bluuebunny/crossref_metadata_2025 huggingface dataset:
Modulating the Electronic Structure of Cobalt in Molecular Catalysts via Coordination Environment Regulation for Highly Efficient Heterogeneous Nitrate Reduction
Authors: Sun Libo , Dai Chencheng , Wang Tianjiao , Jin Xindie , Xu Zhichuan J. , Wang Xin
Published: February 2024

Ammonia (NH3) is pivotal in modern industry and represents a promising next‐generation carbon‐free energy carrier. Electrocatalytic nitrate reduction reaction (eNO3RR) presents viable solutions for NH3 production and removal of ambient nitrate pollutants. However, the development of eNO3RR is hindered by lacking the efficient electrocatalysts. To address this challenge, we synthesized a series of macrocyclic molecular catalysts for the heterogeneous eNO3RR. These materials possess different coordination environments around metal centers by surrounding subunits. Consequently, electronic structures of the active centers can be altered, enabling tunable activity towards eNO3RR. Our investigation reveals that metal center with an N2(pyrrole)‐N2(pyridine) configuration demonstrates superior activity over the others and achieves a high NH3 Faradaic efficiency (FE) of over 90 % within the tested range, where the highest FE of approximately 94 % is obtained. Furthermore, it achieves a production rate of 11.28 mg mgcat−1 h−1, and a turnover frequency of up to 3.28 s−1. Further tests disclose that these molecular catalysts with diverse coordination environments showed different magnetic moments. Theoretical calculation results indicate that variated coordination environments can result in a d‐band center variation which eventually affects rate‐determining step energy and calculated magnetic moments, thus establishing a correlation between electronic structure, experimental activity, and computational parameters.
A novel Z‐scheme heterojunction g‐C3N4/g‐C3N4/Pr6O11 for efficient visible‐light photocatalytic degradation of sulfonamide
Authors: Li Qin , He Siyuan , Wang Liang , Zhao Mengxin , Guo Tao , Ma Xiaohu , Meng Zhe
Published: February 2024

Photocatalytic technology, as an environmentally friendly technology, has a great application promise in the treatment of environmental pollutants caused by residual pharmaceuticals emissions. The Z‐scheme heterojunction of g‐C3N4/g‐C3N4/Pr6O11 (Pr/CN) was successfully prepared by employing melamine, urea, and praseodymium nitrate as co‐precursors. The structure composition and photoelectrochemical properties were characterized by XRD, XPS, EDS, SEM, FETEM, UV–Vis, EIS, photocurrent, and PL analyses. The optimized 5wt%Pr/CN heterojunction degrade 98% of SCP, 85% of SMM, and 87% of SDM, respectively. Taking SCP as an example, the degradation rate is 8 and 11.2 times higher than that of the g‐C3N4/g‐C3N4 homojunction and g‐C3N4, respectively. The remarkable photocatalytic efficiency of Pr/CN heterojunction could be ascribed to enhanced visible light absorption and enhanced migration and separation of photogenerated charge carriers. Furthermore, the degradation products and degradation pathways of SCP and SMM were established by HPLC‐MS/MS analysis. In addition, the toxicity of the intermediate was evaluated with quantitative structure–activity relationship (QSAR) prediction and the biocompatibility of sulfonamide‐degrading solution over the Pr/CN photocatalyst was verified by the growth of wheat seeds.
Preparation, characterization, and computational study on transition metal complexes derived from thiophene Schiff base and evaluation of their cytotoxicity against hepatic cell line, antioxidant activities, and ligand's anticorrosive properties
Authors: Sayed Fatma N. , Ashmawy Ashraf M. , Mohamed Gehad G. , Deghadi Reem G.
Published: February 2024

