receptor angiotensin-converting enzyme 2 (ACE2). In this work, we propose an atomic model of the Receptor Binding Domain (RBD) of the S spike protein of the wild-type SARS-CoV-2 virus. The molecular structure of the model was composed of 50 amino acids that were chemically bonded, starting with Leucine and ending with one amino acid Tyrosine. The novelty of our work lies in the importance of knowing the sites and zones of maximum reactivity of the RBD from the fundamental levels of quantum mechanics considering the atomic structure of matter. For this, the local and global reactivity indices of the RBD were calculated, such as frontier orbitals, Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO), Fukui indices, chemical potential, chemical hardness, electrophilicity index; with this, it will be possible to know what type of molecules are more likely to interact with the RBD structure, and in this way, new knowledge will be generated at the quantum, atomic and molecular level to inhibit the virulent effects of wild-type SARS-CoV-2. Finally, in order to identify the functional groups within the most stable structure and thereby verify the future reactions that can be carried out between the RBD structure and biomolecules, the Infrared (IR) absorption spectrum was calculated. For this work, we used Material Studio v6.0 which uses the density functional theory (DFT) implemented in its DMol3 computational code. The IR spectrum was obtained using the Spartan ‘94 computer code. One novelty would be that we found nine amino acids more that could make the RBD and ACE2 binding further the already known. Thus, the Mulliken charge distribution indicates that the highest concentrations of positive and negative charge are found in the zones 477S, 478T, 484E, and 501N amino acids letting ionic or Van der Waals possible interactions with other structures.

The burden of sexually transmitted infections (STIs) continues to increase with over one million curable STIs occurring daily worldwide. Sex disparity in the rates of testing for STIs can compromise the efforts to reduce the incidence of STIs. The study aimed to explore the barriers to facility-based screening for STIs among men in Ghana. A qualitative exploratory design was employed in this study. Using a semi-structured interview guide, individual in-depth interviews were conducted among purposively sampled men from November 2019 to January 2020. Data saturation was achieved at the ninth participant. Audio-recorded interviews were transcribed verbatim and analysed thematically through Braun and Clarke’s approach. Four themes emerged from the analyses: (1) lack of privacy from healthcare providers, (2) mistrust of healthcare providers, (3) the burden of handling thoughts of positive status, and (4) fear of stigmatisation. These barriers deterred men from seeking clinic-based screening for STIs. The barriers were multi-factorial and a major hindrance to ensuring that people are aware of their STI status through screening and diagnosis. It is imperative to consider these barriers when designing STI screening interventions and policies to help promote facility-based screening for STIs among men in Ghana.

The present review highlights some of the very important contributions to non-alignment ways of comparing biological sequences, which may be genome sequences of nucleotides, protein sequences of amino acids, or sequences of protein secondary structures. The discussion centers around specific methods applicable to the comparison of three types of sequences. The methods of comparison of genome sequences are based on three pairs of biological groups of nucleotides; the same for protein sequences are based on either physio-chemical property values of amino acids or on classified groups of amino acids of different cardinalities obtained from the physio-chemical properties; the same for sequences of secondary structures of proteins are based on their sequential expressions of structure elements of cardinality three and four. Comparison is made in the time domain and also in the frequency domain. Different taxa of known phylogeny are considered for comparison. It tries to find out the specific method of comparison, which can show the exact phylogeny of the taxa. If a new sequence appears in the database, it becomes essential to know its phylogeny. For this purpose, a phylogenetic tree is drawn on the sequences of the known taxa together with this new sequence using the best possible method. If the species having this new sequence belongs to the old taxa, there is nothing to worry about. Otherwise, the species with the new sequence has to be studied separately. This is the general reason for the construction of a phylogenetic tree in any form of biological sequence comparison.

