Spectra Of Complexes Research Articles

MIND4OLIGOS: Determining the Monoisotopic Mass of Oligonucleotides Observed in High-Resolution Mass Spectrometry.

Oligonucleotide therapeutics have emerged as an important class of drugs offering targeted therapeutic strategies that complement traditional modalities, such as monoclonal antibodies and small molecules. Their unique ability to precisely modulate gene expression makes them vital for addressing previously undruggable targets. A critical aspect of developing these therapies is characterizing their molecular composition accurately. This includes determining the monoisotopic mass of oligonucleotides, which is essential for identifying impurities, degradants, and modifications that can affect the drug efficacy and safety. Mass spectrometry (MS) plays a pivotal role in this process, yet the accurate interpretation of complex mass spectra remains challenging, especially for large molecules, where the monoisotopic peak is often undetectable. To address this issue, we have adapted the MIND algorithm, originally developed for top-down proteomics, for use with oligonucleotide data. This adaptation allows for the prediction of monoisotopic mass from the more readily detectable, most-abundant peak mass, enhancing the ability to annotate complex spectra of oligonucleotides. Our comprehensive validation of this modified algorithm on both in silico and real-world oligonucleotide data sets has demonstrated its effectiveness and reliability. To facilitate wider adoption of this advanced analytical technique, we have encapsulated the enhanced MIND algorithm in a user-friendly Shiny application. This online platform simplifies the process of annotating complex oligonucleotide spectra, making advanced mass spectrometry analysis accessible to researchers and drug developers. The application is available at https://valkenborg-lab.shinyapps.io/mind4oligos/.

Gábor Transform-Based Signal Isolation, Rapid Deconvolution, and Quantitation of Intact Protein Ions with Mass Spectrometry.

High-resolution mass spectrometry (HRMS) is a powerful technique for the characterization and quantitation of complex biological mixtures, with several applications including clinical monitoring and tissue imaging. However, these medical and pharmaceutical applications are pushing the analytical limits of modern HRMS techniques, requiring either further development in instrumentation or data processing methods. Here, we demonstrate new developments in the interactive Fourier-transform analysis for mass spectrometry (iFAMS) software including the first application of Gábor transform (GT) to protein quantitation. Newly added automation tools detect signals from minimal user input and apply thresholds for signal selection, deconvolution, and baseline correction to improve the objectivity and reproducibility of deconvolution. Additional tools were added to improve the deconvolution of highly complex or congested mass spectra and are demonstrated here for the first time. The "Gábor Slicer" enables the user to explore trends in the Gábor spectrogram with instantaneous ion mass estimates accurate to 10 Da. The charge adjuster allows for easy visual confirmation of accurate charge state assignments and quick adjustment if necessary. Deconvolution refinement utilizes a second GT of isotopically resolved data to remove common deconvolution artifacts. To assess the quality of deconvolution from iFAMS, several comparisons are made to deconvolutions using other algorithms such as UniDec and an implementation of MaxEnt in Agilent MassHunter BioConfirm. Lastly, the newly added batch processing and quantitation capabilities of iFAMS are demonstrated and compared to a common extracted ion chromatogram approach.