Novel thiophene Schiff base ligand (L) was synthesized through the condensation of 2‐thiophene‐methylamine and 3‐formyl‐4‐methoxyphenylboronic acid. Transition metal complexes with the formulae [M(L)(H2O)2Cl]Cl2.xH2O (M = Er(III), x = 4 and La(III), x = 5) and [M(L)(H2O)Cl2]Cl.xH2O (M = Yb(III), x = 4 and Ru(III), x = 0) were synthesized. Different spectral and physicochemical methods were used to confirm and identify the stoichiometry, structure, and bonding style of transition metal chelates. The creation of 1:1 molar ratio (M:L) complexes was supported by elemental data. According to IR spectra, the thiophene Schiff base ligand (L) acted as a tridentate ligand that is neutrally coordinated by S‐thiophene, N‐azomethine, and o‐methoxy groups. All chelates formed in octahedral structures according to the findings data. Thermogravimetric analysis (TG and DTG) was employed to examine the heat decomposition of these compounds. DFT/B3LYP method, a molecular modeling methodology, is used to support the expected shape of the produced ligand. Chemical hardness and softness, HOMO and LUMO energy levels, electrophilic index, bond lengths, angles, dipole moment, electronegativity, and other factors were calculated. Against HepG‐2 cell line, the in vitro anticancer activity of all chelates and free ligands was evaluated. These synthesized compounds showed good effectiveness. Additionally, DPPH scavenging was used to assess antioxidant activity, with extremely positive results. Molecular docking with the hepatic protein receptor 3ELJ was used to confirm the anticancer results. Finally, the effectiveness of the current thiophene ligand's ability to block Al‐Si alloys in 1 M HCl solution was examined utilizing electrochemical methods. The high inhibition efficiency was obtained revealing the effectiveness of using this thiophene Schiff base ligand on an industrial scale.
The effect of Cu(II) ion on antioxidant and DNA‐binding mechanism of baicalein and scutellarein: Spectroscopic, theoretical, and molecular docking study
Authors: Malček Šimunková Miriama , Štekláč Marek , Raptová Renáta , Gajdoš Peter , Čertík Milan , Malček Michal
Published: February 2024

Flavonoids are a group of polyphenolic compounds known to possess good radical scavenging activity. It was also shown that their anti/prooxidant properties are strongly structure‐dependent and can be modified by metal ion binding. The structural parameters also appear to be key factors during their DNA‐binding abilities. This work deals with spectroscopic and theoretical studies of two flavonoids, baicalein and scutellarein, alone, and in the presence of redox‐active metal ion Cu(II). Cu(II) is the catalytic active ion in Fenton‐like reactions and can enhance the production of reactive oxygen species or, when bound to the flavonoid, influence its antioxidant potential. UV–Vis spectroscopy showed that the electronic properties of the parent flavonoids are changed following the CuCl2 addition. Job's plot method revealed the 1:1 binding mode of interaction in DMSO and DMSO/PBS solvent. The ABTS•+ assay showed only a negligible effect of Cu(II) presence on the antioxidant properties of baicalein and scutellarein. The mix of the natural reductant, glutathione, with flavonoids showed a synergistic effect in ABTS•+ inhibition; however, this effect was suppressed by the presence of Cu(II). Absorption titration and molecular docking studies showed an effective DNA binding of both flavonoids that is further enhanced by the presence of Cu(II). DFT calculations were carried out to identify the most energetically stable Cu(II)–flavonoid structures as well as to determine the ability of their hydroxyl groups to undergo homolytic or heterolytic cleavage.
Fabrication of bone tissue engineering scaffolds with a hierarchical structure using combination of 3D printing/gas foaming techniques
Authors: Aghaiee Soroush , Azdast Taher , Hasanzadeh Rezgar , Farhangpazhouh Farhad
Published: February 2024