The electrical, mechanical, and thermodynamic properties of cubic structured rare earth sesqui-chalcogenides RE2X3 (RE = La-Lu, X = O, S) are examined in this work using the chemical bond theory of solids. For these materials, the values of the homopolar gaps (Eh), ionic gaps (Ec), and average energy gaps (Ep) have been assessed. It has been discovered that the calculated values of the homopolar gap (Eh) and average energy gap (Ep) are in great agreement with the values derived from the Penn and Phillips models. The electrical, mechanical, and thermodynamic properties of these materials (RE2O3), such as their bulk modulus and heat of formation, have been estimated using the bond ionicity values. The computed values accord very well with the theoretical results that have been published thus far.PACS No.: 71.20.Eh, 71.15.Mb, 61.50.Ks, 71.15.Mb

Additive manufacturing, commonly known as 3D printing, is revolutionizing the field of biomedical engineering by enabling the creation of custom implants tailored to individual patient anatomy. This technology uses digital design files to layer-by-layer build structures from various materials, including biocompatible metals, polymers, and ceramics. In medical applications, this precision allows for the creation of implants that closely match the contours and geometries of a patient’s unique anatomical features, offering improved fit, functionality, and comfort compared to traditional, mass-produced implants. The potential benefits extend beyond just enhanced patient outcomes. With additive manufacturing, healthcare providers can reduce surgical times by designing implants that require minimal intraoperative modification. Moreover, the flexibility of this technology facilitates rapid prototyping and iterative design, enabling healthcare professionals to collaborate with engineers in refining implant designs before they are used in surgery. This iterative approach is particularly useful in complex cases, such as craniofacial reconstruction, where conventional implants may not adequately address the intricacies of a patient’s skeletal structure.

Background: Maternal mortality is a very sensitive indicator of our health system and services. Epidemiological data about maternal mortality is a vital requirement in every setting not only to design interventional programs but also to identify gaps in the existing structures, to reduce the ratio favorably. This study was an attempt to shed light on the mortality rate in our hospital, to analyze the epidemiological aspects, causes of maternal mortality, and types of delay, and to suggest recommendations for improvement. Methods: A retrospective study was done at a tertiary care center at the district level from January 2022 to December 2022. Demographic data and details of selected parameters were obtained from maternal death review forms and case records. Data analyzed and presented.Results: The majority of the maternal deaths could be attributed to direct obstetric causes like Eclampsia (29.41%), Pre-eclampsia (20.59%), and anemia (20.59%) followed by hemorrhage (14.71%), and septicemia (11.76%). Medical conditions contributing to death included liver disorders (5.8%), COVID-19 infection (5.8%), and cardiac disorders (2.9%). Conclusion: It is evident that the maternal mortality ratio is significantly high, with a majority of the deaths occurring due to avoidable causes. Leading contributory factors were due to delay in seeking help or delay in referral. High-risk cases must be identified at the earliest and referred to higher centers for management from the first trimester itself. Generating awareness among the common public and counseling the gravidas and their caretakers throughout pregnancy is equally important to prevent maternal mortality and near-miss cases.

The Gaussian computational chemistry software package was employed to investigate the molecular structure and energetics of benzothiazole, a compound known for its anti-tumor properties. Density functional theory (DFT) calculations were conducted using the Becke, 3-parameter, Lee-Yang-Parr (B3LYP) method, coupled with the LanL2DZ basis set. Molecular structure optimization was carried out to determine the most stable configurations of the benzothiazole compound. Furthermore, thorough analyses of molecular orbital energies, molecular properties, and molecular electrostatic potential surface maps were performed on the optimized molecular system. Our current research suggests that the compound 2-(4-aminophenyl) benzothiazole, containing benzothiazole, maybe a potential drug candidate for free radical species on cells due to its anti-cancer properties.

A thorough knowledge of the stationary characteristics of the nuclei of atoms, their stimulation wavelengths, how they react to outside factors, and how they disintegrate is the aim of nuclear structural science. Although achieving these objectives within just one structure is difficult and prevents the existence of a nuclear "standard model," it is evident that radioactive Density Functional Theory (DFT) offers perhaps the broadest variety of applications to date. We attempt to place DFT in a larger perspective in this study by making frequent allusions to electrical DFT. We also provide a brief overview of the numerous uses and an explanation of the connections between beginning techniques and Useful Field Concepts (EFTs) in particular. The article tries to promote collaborations with different scientific fields while being published from a subjective and perhaps biased point of view.