#3033 IgA vasculitis: a unexpected diagnosis of pulmonary renal syndrome

Abstract Background IgA vasculitis is an inflammatory condition affecting blood vessels that poses a significant diagnostic and therapeutic challenge in clinical practice. Characterized by the deposition of immunoglobulin A (IgA) on vessel walls, this pathology can manifest in various ways, presenting a broad and sometimes complex clinical spectrum. Ninety percent of cases occur in the pediatric age group. Severe lung involvement, such as pulmonary hemorrhage, is rare in patients with IgAV. We present a case of a 33-year-old patient with pulmonary renal syndrome and without purpura, an atypical presentation of IgA vasculitis. Case Report We describe the case of a 33-year-old patient with no relevant medical history or regular medication, who presented to the emergency department in November 2022 with symptoms of hemoptysis, fatigue, myalgias, and pallor. On physical examination, the patient was conscious, cooperative, normotensive, tachycardic, afebrile, with bilateral axillary adenopathies, and scattered crackles on lung auscultation. Laboratory tests revealed anemia with a hemoglobin level of 5.8 g/dL, non-oliguric acute kidney injury with a creatinine level of 2.25 mg/dL, microscopic hematuria (>50/hpf), and proteinuria (UPCR of 2.8 mg/mg and UACR of 1.6 mg/mg). A chest CT scan showed bilateral and scattered ground-glass opacities consistent with alveolar hemorrhage. The patient was admitted to the Nephrology service, underwent 3 sessions of plasma exchange, and started therapy with methylprednisolone 1000 mg for 3 days. A renal biopsy revealed 24 glomeruli, with 3 showing segmental sclerosis and 1 with fibrocellular crescents, mild interstitial nephritis; immunofluorescence showed IgA+++, C3++, IgM, and IgG+- Oxford Classification: M1 E0 S1 T0 C1. Bronchofibroscopy showed a rosy bronchoalveolar lavage and macrophages with hemosiderin pigment deposition. The patient continued with prednisolone at 1 mg/kg. In January 2023 (after two months), there was a >25% reduction in albuminuria with resolution of acute kidney injury. A gradual reduction of prednisolone was initiated, and it was definitively discontinued in October 2023. In the last outpatient visit in January 2024, the patient maintained normal renal function, with no hematuria, UPCR of 100 mg/g, UACR of 70 mg/g, and no further episodes of alveolar hemorrhage. Conclusion This case stands out for its atypical presentation: an adult with alveolar hemorrhage and without other more classical manifestations of IgA vasculitis, such as purpura. This is yet another case that emphasizes the importance of the broad spectrum of diagnoses that a nephrologist should consider in the face of acute kidney injury.

Adsorption, Sensor Properties, AIM Analysis, Docking of an Anticancer Drug Benzamide on Nanocones: SERS, Solvent Effects and DFT Investigation

Using first principles, the electrical response of carbon nanocones (NC) to the drug benzamide (BZE) was investigated using density functional theory (DFT). The adsorption energies of BZE at the nanocone’s bottom (Complex I), side (Complex II), and top (Complex III) are −88.35 kcal/mol, −45.46 kcal/mol and −48.73 kcal/mol. The two other adsorptions, Complexes II and III are physisorption, however, the high value of Eads in the case of Complex I with the drop in bond lengths suggests that Complex I adsorption is chemisorption. The electrical conductivity has risen as a result of the considerable decrease in the nanocone energy gap (from 0.63 eV to 0.61 eV, 0.61 eV and 0.60 eV) caused by the adsorption of BZE. It suggests that the nanocones would be a good fit for the electronic sensors and an appropriate choice for BZE detection. Additionally, the BZE adsorption influences the nanocone’s workfunction, which is reduced by approximately 45.19%, 2.8% and 2.05% for complexes I to III. This suggests that the nanocone could be a workfunction-based sensor for the detection of BZE. The increase in binding affinity in complexes reveals that the nanocones will act as a drug delivery carrier. Theoretically, anticipated Raman spectra of BZE and complexes show SERS activity and inactive normal Raman modes are active in the Raman spectrum of complexes. Compounds II and III exhibit weak noncovalent interactions (NCI) and due to the presence of covalent bonding interaction in compound I, significant changes in other bonding and nonbonding electron densities are observed compared to compounds II and III.

Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes.

Chiral, enantiopure Yb(III) complexes exhibit circularly polarized luminescence (CPL) in the near infrared (NIR) wavelength region. This CPL is quantified by the dissymmetry factor (glum). The excited state 2F5/2 consists of six mJ' states degenerated in three Stark levels, due to the crystal-field splitting (CFS), which are populated in accordance with the Boltzmann distribution. Consequently, room temperature CPL spectra are the sum of various - either positive or negative - contributions, that are practically impossible to quantify. To address this issue, an advanced setup enabling CPL measurements over a broad temperature range (300 to 4 K) has been developed. The interrelation of CFS, glum and temperature was explored using a pair of enantiopure Yb(III) complexes, highlighting the individual contribution of each crystal-field sublevel to the overall CPL spectrum, as anticipated by simulations performed in the framework of multireference wave-functions. Hence, the CPL spectra of chiral lanthanide complexes were found to be indeed strongly temperature-dependent, as is the glum dissymmetry factor, as a consequence of the variation in thermal sublevel population.

Theoretical Insights into the Vibrational Structure of Carbon Dioxide Rare-Gas Complexes.