The goal of this research was to study and optimize the structure and geometric features of scaffolds made using a combined method of 3D printing and gas foaming. This endeavor aimed to produce scaffolds with a hierarchical structure that closely resemble bone tissue. The study examined the effects of saturation pressure, foam temperature, and foam time on the scaffolds using response surface methodology (RSM). RSM is statistical technique used for optimizing and analyzing processes by modeling relationship between input variables and output responses. The results of multi‐objective optimization showed that highest pressure (55 MPa), the shortest time (40 s), and the temperature of 68°C were the optimal conditions. RSM was also used to develop mathematical models of structural properties, dimensional accuracy, and mechanical strength, focusing on different foam parameters, which could be used to predict desired properties. Subsequently, the designed scaffold underwent MTT assay testing to assess cell toxicity indicating its biocompatibility. The results demonstrate that by using the correct foam parameters in combination with 3D printing, it is possible to achieve polymer scaffolds with proportional dimensions, geometry, and mechanical strength suitable for cell growth to use inside the human body.
Self‐cleaning antireflected surfaces based on treated PEO/SiO2 nanocomposite films
Authors: Ahmad Ahmad A. , Al‐Bataineh Qais M. , Bani‐Salameh Areen A. , Al Omari Rima H. , Telfah Ahmad
Published: February 2024

In this study, the polyethylene oxide (PEO)/SiO2 nanoparticles (NPs) nanocomposite films with various SiO2 NPs concentrations were prepared using an in situ formation of NPs in the polymer matrix for self‐cleaning antireflected surface applications. The effect of SiO2 NPs in PEO/SiO2 NPs nanocomposite films on the structural, morphological, chemical, thermal, optical, and electrical properties of PEO/SiO2 NPs nanocomposite films was performed. According to the x‐ray diffraction and the differential scanning calorimetry analysis, the crystallinity degree of the nanocomposite films decreases by increasing the SiO2 NPs concentrations. The bandgap energy of PEO/SiO2 NPs nanocomposite films decreases from 3.95 to 3.55 eV as the SiO2 NPs concentration increases up to 10 wt.%. The average electrical conductivity of the PEO/SiO2 NPs nanocomposite films increases from 5.1 × 10−7 to 2.0 × 10−6 S/cm as the SiO2 NPs concentration increases up to 10 wt.%. The refractive index decreases to 1.64 at 550 nm for the PEO/SiO2 NPs nanocomposite films with 10 wt.% of SiO2 NPs, and the water contact angle decreases to around 0° after thermal treatment, which confirms that the PEO/SiO2 NPs nanocomposite films can be used as self‐cleaning antireflected surfaces.
Enhancing flame retardancy and optical functionality in multifunctional devices through advanced design of phosphorus‐containing copoly(imide‐oxadiazole)s
Authors: Serbezeanu Diana , Homocianu Mihaela , Lisa Gabriela , Hamciuc Corneliu
Published: February 2024

The combination of flame retardance and optical functionality in phosphorus‐containing copoly(imide‐oxadiazole)s offers a remarkable opportunity for the development of advanced and multifunctional devices, including organic light‐emitting diodes, sensors, and photovoltaics. In this context, a series of phosphorus‐containing copoly(imide‐oxadiazole)s were synthesized through a polycondensation reaction. This involved an aromatic commercial dianhydride, 4,4′‐(4,4′‐isopropylidenediphenoxy)bis(phthalic anhydride), a diamine with phosphorus in the main and side chains, and various aromatic diamines with 1,3,4‐oxadiazole rings. To achieve this, a solution imidization method was employed, which effectively converted the poly(amic acid) intermediates into the corresponding polyimides with high efficiency. The chemical structure and thermal properties of the resulting polymers were investigated. All polymers exhibited high thermal stability. Moreover, the absorption bands observed in dichloromethane, N,N‐dimethylformamide, methanol, and N‐methyl‐2‐pyrrolidone exhibited weak intensities, appearing as shoulders, with maximum values around 270, 303, and 310 nm. In most solvents, the photoluminescence spectra of the polymers showed a single emission band. However, one of the polymers exhibited two emission bands due to pendant groups that disrupted the molecular structure. The fluorescence of these derivatives was influenced by the polarity and proticity of the solvents. Furthermore, they exhibited large Stokes shifts, indicating extended conjugation and the potential to maximize luminescence efficiency. Protonation and deprotonation of polyimides alter their optical properties. These findings provide insights for the design of materials with improved optical performance.
Microarchitecture of the penis bone (baculum) of a seal: A 3D morphometric examination using synchrotron and laboratory micro‐computed tomography
Authors: Hande Shreya S. , Andronowski Janna M. , Miller Edward H.
Published: February 2024