New synthetic compounds - thioxopyrimidine derivatives as regulators of vegetative growth and photosynthesis of spring barley (Hordeum vulgare L.) variety Acordine were studied. The growth-regulatory effect of new synthetic compounds, thioxopyrimidine derivatives, used in a concentration of 10-6M, was compared with the growth-regulatory effect of a plant hormone auxin IAA (1H-indol-3-yl)acetic acid) or synthetic plant growth regulators, derivatives of sodium and potassium salts of 6-methyl-2-mercapto-4-hydroxypyrimidine (Methyur, Kamethur), N-oxide-2,6-dimethylpyridine (Ivin), used in a similar concentration of 10-6M. The conducted study showed the similarity of the growth-regulatory effects of synthetic compounds, thioxopyrimidine derivatives, the plant hormone auxin IAA, and synthetic plant growth regulators Methyur, Kamethur, and Ivin. Morphometric parameters (average length of shoots (mm), average length of roots (mm), and average biomass of 10 plants (g)) and biochemical parameters (content of photosynthetic pigments chlorophylls a, b, a+b and carotenoids (µg/ml)) of barley plants treated with the plant hormone auxin IAA or synthetic plant growth regulators Methyur, Kamethur, Ivin or thioxopyrimidine derivatives were increased after 4 weeks compared to control plants. The dependence of the growth-regulatory effect of synthetic compounds, thioxopyrimidine derivatives on their chemical structure was analyzed. The use of the synthetic plant growth regulators, derivatives of sodium salt of 6-methyl-2-mercapto-4-hydroxypyrimidine (Methyur), potassium salt of 6-methyl-2-mercapto-4-hydroxypyrimidine (Kamethur), N-oxide-2,6-dimethylpyridine (Ivin) and selected most active synthetic compounds, thioxopyrimidine derivatives for regulating the growth and photosynthesis of spring barley (Hordeum vulgare L.) variety Acordine is proposed.

This paper reviews the transformative impact of Artificial Intelligence (AI) on civil engineering. It explores AI's fundamental concepts and its applications across structural analysis, construction management, transportation, geotechnical engineering, and sustainability. The review highlights AI's role in automating tasks, predicting outcomes, and optimizing designs throughout project lifecycles. Recent advancements in AI-driven technologies for structural health monitoring, predictive maintenance, and risk assessment are discussed, along with challenges like data quality and model interpretability. Future trends such as autonomous construction and digital twins are examined, emphasizing the need for continued research and interdisciplinary collaboration. In conclusion, this paper offers insights for leveraging AI to address evolving challenges and opportunities in civil engineering, fostering innovation, sustainability, and resilience in infrastructure development.

The β1 receptor is one of the three beta receptors present in the human body, namely β1, β2, and β3. The β1 receptor is predominantly located in the heart, where it plays a crucial role in regulating the heart rate and the force of contraction, thereby increasing the cardiac output and the efficiency of blood pumping throughout the body. This receptor is targeted by a variety of pharmaceutical agents known as beta-blockers, which are commonly used in the treatment of cardiovascular conditions such as hypertension, angina, and arrhythmias.The β1 receptor exhibits stereoselectivity, meaning that different enantiomers (chiral molecules) of beta blockers can have varying levels of effectiveness and side effects. This study focuses on the stereoselectivity of the β1 receptor and the clinical implications of this property. It includes an examination of various β1 blockers, such as propranolol (a non-selective beta  blocker), and selective β1 blockers like atenolol, bisoprolol, nebivolol, metoprolol, esmolol, acebutolol, and betaxolol. Each of these drugs has a unique chemical structure, with specific functional groups that contribute to their selective action on the β1 receptor.Furthermore, the β2 receptor, which is mainly present in the bronchi and bronchioles, is responsible for bronchodilation, and the β3 receptor, found in the bladder, helps reduce urinary urgency. Understanding the distinct locations and functions of these receptors allows for the development of targeted therapies with minimal off-target effects.This review highlights the importance of stereoselectivity in the development and use of β1 blockers, discussing their chemical structures, pharmacological activities, and therapeutic uses. It also explores the potential for future research and development of more selective and effective β1 receptor agonists and antagonists, which could offer improved therapeutic outcomes for patients with cardiovascular diseases.This study underscores the significant role of the β1 receptor in cardiovascular health and provides insights into the ongoing advancements in beta-blocker therapy. By delving into the stereoselectivity and specific actions of these drugs, the research aims to enhance the understanding and optimization of β1 receptor-targeted treatments in clinical practice.