Two new flexible-monomer two-body ab initio potential energy surfaces (PESs) for the neon and krypton van der Waals complexes with carbon dioxide were developed, extending our previous work on the Ar-CO2 molecule. The accuracy of the PESs was validated by their agreement with the vibrational spectrum of the rare-gas complexes. The intermolecular and intramolecular vibrational excitation energies were computed at the vibrational self-consistent field and vibrational configuration interaction levels of theory. Overall, the agreement between theory and experiment is excellent throughout the vibrational spectra. The observed slight splitting of the bending modes, resulting from their nondegeneracy in the complexes, is confirmed by our computations, and the results qualitatively agree with the experiment. The splitting increases with increasing polarizability of the rare-gas atom. Additionally, we explain a discrepancy in the mode assignment in the intermolecular region of the neon complex with our VCI character assignment.

Unraveling the enigma of long COVID: novel aspects in pathogenesis, diagnosis, and treatment protocols.

Long COVID, now unmistakably identified as a syndromic entity encompassing a complex spectrum of symptoms, demands immediate resolution of its elusive pathogenic underpinnings. The intricate interplay of diverse factors presents a complex puzzle, difficult to resolve, and thus poses a substantial challenge. As instances of long COVID manifest by repeated infections of SARS-CoV-2 and genetic predisposition, a detailed understanding in this regard is needed. This endeavor is a comprehensive exploration and analysis of the cascading pathogenetic events driven by viral persistence and replication. Beyond its morbidity, long COVID, more disabling than fatal, exacts one of the most substantial tolls on public health in contemporary times, with the potential to cripple national economies. The paper introduces a unified theory of long COVID, detailing a novel pathophysiological framework that interlinks persistent SARS-CoV-2 infection, autoimmunity, and systemic vascular pathology. We posit a model where viral reservoirs, immune dysregulation, and genetic predispositions converge to perpetuate disease. It challenges prevailing hypotheses with new evidence, suggesting innovative diagnostic and therapeutic approaches. The paper aims to shift the paradigm in long COVID research by providing an integrative perspective that encapsulates the multifaceted nature of the condition. We explain the immunological mechanisms, hypercoagulability states, and viral reservoirs in the skull that feed NeuroCOVID in patients with long COVID. Also, this study hints toward a patient approach and how to prioritize treatment sequences in long COVID patients in hospitals and clinics.

The role of non-uniform magnetization texture for magnon–magnon coupling in an antidot lattice

We numerically study the spin-wave dynamics in an antidot lattice based on a Co/Pd multilayer structure with reduced perpendicular magnetic anisotropy at the edges of the antidots. This structure forms a magnonic crystal with a periodic antidot pattern and a periodic magnetization configuration consisting of out-of-plane magnetized bulk and in-plane magnetized rims. Our results show a different behavior of spin waves in the bulk and in the rims under varying out-of-plane external magnetic field strength, revealing complex spin-wave spectra and hybridizations between the modes of these two subsystems. A particularly strong magnon–magnon coupling, due to exchange interactions, is found between the fundamental bulk spin-wave mode and the second-order radial rim modes. However, the dynamical coupling between the spin-wave modes at low frequencies, involving the first-order radial rim modes, is masked by the changes in the static magnetization at the bulk–rim interface with magnetic field changes. The study expands the horizons of magnonic-crystal research by combining periodic structural patterning and non-collinear magnetization texture to achieve strong magnon–magnon coupling, highlighting the significant role of exchange interactions in the hybridization.

Novel Octahedral Nickel (II) Complex with Flexible Piperazinyl Moiety Exhibits Potent Cytotoxic Effect Along with Anti-Migratory and Anti-Metastatic Effect on Human Cancer Cells.

