bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Study on Deletion in Polymer Region of Amelogenin (Amel Y) Gene: Significant Importance in Sex Determination and Identification of Sexual Assault Perpetrator
Authors: Parihar Kapil , Daga Surya Shekhar , Ahmed Umema , Mathur G. K. , Kumari Supriya , Kumawat Jyoti , Sankhla Mahipal Singh 
Published: February 2024

AbstractAccurate gender determination is crucial in many scientific disciplines, especially in prenatal diagnosis of X‐linked diseases and forensic investigations. Today, molecular techniques, especially typing for a length variation in the X–Y homologous amelogenin gene (AMEL X and AMEL Y), are used for gender assignation. This amelogenin is an integral part of most PCR multiplex kits for gender determination marker, but in 1998 there was a report of two normal males being typed as female with this marker. Subsequently, a small number of males with amelogenin deleted genes have been reported in various populations but little data are available characterizing these deletions. This review aims to explore possible relationships among the AMEL Y deleted samples and Y‐chromosome microsatellite haplotypes. Also, attempts are made to determine the frequency of males with AMEL Y deleted gene in various countries across the globe. Although some studies have shown that males with AMEL Y deleted gene are extremely rare in most populations, typing an additional gender‐determining locus should be considered in forensic investigations where the reference sample is of unknown gender.
Effect of High Humidity Exposure to Wheat Starch Based High Conducting Flexible Polymer‐in‐Salt‐Electrolyte
Authors: Yadav Dipti , Basuroy Shreya , Kumar Rakesh , Aggarwal Kanak , Srivastava Neelam 
Published: February 2024

AbstractPolymer‐in‐salt‐electrolytes (PISEs) are an important class of electrolytes as they carry the promise of faster and single ion transport. Unfortunately, due to unavailability of a suitable polymer host PISE has still not reached to commercial level. In the present work, using a novel synthesis protocol developed by the group, glutaraldehyde crosslinked wheat starch has been successfully modified with sodium iodide (NaI) to synthesize a flexible PISE membrane with desired electrochemical properties. Present paper reports the effect of crosslinker and exposure to high humidity ambience on electrochemical and morphological properties. It has been established that on exposure to higher humidity atmosphere starch‐based PISEs stabilize at lower resistance value, but with higher ion relaxation time, which indicates that effect of high humidity treatment is more on salt dissociation instead of assisting the ion transport. The studied materials have conductivity ≈0.01 S cm−1 range with ESW >2.5 V, ensuring its usability in electrochemical devices. The developed synthesis protocol does not require any complicated synthesis route and/or sophisticated instrument hence the overall process is economical also, adding up to its potentiality for energy device fabrication.
A Computational Quantum Chemical Approach for Surface Assimilation Effects of Well‐Known Voltage Sensitive Potassium Channel Blockers (4‐Aminopyridine and 3,4‐Diaminopyridine) over Carbon Nanotube
Authors: Pandey Anoop Kumar , Shukla Shashwat , Yadav O. P. , Singh Vijay , Dwivedi Apoorva 
Published: February 2024

AbstractThe compound 3,4‐diaminopyridine (3,4‐AP), a derivative of 4‐aminopyridine (4‐AP), is used in the symptomatic treatment of fatigue in multiple sclerosis as well as Lambert–Eaton myasthenia syndrome whereas the parent compound 4‐AP is used as an acetylcholine‐releasing drug, in serum, saliva, and urine. 4‐AP is an experimental drug that may reduce symptoms in some people with multiple sclerosis, particularly those who are more sensitive to heat. The carbon nanotubes (CNTs) have inside cavity tethering on the surface upon functionalization and adsorption on the walls of CNTs, which provides extra ability to carry pharmaceutical agents through multiple ways. Due to these benefits, this communication will discuss the comparative changes in geometry, electronic properties, and shielding parameters of 4‐AP and 3,4‐AP absorbed C56H16. The DFT/B3LYP/6–31G (d, p) method is used for the first time to report electronic structure and interaction parameters on the CNT surface. The same level theory is used to discuss the thermodynamic stability of CNT‐4‐AP/3,4‐AP. The calculated UV spectra of CNT are compared with UV spectra of CNT‐4‐AP and 3,4‐AP by using the same level theory in a water solvent, which provides a better comprehension of CNT as a drug delivery system after absorption of the 4‐AP and 3,4‐AP in the human body. The nature and strength of interactions have been discussed with the help of AIM analysis, and the frontier orbital highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) gap, chemical softness, and chemical hardness have been calculated to understand its complete chemical properties. The characters of the frontier molecular orbitals are discussed and analyzed by comparing the DOS spectra of CNT with CNT‐4‐AP/3,4‐AP.
A Quantum Chemical Study on the Enormously Large Nonlinear Optical Response of Doped Endohedral Superalkali Na2F and Superhalogens MF4 (M = B, Al) with CNT (C56H16) Cage
Authors: Singh Vijay , Masanja Paul Mathias , Dwivedi Apoorva , Tiwari Ashutosh , Pandey Anoop Kumar 
Published: February 2024