We examined the ultrastructure of the mammalian os penis at the high‐resolution synchrotron level. Previously, bacular microanatomy had only been investigated histologically. We studied the baculum of the harp seal (Pagophilus groenlandicus), in which the baculum varies more in size and shape than does a mechanically constrained bone (humerus). We (1) investigated the microarchitecture of bacula and humeri from the same seal specimens, and (2) described changes in bone micro‐ and macro‐morphology associated with age (n = 15, age range = 1–35 years) and bone type. We analyzed cross‐sectional geometry non‐destructively through laboratory micro‐computed tomography. We suggest that the midshaft may resist axial compression while the proximal region may resist torsion, based on measurements of cross‐sectional and cortical areas, perimeter, ratio of maximum and minimum moments of inertia, and polar moment of inertia. In addition, midshaft bacula may be less mechanosensitive than humeri, based on microstructural variables (e.g., volume, surface area, diameter associated with lacunae and cortical porosity) analyzed across age groupings. Our findings related to the microarchitecture of the pinniped baculum provide a basis for further studies on development, mechanical properties, functions, and adaptations in this and other pinniped species. Our use of a multi‐modal imaging approach was minimally destructive for reproducible and accurate comparison of three‐dimensional bone ultrastructure. Such methods, coupled with multidisciplinary analyses, enable diverse studies of bone biology, life history, and evolution using museum collections.
Multipathway regulation induced by 4‐(phenylsulfonyl)morpholine derivatives against triple‐negative breast cancer
Authors: Yang Fan‐Wei , Mai Te‐Lun , Lin Ying‐Chung Jimmy , Chen Yu‐Chen , Kuo Shang‐Che , Lin Chia‐Ming , Lee Meng‐Hsuan , Su Jung‐Chen
Published: February 2024

Phenotypic drug discovery (PDD) is an effective drug discovery approach by observation of therapeutic effects on disease phenotypes, especially in complex disease systems. Triple‐negative breast cancer (TNBC) is composed of several complex disease features, including high tumor heterogeneity, high invasive and metastatic potential, and a lack of effective therapeutic targets. Therefore, identifying effective and novel agents through PDD is a current trend in TNBC drug development. In this study, 23 novel small molecules were synthesized using 4‐(phenylsulfonyl)morpholine as a pharmacophore. Among these derivatives, GL24 (4m) exhibited the lowest half‐maximal inhibitory concentration value (0.90 µM) in MDA‐MB‐231 cells. To investigate the tumor‐suppressive mechanisms of GL24, transcriptomic analyses were used to detect the perturbation for gene expression upon GL24 treatment. Followed by gene ontology (GO) analysis, gene set enrichment analysis (GSEA), and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis, multiple ER stress‐dependent tumor suppressive signals were identified, such as unfolded protein response (UPR), p53 pathway, G2/M checkpoint, and E2F targets. Most of the identified pathways triggered by GL24 eventually led to cell‐cycle arrest and then to apoptosis. In summary, we developed a novel 4‐(phenylsulfonyl)morpholine derivative GL24 with a strong potential for inhibiting TNBC cell growth through ER stress‐dependent tumor suppressive signals.
Dual COX‐2 and 15‐LOX inhibition study of novel 4‐arylidine‐2‐mercapto‐1‐phenyl‐1H‐imidazolidin‐5(4H)‐ones: Design, synthesis, docking, and anti‐inflammatory activity
Authors: Osman Nermine A. , Soltan Mostafa K. , Rezq Samar , Flaherty Joseph , Romero Damian G. , Abdelkhalek Ahmed S.
Published: February 2024