Synthesis of non-platinum transition metal complexes with N,O donor chelating ligand for application against cancer with higher efficacy and selectivity is currently an important research field. We assessed The anti-cancer effects of a mixed ligand Ni(II) complex on human breast and lung cancer cell lines in the current investigation. Mononuclear mixed ligand octahedral Ni(II) complex [NiIIL(NO3)(MeOH)] complex(1), with tri-dentate phenol-based ligand 2,4-dichloro-6-((4-methylpiperazin-1-yl)methyl)phenol (HL) along with methanol and nitrate as ancillary ligand was prepared. Piperazine moiety of the ligand exists as boat conformation in this complex as revealed from single crystal X-ray study. UV -visible spectrum of complex (1) exhibits three distinct d-d bands due to spin-allowed 3A2g→3T1g(P), 3A2g→3T1g(F) and 3A2g→3T2g(F) transitions as expected octahedral d8 system. Complex (1) through transactivation of p53 and its pro-apoptotic downstream targets induce apoptotic cell death in mouse and human cancer cells such as mcf-7, A549 and MDA-MB-231 in dose dependent manner. Furthermore, complex (1) was able to slow the migratory rate of MDA-MB-231 cells' in vitro as well as epithelia -mesenchymal transition (EMT), the key step for metastatic transition and malignancy. Over all our results suggest complex (1) as potential agent in anti-tumor treatment regimen both as cytotoxic and anti-metastatic agent against malignant neoplasia.

Abnormality of Early White Matter Development in Tuberous Sclerosis Complex and Autism Spectrum Disorder: Longitudinal Analysis of Diffusion Tensor Imaging Measures.

Background: Abnormalities in white matter development may influence development of autism spectrum disorder in tuberous sclerosis complex (TSC). Our goals for this study were as follows: (1) use data from a longitudinal neuroimaging study of tuberous sclerosis complex (TACERN) to develop optimized linear mixed effects models for analyzing longitudinal, repeated diffusion tensor imaging metrics (fractional anisotropy, mean diffusivity) pertaining to select white matter tracts, in relation to positive Autism Diagnostic Observation Schedule-Second Edition classification at 36 months, and (2) perform an exploratory analysis using optimized models applied to all white matter tracts from these data. Methods: Eligible participants (3-12 months) underwent brain magnetic resonance imaging (MRI) at repeated time points from ages 3 to 36 months. Positive Autism Diagnostic Observation Schedule-Second Edition classification at 36 months was used. Linear mixed effects models were fine-tuned separately for fractional anisotropy values (using fractional anisotropy corpus callosum as test outcome) and mean diffusivity values (using mean diffusivity right posterior limb internal capsule as test outcome). Fixed effects included participant age, within-participant longitudinal age, and autism spectrum disorder diagnosis. Results: Analysis included data from n = 78. After selecting separate optimal models for fractional anisotropy and mean diffusivity values, we applied these models to fractional anisotropy and mean diffusivity of all 27 white matter tracts. Fractional anisotropy corpus callosum was related to positive Autism Diagnostic Observation Schedule-Second Edition classification (coefficient = 0.0093, P = .0612), and mean diffusivity right inferior cerebellar peduncle was related to positive Autism Diagnostic Observation Schedule-Second Edition classification (coefficient = -0.00002071, P = .0445), though these findings were not statistically significant after multiple comparisons correction. Conclusion: These optimized linear mixed effects models possibly implicate corpus callosum and cerebellar pathology in development of autism spectrum disorder in tuberous sclerosis complex, but future studies are needed to replicate these findings and explore contributors of heterogeneity in these models.

A National Analysis of Alcohol Withdrawal Syndrome in Patients with Operative Trauma

BackgroundAlcohol withdrawal syndrome (AWS) presents with a complex spectrum of clinical manifestations that complicate postoperative management. In trauma setting, subjective screening for AWS remains challenging due to the criticality of injury in these patients. We thus identified several patient characteristics and perioperative outcomes associated AWS development. MethodsThe 2016–2020 National Inpatient Sample was queried to identify all non-elective adult (≥18 years) hospitalizations for blunt or penetrating trauma undergoing operative management with a diagnosis of AWS. Patients with traumatic brain injury or with a hospital duration of stay <2 days were excluded. Outcomes of interest included in-hospital mortality, perioperative complications, hospitalization costs, length of stay (LOS) and non-home discharge. ResultsOf an estimated 2,965,079 operative trauma hospitalizations included for analysis, 36,415 (1.23 %) developed AWS following admission. The AWS cohort demonstrated increased odds of mortality (Adjusted Odds Ratio [AOR] 1.46, 95 % Confidence Interval [95 % CI] 1.23–1.73), along with infectious (AOR 1.73, 95 % CI 1.58–1.88), cardiac (AOR 1.24, 95 % CI 1.06–1.46), and respiratory (AOR 1.96, 95 % CI 1.81–2.11) complications. AWS was associated with prolonged LOS, (β: 3.3 days, 95 % CI: 3.0 to 3.5), greater cost (β: +$8900, 95 % CI $7900–9800) and incremental odds of nonhome discharge (AOR 1.43, 95 % CI 1.34–1.53). Furthermore, male sex, Medicaid insurance status, head injury and thoracic operation were linked with greater odds of development of AWS. ConclusionIn the present study, AWS development was associated with increased odds of in-hospital mortality, perioperative complications, and resource burden. The identification of patient and operative characteristics linked with AWS may improve screening protocols in trauma care.