AbstractIn the present communication, the interaction of single‐wall carbon nanotubes (SWCNTs) CNT (C56H16) with endohedral doped superhalogens (MF4:M = B, Al) placed outside of CNT cage and superalkali (Na2F) placed inside the cage has been studied by using a combination of DFT/B3LYP method and 6–311G(d, p) basis set. The geometry and stability of MF4@CNT‐Li2F have been studied using optimization parameters, highest occupied molecular orbit (HOMO), lowest unoccupied molecular orbital (LUMO), vibration frequencies, and thermodynamic parameters of absorption reactions. The quantum theory in atoms in molecules (QTAIM) analysis is used to analyze the nature of interactions between MF4 (M = B, Al) and Na2F@CNT. Several electronic parameters are computed by using HOMO–LUMO energy. The dipole moment, polarizability, hyperpolarizability, order parameters, anisotropic polarizability, and molar refractivity of MF4@CNT‐Li2F (M = Al, B) are used to calculate the nonlinear optical parameters (MR). The NBO analysis is used to calculate the transfer of charge to stabilized system. The calculated hyperpolarizability of Na2F@CNT‐BF4/Na2F@CNT‐AlF4 is nearly 81 times that of reference material urea (40 a.u.). The intramolecular charge transfer (ICT) moment of π electron cloud is responsible for the nonlinear optical behavior of the system.
Study of Anticancer Properties of Graphene Oxide–Metal Oxide Composite
Authors: Dabhi Shweta D. , Gahlot Swati , Mirza Sheefa , Pandya Medha , Rawal Rakesh , Kulshrestha Vaibhav , Jha Prafulla K. 
Published: February 2024

AbstractGraphene and graphene oxide (GO) have garnered significant attention due to their exceptional properties. GO, enriched with various functional groups such as epoxy, hydroxyl, and carboxylic groups, has exhibited remarkable potential in biomedical applications. The combination of GO with metals has proven to be a promising platform for cellular imaging, with this study focusing on the preparation of diverse hybrids of GO with metal oxides (GO/MO) and their potential as anticancer agents. In this research, GO is functionalized with MOs like TiO2, Fe3O4, and Cu2O using specific chemical methods and investigated for the anticancer activity for the application as cancer therapeutic agent. The resulting GO/MO hybrids exhibits favorable thermal and mechanical properties. Moreover, their cytotoxicity against human lung cancer cells is assessed in vitro, revealing the promising anticancer activity of GO/MO hybrids. Notably, the GO/Cu2O hybrid demonstrates particularly high cytotoxicity in human lung cancer cells.
Poly (Ethyl Methacrylate) (PEMA) and its Composites for Various Applications: Background, Recent Progress, and Future challenges
Authors: Rawal Sangeeta 
Published: February 2024

AbstractThis overview looks critically at the present prospects and future challenges in development of polyethyl methacrylate (PEMA) and its composites. It is shown herein to be a promising candidate for various applications, including energy storage, textile, electronics, biomedical, packaging, coatings and adhesives, etc. Due to its high ionic conductivity, thermal stability, and low cost of synthesis, PEMA is also used as a solid electrolyte in supercapacitors. This polymer has the ability to transport ions efficiently between the two electrodes of the supercapacitor, thereby leading to improved performance and efficiency. Additionally, PEMA can withstand high temperatures without breaking down, thus making it suitable for a range of applications. Further, it is shown due to its unique properties and versatility, PEMA has significant potential for a range of biomedical applications. This review of existing literature strongly suggests that the use of PEMA as a solid electrolyte in supercapacitors can be of significant potential for advancing energy storage technology. It also warrants further research to optimize its use in many other challenging practical applications.
Chemometrics Assisted Formulation of Glimepiride Nanosuspension for Solubility Enhancement in Diabetic Therapy—A Systematic Approach
Authors: Surendran Vijayaraj , Madheswaraguptha Prathap , Ravula Parameshwar , Rajavel Ponnusamy , Prabahar A Elphine 
Published: February 2024