The study is based on the characterization of different AI models applied in the public furniture design analyzing the conditions of risk, materiality, and integration of variables in two AI generative modeling algorithms. As risky since they contain flood-prone areas, low vegetation coverage, and underdevelopment of infrastructure; therefore, these characterizations are tested through artificial simulation. The experimental method is applied through laboratory tests of various material components and their structuring in 3D simulators to check their resistance and risk scenarios. The case study of one of the most risky and populated areas of the informal settlement area of the Northwest of Guayaquil, such as the Coop, is analyzed. Sergio Toral is the focal point for on-site testing. It is concluded that the generation of a planned scheme of ecological furniture with different materials responds more effectively to the territory and that through artificial simulation an advantage can be obtained in terms of execution time and results, thus demonstrating that artificial intelligence is an ideal tool. To generate furniture design proposals that are more diverse, innovative, and functional with the environment, but it generates a minimum level of error for specific designs in the experimental model_01 of 0.1% to 3% and a high level in the experimental model_02 with an increasing error from 20% to 70%. As a future line of research, it is proposed to generate a simulated system of all the new informal settlements in Guayaquil and establish focal points for the implementation of new ecological furniture.

The incidence of obstetric acute renal failure remains significant in developing countries. The aim of our study is to define the risk factors involved in the occurrence of ARF during pregnancy or during the immediate postpartum period and to evaluate its evolutionary profile in terms of epidemiology, etiopathogenesis, and therapeutic management over the years in Morocco. This is a retrospective study conducted in the maternal-infant resuscitation service of the Ibn Rochd University Hospital of Casablanca, over the period from January 2020 to August 2023, including 95 patients. The current incidence in our series over this period was 22.2%. The mean age of our population was 33 ± 7.74 years [18-43 years], 67.3% of patients were in the gestational period, compared to 33.7% in the immediate postpartum period. Fourteen patients were primiparous (8.6%), 27.4% had a history of miscarriage, and 10.7% had a history of pre-eclampsia. Oligo-anuria was initially identified in 24 patients. The most frequent etiology was pre-eclampsia (56.7%), followed by hemorrhage (27%) and sepsis (19.3%). The evolution was marked by recourse to hemodialysis in 62% of cases, with a maternal mortality of 26%. The existence of heart disease, the context of pre-eclampsia, and the use of diuretics and vasoactive drugs were significantly correlated with maternal survival. No factor was correlated with secondary recovery from ARF. The development of health structures and the optimization of screening strategies are the keywords for prevention.

This study presents a comprehensive simulation and analysis of photonic band gaps in one-dimensional (1D) photonic crystals using the open-source software MEEP. Photonic crystals, with their periodic structures, exhibit photonic bandgaps that prevent the propagation of specific wavelengths of light, making them crucial for various optical applications. Unlike previous studies that primarily focused on theoretical and experimental methods, this research introduces a novel computational approach that enhances the accuracy and flexibility of modeling these bandgaps. Through detailed simulations, we explore the impact of different structural parameters on the photonic bandgap properties, providing valuable insights into optimizing these crystals for practical use. Our findings demonstrate significant improvements in the design and understanding of 1D photonic crystals, particularly in tailoring bandgaps for specific applications in optical devices. This work contributes to the advancement of photonic crystal technology by offering a robust framework for their analysis and application.