Novel arylidene‐5(4H)‐imidazolone derivatives 4a–r were designed and evaluated as multidrug‐directed ligands, that is, inflammatory, proinflammatory mediators, and reactive oxygen species (ROS) inhibitors. All of the tested compounds showed cyclooxygenase (COX)‐1 inhibitory effect more than celecoxib and less than indomethacin and also demonstrated an improved inhibitory activity against 15‐lipoxygenase (15‐LOX). Compounds 4f, 4l, and 4p exhibited COX‐2 selectivity comparable to that of celecoxib, while 4k was the most selective COX‐2 inhibitor. Interestingly, the screened results showed that compound 4k exhibited a superior inhibition effect against 15‐LOX and was found to be the most selective COX‐2 inhibitor over celecoxib, whereas compound 4f showed promising COX‐2 and 15‐LOX inhibitory activities besides its inhibitory effect against ROS production and its lowering effect of both tumor necrosis factor‐α and interleukin‐6 levels by ∼80%. Moreover, compound 4f attenuated the lipopolysaccharide‐mediated increase in NF‐κB activation in RAW 264.7 macrophages. The preferred binding affinity of these molecules was confirmed by docking studies. We conclude that arylidene‐5(4H)‐imidazolone scaffolds provide promising hits for developing new synthons with anti‐inflammatory and antioxidant activities.
UHPLC‐ESI‐QTOF‐MS metabolite profiles of different extracts from Pelargonium endlicherianum parts and their biological properties based on network pharmacological approaches
Authors: Zengin Gokhan , Leyva‐Jiménez Francisco Javier , Fernández‐Ochoa Álvaro , Bouyahya Abdelhakim , Yildiztugay Evren , Carretero Antonio Segura , Mahomoodally Mohamad Fawzi , Ponniya Sathish Kumar M , Nilofar  , Koyuncu Ismail , Yüksekdağ Özgür , Cádiz‐Gurrea María de la Luz
Published: February 2024

In the present study, we aimed to investigate the chemical profiles and biological activities of different extracts (ethyl acetate, dichloromethane, ethanol, and water) of Pelargonium endlicherianum parts (aerial parts and roots). Free radical scavenging, reducing power, phosphomolybdenum, and metal chelating were assayed for antioxidant properties. To detect enzyme inhibitory properties, cholinesterase, amylase, glucosidase, and tyrosinase were chosen as target enzymes. The ethanol extract of the aerial parts contained higher amounts of total bioactive compounds (120.53 mg GAE/g‐24.46 mg RE/g). The ethanol and water extracts of these parts were tentatively characterized by UHPLC‐ESI‐QTOF‐MS and 95 compounds were annotated. In addition, the highest acetylcholiesterase (3.74 mg GALAE/g) and butyrylcholinesterase (3.92 mg GALAE/g) abilities were observed by the ethanol extract of roots. The water extract from aerial parts exhibited the most pronounced inhibitory effects on multiple cancer cell lines, especially A549 (IC50: 23.2 µg/mL) and HT‐29 (IC50: 27.43 µg/mL) cells. Using network pharmacology, P. endlicherianum compounds were studied against cancer, revealing well‐connected targets such as epidermal growth factor receptor (EGFR), phosphoinositide‐3‐kinase (PI3K), AKT, receptor tyrosine‐protein kinase erbB‐2, and growth factor receptor bound protein 2 (GRB2) with significant impact on cancer‐related pathways. The results could open a new path from natural treasure to functional applications with P. endlicherianum and highlight a new study on other uninvestigated Pelargonium species.
Construction of a Zero‐gap Flow‐Through Microfluidic Reactor with Porous RuO2‐IrO2@Pt Anode for Electrocatalytic Oxidation of Antibiotics in Water
Authors: Zhu Yunqing , Wang Huan , Li Bingqing , Wang Tian , Zhu Yunfu , Hou Jianing
Published: February 2024