AbstractGlimepiride (GLM), a third‐generation sulfonylurea oral hypoglycemic medication, is used to treat type II diabetes. Admittedly, it has a low bioavailability, a relatively short half‐life (t1/2), and high toxicity. To address the issue, a nanosuspension of poorly soluble GLM is designed using a Quality‐by‐Design (QbD) method, to enhance its solubility. Prospective risk factors are identified and assessed using Critical Material Attribute (CMAs) and Critical Processing Parameter (CPPs) to evaluate the targets by Taguchi orthogonal array (OA) design and to study the effects of formulation and process variables on dependent variables. The amount of Polyvinylpyrrolidone (PVP) (X2), agitation time (X5), and concentration of Poloxamer (X7) are found as significant parameters (p < 0.05), and are further optimized using the Box Behnken Design as response surface methodology model. The optimized GLM nanosuspension 1) has mean particle size (PS), zeta potential, viscosity (VS), and percentage cumulative drug release (CDR%) of 258.17 nm, −25.2 mV, 1.087cPs, and 98.52%, respectively. The pattern of drug release is fitted to Non‐Fickian kinetics. The study results in an economic and efficient nano formulation with enhanced solubility.
Differential DNA Recognitions of Benzimidazole Based Astemizole, Omeprazole, Lansoprazole, and Thiabendazole
Authors: Sur Souvik 
Published: February 2024

AbstractWell known benzimidazole based drugs – astemizole, omeprazole, lansoprazole, and thiabendazole – are studied whether those can bind with two different oligonucleotides sequences or not. Molecular docking study and further molecular dynamics are employed to find out the capability of these drugs toward different DNA sequences. The substitution at N2 with different atoms/group or heterocyclic moieties favors the binding in the major groove of DNA in most of the cases. The substitutions at N1 beside N2 position clearly increase the binding possibility of astemizole as compared to the rest. Various functional possibilities of known drugs through DNA recognitions may be explored in drug repurposing purposes in virtue of present study.
Negative Myoclonus: Neurophysiological Study and Clinical Impact in Progressive Myoclonus Ataxia
Authors: Pollini Luca , van der Veen Sterre , Elting Jan Willem J. , Tijssen Marina A.J. 
Published: February 2024

AbstractIntroductionNegative myoclonus (NM) is an involuntary movement caused by a sudden interruption of muscular activity, resulting in gait problems and falls.ObjectiveTo establish frequency, clinical impact, and neurophysiology of NM in progressive myoclonus ataxia (PMA) patients.MethodsClinical, neurophysiological, and genetic data of 14 PMA individuals from University Medical Centre Groningen (UMCG) Expertise Center Movement Disorder Groningen were retrospectively collected. Neurophysiological examination included video‐electromyography‐accelerometry assessment in all patients and electroencephalography (EEG) examination in 13 individuals. Jerk‐locked (or silent period‐locked) back‐averaging and cortico‐muscular coherence (CMC) analysis aided the classification of myoclonus.ResultsNM was present in 6 (NM+) and absent in 8 (NM−) PMA patients. NM+ individuals have more frequent falls (100% vs. 37.5%) and higher scores on the Gross Motor Function Classification System (GMFCS) (4.3 ±0.74 vs. 2.5 ±1.2) than NM− individuals. Genetic background of NM+ included GOSR2 and SEMA6B, while that of NM− included ATM, KCNC3, NUS1, STPBN2, and GOSR2. NM was frequently preceded by positive myoclonus (PM) and silent‐period length was between 88 and 194 ms. EEG epileptiform discharges were associated with NM in 2 cases. PM was classified as cortical in 5 NM+ and 2 NM− through EEG inspection, jerk‐locked back‐averaging, or CMC analysis.DiscussionNeurophysiological examination is crucial for detecting NM that could be missed on clinical examination due to a preceding PM. Evidence points to a cortical origin of NM, an association with more severe motor phenotype, and suggests the presence of genetic disorders causing either a PMA or progressive myoclonus epilepsy, rather than pure PMA phenotype. © 2024 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society.
Reconstruction of multi‐phase parametric maps in 4D‐magnetic resonance fingerprinting (4D‐MRF) by optimization of local T1 and T2 sensitivities
Authors: Wong Yat Lam , Li Tian , Liu Chenyang , Lee Ho‐Fun Victor , Cheung Lai‐Yin Andy , Hui Edward Sai Kam , Cao Peng , Cai Jing 
Published: February 2024