Malformations of the Cerebral Commissures

AbstractMalformations of the cerebral commissures are abnormalities involving the structures which connect the brain hemispheres. The main cerebral commissures are the anterior commissure, the hippocampal commissure, and the corpus callosum, which is the largest and best known of the three and connects the neocortex of the two cerebral hemispheres. Commissures of more reduced extension are the posterior commissure and the habenular commissure. They derive embryologically from the same structure, the commensurate plate. Any interference in the embryological development of the brain commissures may cause an anomaly of all the three commissures or of a single commissure, as well as any combination of anomalies of each of them.Each of these three commissural traits may be absent, isolated, or in combination. The abnormality of the commissures, in addition, can be complete or partial, with dysplasia of the meninges, with multicystic dysplasia of the interhemispheric meninges, in the context of Aicardi syndrome or with the presence of interhemispheric lipomas.The complete agenesis of the commissures (“classic” form) is the most common form and encompasses more than a third of the cases. In complete agenesis, by definition, both the corpus callosum and the hippocampal commissure are totally absent.Anomalies of the commissural structures associated with dysplasia of the meninges include the agenesis of the corpus callosum with interhemispheric cysts (a complex spectrum of clinical and neuroradiological conditions characterized by the associated presence of an interhemispheric cyst formed by communicating cavities) and the agenesis of commissures with interhemispheric lipomas that are usually located in the subarachnoid space.Genes responsible for axonal migration to the commissural plate and those responsible for crossing and connections with the neurons of the contralateral hemisphere are multiple, so that malformations of the cerebral commissure/corpus callosum can be found in numerous malformative syndromes with other multiple associated abnormalities.

Surgery versus sclerotherapy versus combined therapy in head and neck lymphatic malformations in the pediatric population: systematic review and meta-analysis.

To systematically review current literature on the treatment of lymphatic malformations (LMs) of the head and neck to guide treatment strategy. A systematic review and meta-analysis of literature until 16 November 2021 was performed on treatments of LMs in the head and neck. Out of 9044 articles, 54 studies were eligible for inclusion with 26 studies providing detailed participant data. A total number of 1573 patients with a mean age of 21.22months were analysed. Comparative meta-analysis did not reveal significant differences two proportions of volume reduction (≥ 50% and 100%) between sclerotherapy and surgical treatment. Regression demonstrated that positive predictors for volume reduction were surgery 17 (95% CI 0.26-34; p = 0.047) and treatment of macrocystic lesions 19 (95% CI 5.5-32; p = 0.006). Treatment of mixed lesions also demonstrated a trend towards achieving a greater volume reduction (p = 0.052). A higher de Serres stage of the lesion had a negative effect on the amount of volume reduction -3.7 (95% CI -7.0 to -0.35; p = 0.030). This comprehensive meta-analysis demonstrated no significant difference in volume reduction between various treatment modalities at study level. However, individual patient data indicated that surgery and larger cyst types are associated with a significant higher percentage of volume reduction, whereas a higher de Serres stage negatively impacted the amount of volume reduction. These findings can be used for patient counseling and treatment planning based on cyst type and de Serres stage. However volume reduction constitutes just one objective within a more complex treatment spectrum.

The rotation-tunneling spectrum of 3-hydroxypropenal and confirmation of its detection toward IRAS 16293-2422 B