The aging of stones in response to climate change and the carbon lifeform environment is a fascinating topic that highlights the resilience and adaptability of geological structures to the ever-changing conditions of our planet. Stones, as foundational components of the Earth's crust, undergo a complex process of weathering, erosion, and transformation in the face of environmental challenges such as climate change and the presence of carbon-based lifeforms. In this essay, we will explore the key characteristics of how stones age in response to these factors and the implications for climate resilience.

Mesoscopic modeling of complex systems involves thermodynamic nonequilibrium of discrete scaling. Further from quantum correlation on a chip retrieved quantum nonlinear optics with single photons enabled by strongly interacting atoms. Accompanied by mesofractals as the development of meso & micro size fractal structures is required to mimic various biological systems for various functions. Showed through fluorapatite in gelatin‐based nanocomposite, fractal in DNA knots driven by balance of fission & fusion in mtDNA/mitochondrial DNA mechanism, for optical engines for light energy detection described the proportional integral derivative [PI(D)]‐controller set in microbial cells to HCCI/Homogeneous Charge Compression Ignition.

Conventionally, concrete strength depends on the bonding interface, especially in hydrated products such as calcium silicate hydrate (CSH). As a result, concrete is sensitive under tensile load. With its unique properties, a low fraction of carboxylated nitro-oxidized cellulose nanofibrils (NOCNF) from the banana rachis is employed to improve the mechanical performance of the concrete nano structurally. Compressive and flexural strength using the NOCNF content at 0, 0.05, and 0.1 wt. % cured in 7 and 28 days were evaluated. Notably, the compressive strength increased by 16% and flexural strength by 13% at 0.1% NOCNF compared to plain concrete after the 28 curing days. A low NOCNF fraction achieved a good, albeit impossible, performance with the microscale fibers. The nanostructured effect was discussed twofold: an excellent interaction between the NOCNF and the hydrated products and the carboxylic groups on the NOCNF surface enhanced the cement hydration. These data are better than the literature based on the small-diameter cellulose nanofibrils without the carboxyl groups. As a sustainable nanocomponent, NOCNF could be a perfect candidate to improve concrete performance under mechanical load.

Background: Human 30kb coronaviruses entered through the ACE-2 receptors causing fibrosis of the lungs and causing six million deaths worldwide. Here, we have investigated the mutations, deletions and insertions of the recent JN.1 omicron coronaviruses to demonstrate that coronaviruses have reached the pre-elimination stage. Methods: We multi-aligned the genomes of recent JN.1 variants using NCBI Virus Portal and CLUSTAL-Omega. The spike proteins are multi-aligned using MultAlin software and CLUSTAL-Omega.Results: The 17MPLF spike insertion was confirmed to compensate 24LPP, 31S, 69HV, 145Y, 211N and 483V deletions. The 49nt deletions in the 3’-UTR were found in 4997 JN.1 sequences although 26nt deletion was initiated previously in JN.1 as well as BA.5, BF.7, BQ.1 and XBB.1.5 omicron viruses. We first compare 3-D structures of spike proteins with or without 17MPLF four amino acids insertion and nine amino acids deletions using SWISS MODELLING. The JN.1 viruses caused a more stable trimeric spike involving Thr342, Lys436, Lys440, His441, Ser442, Gly443, Tyr445, Lys479, Ser489, Tyr490, Arg493, Pro494, Thr495, and Gln501 amino acids to interact with ACE-2 receptors. The FLiRT spike mutations were found in most KP.2 variants and other changes occurred at the NH2 terminus.Conclusion: We claimed that pre-death changes were initiated in JN.1 COVID-19 lineages and computer simulation showed that the Howard spike with 17MPLF spike insertion appeared more stable than the Oppentrons-spike without 17MPLF insertion. Surely, conflicts of COVID-19 spike sequences must be resolved.