AbstractBackgroundTime‐resolved magnetic resonance fingerprinting (MRF), or 4D‐MRF, has been demonstrated its feasibility in motion management in radiotherapy (RT). However, the prohibitive long acquisition time is one of challenges of the clinical implementation of 4D‐MRF. The shortening of acquisition time causes data insufficiency in each respiratory phase, leading to poor accuracies and consistencies of the predicted tissues’ properties of each phase.PurposeTo develop a technique for the reconstruction of multi‐phase parametric maps in four‐dimensional magnetic resonance fingerprinting (4D‐MRF) through the optimization of local T1 and T2 sensitivities.MethodsThe proposed technique employed an iterative optimization to tailor the data arrangement of each phase by manipulation of inter‐phase frames, such that the T1 and T2 sensitivities, which were quantified by the modified Minkowski distance, of the truncated signal evolution curve was maximized. The multi‐phase signal evolution curves were modified by sliding window reconstruction and inter‐phase frame sharing (SWIFS). Motion correction (MC) and dot product matching were sequentially performed on the modified signal evolution and dictionary to reconstruct the multi‐parametric maps. The proposed technique was evaluated by numerical simulations using the extended cardiac‐torso (XCAT) phantom with regular and irregular breathing patterns, and by in vivo MRF data of three health volunteers and six liver cancer patients acquired at a 3.0 T scanner.ResultsIn simulation study, the proposed SWIFS approach achieved the overall mean absolute percentage error (MAPE) of 8.62% ± 1.59% and 16.2% ± 3.88% for the eight‐phases T1 and T2 maps, respectively, in the sagittal view with irregular breathing patterns. In contrast, the overall MAPE of T1 and T2 maps generated by the conventional approach with multiple MRF repetitions were 22.1% ± 11.0% and 30.8% ± 14.9%, respectively. For in‐vivo study, the predicted mean T1 and T2 of liver by the proposed SWIFS approach were 795 ms ± 38.9 ms and 58.3 ms ± 11.7 ms, respectively.ConclusionsBoth simulation and in vivo results showed that the approach empowered by T1 and T2 sensitivities optimization and sliding window under the shortened acquisition of MRF had superior performance in the estimation of multi‐phase T1 and T2 maps as compared to the conventional approach with oversampling of MRF data.
Evidence of hot carrier extraction in metal halide perovskite solar cells
Authors: Sourabh Shashi , Afshari Hadi , Whiteside Vincent R. , Eperon Giles E. , Scheidt Rebecca A. , Creason Tielyr D. , Furis Madalina , Kirmani Ahmad R. , Saparov Bayram , Luther Joseph M. , Beard Matthew C. , Sellers Ian R. 
Published: February 2024

AbstractThe presence of hot carriers is presented in the operational properties of an (FA,Cs)Pb(I, Br, Cl)3 solar cell at ambient temperatures and under practical solar concentration. Albeit, in a device architecture that is not suitably designed as a functional hot carrier solar cell. At 100 K, clear evidence of hot carriers is observed in both the high energy tail of the photoluminescence spectra and from the appearance of a nonequilibrium photocurrent at higher fluence in light J–V measurements. At room temperature, however, the presence of hot carriers in the emission at elevated laser fluence is shown to compete with a gradual red shift in the PL peak energy as photoinduced halide segregation begins to occur at higher lattice temperature. The effects of thermionic emission of hot carriers and the presence of a nonequilibrium carrier distribution are also shown to be distinct from simple lattice heating. This results in large unsaturated photocurrents at high powers as the Fermi distribution exceeds that of the heterointerface controlling carrier transport and rectification.
MicroRNA miR‐285 modulates the metamorphosis in Galeruca daurica by targeting Br‐C
Authors: Wang Hai‐Chao , Li Ling , Zhang Jing‐Hang , Yao Zhi‐Han , Pang Bao‐Ping 
Published: February 2024