3-Hydroxypropenal (HOCHCHCHO) is the lower energy tautomer of malonaldehyde which displays a complex rotation-tunneling spectrum. It was detected somewhat tentatively toward the solar-type protostellar system IRAS 16293$-$2422 with ALMA in the framework of the Protostellar Interferometric Line Survey (PILS). Several transitions, however, had large residuals, preventing not only their detection, but also the excitation temperature of the species from being determined unambiguously. We want to extend the existing rotational line list of 3-hydroxypropenal to shed more light on the recent observational results and to facilitate additional radio astronomical searches for this molecule. We recorded and analyzed the rotation-tunneling spectrum of 3-hydroxypropenal in the frequency regions between 150 and 330 GHz and between 400 and 660 GHz. Transitions were searched for in the PILS observations of IRAS 16293$-$2422. Local thermodynamic equilibrium (LTE) models were carried out and compared to the observations to constrain the excitation temperature. Additional transitions were searched for in other ALMA archival data of the same source to confirm the presence of 3-hydroxypropenal. More than 7500 different spectral lines, corresponding to more than 11500 transitions, were assigned in the course of our investigation with quantum numbers $2 J 100$, $K_a 59$, and $K_c 97$, resulting in a greatly improved set of spectroscopic parameters. The comparison between the LTE models and the observations yields an excitation temperature of 125 K with a column density $N = 1.0 $ cm$^ $ for this species. We identified seven additional lines of 3-hydroxypropenal that show a good agreement with the model in the ALMA archive data. The calculated rotation-tunneling spectrum of 3-hydroxypropenal has sufficient accuracy for radio astronomical searches. With the solution of the excitation temperature conundrum and the detection of seven more lines, we consider the detection of 3-hydroxypropenal toward IRAS 16293$-$2422 as secure.

Frame-wise speech extraction with recursive expectation maximization for partially deformable microphone arrays

Large-apertured wearable and deformable microphone arrays have shown their better performance than conventional small wearable and rigid microphone arrays for speech extraction tasks, especially when the desired speech is far away from the arrays or there exist a great number of directional noises in practical applications. Most existing beamforming methods that require the information of the desired sound direction often cannot be used directly on deformable arrays because their shape might continuously change over time. To tackle the problem of utilizing partially deformable microphone arrays for target speech extraction, this paper derives a frame-wise speech extraction method, which is referred to as the recursive multichannel Wiener filter with generalized Gamma priors. In this method, the complex spectrum of the desired speech is assumed to follow a zero-mean complex Gaussian distribution with time-varying variance, and the reciprocal of this time-varying variance known as the precision is further assumed to follow a Gamma distribution, while the complex spectrum of the noise is assumed to follow a zero-mean complex Gaussian distribution. Under these two assumptions, we derive the recursive expectation maximization algorithm to extract the desired speech in a frame-by-frame manner. Experimental results show the promising performance of the proposed method in terms of multiple objective metrics.

A Workflow for Improved Analysis of Cross-Linking Mass Spectrometry Data Integrating Parallel Accumulation-Serial Fragmentation with MeroX and Skyline.

Cross-linking mass spectrometry (XL-MS) has evolved into a pivotal technique for probing protein interactions. This study describes the implementation of Parallel Accumulation-Serial Fragmentation (PASEF) on timsTOF instruments, enhancing the detection and analysis of protein interactions by XL-MS. Addressing the challenges in XL-MS, such as the interpretation of complex spectra, low abundant cross-linked peptides, and a data acquisition bias, our current study integrates a peptide-centric approach for the analysis of XL-MS data and presents the foundation for integrating data-independent acquisition (DIA) in XL-MS with a vendor-neutral and open-source platform. A novel workflow is described for processing data-dependent acquisition (DDA) of PASEF-derived information. For this, software by Bruker Daltonics is used, enabling the conversion of these data into a format that is compatible with MeroX and Skyline software tools. Our approach significantly improves the identification of cross-linked products from complex mixtures, allowing the XL-MS community to overcome current analytical limitations.

Review of the spectrum of tuberous sclerosis complex: The Saudi Arabian Experience.

To determine the prevalence of tuberous sclerosis complex (TSC) in the paediatric Saudi population and to characterise the range of clinical symptoms, neurocutaneous findings, neuroimaging results, and complications of the disease. A total of 61 genetically confirmed TSC patients from the National Guard Health Affairs (NGHA) in Saudi Arabia were the subject of this retrospective descriptive analysis. The data were presented using descriptive measures. The mean age at diagnosis was found to be 4.9 years. Subependymal nodules (86.9%), numerous cortical tubers and/or radial migration lines (63.9%), and hypomelanotic macules (63.9%) were the 3 most common significant criteria. The vast majority (86.9%) of those diagnosed had epilepsy, of which 50% were considered medically intractable. Nearly half of our subjects underwent genetic testing, which revealed that TSC2 predominated over TSC1. Symptoms of Tuberous Sclerosis Complex-Associated Neuropsychiatric Disorders (TAND) were present in 66.7% of TSC1 patients and 73.9% of TSC2 patients. The findings of this study demonstrate that the clinical spectrum of TSC among Saudi children is consistent with the body of existing literature. The TSC2 was more prevalent than TSC1. The most frequent signs were cutaneous and neurological. Monitoring TSC patients regularly is crucial to identify any issues as soon as possible.

Is innovation failure just a dead end?

This paper explores whether failures in innovation projects at the firm level contribute to strengthening firms’ innovative activities and the odds of future innovation. Building on the literature on NK fitness landscapes, our paper focuses on technological complexity as a key factor that influences the response to innovation failures, guiding whether to discontinue the current path or, alternatively, to leverage the failure as a foundation for future innovation success. We then test the hypothesis derived from our model using a panel data set constituted by ten waves of the Community Innovation Survey held in the Netherlands from 1996 to 2014. Our findings show the fundamental relevance of the different forms of learning that are available to the firm. In particular, we highlight the positive role of learning after a previous innovation project has been abandoned. Previous failure in innovating produces some forms of learning inside the firms, and this learning positively contributes to subsequent successful innovation. Moreover, by differentiating between radical and incremental innovation, and between complex and less-complex innovation landscapes, we highlight the role of incremental innovation over the whole spectrum of landscape complexity, while the role of radical innovation appears to be more limited to less turbulent technological landscapes.

Numerical representations of AB-type copolymer complexes: analysis of 1H NMR chemical shift patterns in terms of a Smith–Cantor set

AbstractWhen considering the possibility of storing information in the sequence of monomer residues within an AB-type copolymer chain, it is constructive to model that sequence as a string of ones and zeros. The intramolecular environment around any given digit (say a “1”) can then be represented by another string of integers—a code—obtained by summing pairs of digits at equivalent positions, in both directions, from that digit. The code can include only integers 0, 1 and 2, and can represent a number in any base b higher than 2. In base b = 3 the resulting set of codes includes all numbers (because only digits 0, 1 and 2 occur in ternary expansions), but in any base b &gt; 3 the codes define a limited set of numbers comprising a fractal we term a Smith–Cantor set. The 1H NMR spectrum of a random, AB-type co(polyester-imide) shows, on complexation with pyrene, a pattern of complexation shifts approximating very closely to the Smith–Cantor set for which b = 4. Other co(polyimide) complexes show a 1H NMR pattern corresponding to a specific sub-set of this fractal. The sub-set arises from a “stop-at-zero” limitation, whereby digits in the initial string are set to zero for code-generating purposes if they occur beyond a zero, as viewed from the central “1”. The limitation arises in copolymers where pyrene binds by intercalation between pairs of adjacent diimide residues. This numerical approach provides a complete, unifying theory to account for the emergence of fractal character in the 1H NMR spectra of AB-type copolymer complexes.

N-Ligands mediated Co(Ⅱ) coordination polymer incorporating 5-hydroxyisophthalic acid: Syntheses, structures, and theoretical calculations

The coordination polymer, [Co(L)(hip)]n (1), (L = 11-fluoro-pyridine[3,2-a:2',3'-c]phenazine and H2hip = 5-hydroxyisophthalic acid), has been successfully synthesized under hydrothermal condition. Complex 1 crystallizes in tetragonal, space group P43212 and the asymmetric unit consists of one Co(II) ion, one hip2- anion and one ligand L. The binuclear [Co2(L)2(hip)4]4- second building unit is formed by the coordination of four different hip2- anions and two Co(L) moieties. The adjacent Co(Ⅱ) centers are connected by the bridging hip2- anions to form a one-dimensional helical chain. Finally, a three-dimensional structure is formed by the self-assembly of the coordination bond between the Co centers and the hip2- anions. The powder X-ray diffraction, thermal analysis, IR analysis, UV-Vis absorption spectrum, photoluminescent properties and theoretical calculation for complex 1 are straight displayed. KEY WORDS: Co(Ⅱ), 5-hydroxyisophthalic acid, Coordination polymer, Crystal structure Bull. Chem. Soc. Ethiop. 2024, 38(4), 877-887. DOI: https://dx.doi.org/10.4314/bcse.v38i4.5