AbstractBACKGROUNDGaleruca daurica has become a new pest on the Inner Mongolia grasslands since an abrupt outbreak in 2009 caused serious damage. As a pupa indicator during insect metamorphosis, the early response gene of the ecdysone signaling pathway, Broad‐Complex (Br‐C), plays a vital role in the growth and development of insects. MicroRNAs (miRNAs) are small non‐coding RNAs which mediate various biological activities, but it is unknown whether and how Br‐C is regulated by miRNAs.RESULTSTemporal expression profiles revealed that miR‐285 and Br‐C basically displayed an opposite trend during larval–adult development, and Br‐C was sharply up‐regulated on the last day of final‐instar larvae while miR‐285 was significantly down‐regulated. Both dual‐luciferase reporter assay and miRNA–mRNA interaction assay indicated that miR‐285 interacts with the coding sequence of Br‐C and represses its expression. Not only overexpression but also downexpression of miR‐285 led to the failure of larval to pupal to adult metamorphosis. In addition, both overexpression of miR‐285 and silence of Br‐C inhibited the expression of Br‐C and other ecdysone signaling pathway genes, including E74, E75, ECR, FTZ‐F1, and HR3. On the contrary, suppressing miR‐285 obtained opposite results. Further experiments showed that 20‐hydroxyecdysone down‐regulated miR‐285 and up‐regulated Br‐C and above‐mentioned genes, whereas juvenile hormone alalogue (JHA) resulted in opposite effects.CONCLUSIONOur results reveal that miR‐285 is involved in mediating the metamorphosis in G. daurica by targeting Br‐C in the ecdysone signaling pathway. miR‐285 and its target Br‐C could be as a potential target for G. daurica management. © 2024 Society of Chemical Industry.
Oxidative Synthesis of Bioactive B‐3 Analogue of Procyanidin with 3,4‐cis Stereochemistry
Authors: Chilaka Achilonu Matthew , Veronica Ngubane Xolile 
Published: February 2024

AbstractProcyanidins are polyphenols naturally ubiquitous in fruits, grains, seeds, nuts, plant barks and vegetables. However, isolating the natural bioactive compounds from plant materials produces mixtures of proanthocyanidins that are difficult to separate, thus compromising the yield of the desired pure–form procyanidins. Therefore, there is a need to synthesise high–yield homogeneous procyanidin compounds with well‐defined stereo‐ and regiochemistry. This study describes a method for synthesising the free phenolic procyanidin B‐3 analogue. Treatment of a solution of tetra‐O‐benzyl‐3‐oxocatechin 3 b (1 equiv.) and penta‐O‐benzylcatechin 2 c (3 equiv.) with silver tetrafluoroborate (AgBF4) readily afford the per‐O‐benzyl ethers of 3‐oxo‐catechin‐(4→8)‐catechin 18 exclusively. Subsequent sodium borohydride reduction followed by catalytic hydrogenation afforded the free phenolic B‐3 procyanidin (catechin‐(4β→8)‐catechin) 20 with 3,4‐cis Stereochemistry in a good percentage yield of 86 %.
Synthesis, functionalization and assembly of monodisperse gold nanoparticles with potassium sodium tartrate as reducing agent
Authors: Deng Yonghong , Ge Linlin , Tang Junqi 
Published: February 2024

AbstractMonodisperse gold nanoparticles (AuNPs) are an important guarantee of their scientific value and technical reproducibility in applications. The tartrate has a similar molecule structure and physicochemical properties to citrate, bur is much less reducibility and is usually not favorable for the formation of monodisperse AuNPs. We have prepared monodisperse AuNPs with tartrate (potassium sodium tartrate) as reducing and capping agent. Various parameters affecting the monodisperse properties during the preparation of tartrate‐capped AuNPs were analyzed, such as reversing the order of reactant addition and ripening of seeds, while adjusting the synthesis parameters such as time, temperature, and pH value. The final results show that the addition of a trace amount of silver (Ag) ion into chloroauric acid, the monodispersed tartrate‐capped AuNPs can be obtained with the size range of 9–40 nm. The fabricated gold seeds and grown tartrate‐capped AuNPs have narrow size dispersions (or polydispersity, σ<10 %). The minimum size dispersion of AuNPs with twice growth steps was as low as 5.73 %. So, the weak reducing agent of tartrate is one of good candidates to synthesize the monodispersity of AuNPs. Additionally, tartrate‐capped AuNPs have good stability and can be easily modified and form a large two‐dimensional (2D) monolayer nanostructure film.