In this study, a zero‐gap flow‐through microfluidic reactor was constructed for the degradation of tetracycline and norfloxacin in water using a porous Ti/RuO2‐IrO2@Pt electrode as the anode and porous titanium plate as the cathode. The operation parameters included electrolyte type, electrolyte concentration, current density, initial concentration of pollutants and pH, were investigated. The degradation efficiency and energy consumption were calculated and compared with traditional electrolyzer. In the zero‐gap flow‐through microfluidic reactor, 100 % of both tetracycline and norfloxacin can be decomposed in 15 min, and high mineralization rate were achieved under the optimized reaction condition. And the reaction was consistent with pseudo‐first‐order kinetics with k value of 0.492 cm−1 and 1.010 cm−1, for tetracycline and norfloxacin, respectively. In addition, the energy consumption was 28.33 kWh ⋅ kg−1 TC and 8.36 kWh ⋅ kg−1 NOR, for tetracycline and norfloxacin, respectively, which was much lower than that of traditional electrolyzer. The LC–MS results showed that tetracycline underwent a series of demethylation, dehydration and deamination reactions, and the norfloxacin went through ring opening reaction, decarboxylation and hydroxylation reaction, and finally both produced CO2 and H2O.
An alternative, versatile, high‐tolerance design of a modified Richter–Slevogt camera, using standard glasses
Authors: Gadey Nishant Neeraj
Published: February 2024

Prime‐focus catadioptric astrographs have been used for a long time in various astronomical applications. The prime advantage offered by them is the capability to produce remarkably wide fields of view, and hence generate a huge amount of data in relatively less observation time. An emerging application of such wide‐field astrographs is in the form of telescope arrays. While this has been implemented mostly, using commercial refractive lenses, low‐cost catadioptric objectives can be used as an alternative for wide‐field or high‐contrast array applications. Commercial catadioptric systems are generally available as modifications of Schmidt and Maksutov systems, that too, mostly in the Cassegrain configuration. Here, we present a low‐cost alternative prime focus camera design of Richter–Slevogt configuration, which is in turn an extension of the Houghton correctors. The Richter–Slevogt design has the potential for a very high performance due to several degrees of freedom. The presented one is a 150 mm aperture, system, providing 3.5° (circular) diffraction‐limited FOV (strehl ), using only standard glasses, N‐BK7 and F2. We present the performance analysis, tolerance sensitivity, and statistical (Monte‐Carlo) analysis for this design. Potential applications of the system, other than as an array are also briefly discussed.
Patient‐centred pathology reporting improves patient experience and understanding of disease in prostate cancer care
Authors: Al Saffar Haidar , Thomson Alice , Tan Jo‐Lynn S. , Wang Qiwei , Birch Emma , Koschel Samantha , Medhurst Elizabeth , Jobson Dale , Ong Sean , Moon Daniel A. , Murphy Declan , Lawrentschuk Nathan
Published: February 2024

Introduction and Objectives

Patient‐centred (PC) and holistic care improves patient satisfaction and health outcomes. We sought to investigate the benefit of utilising a PC pathology report in patients undergoing radical prostatectomy (RP) for prostate cancer (PCa). Our study aimed to evaluate and compare patient understanding of their PCa diagnosis after RP, upon receiving either a standard histopathology report or a personalised and PC report (PCR). Moreover, we evaluated knowledge retention at 4 weeks after the initial consultation.

Methods

We invited patients undergoing RP at three metropolitan Urology clinics to participate in our randomised controlled study. Patients were randomised to receive either a PCR or standard pathology report. Patient satisfaction questionnaires (Perceived Efficacy in Patient–Physician Interactions [PEPPI], Consultation and Relational Empathy [CARE] and Communication Assessment Tool [CAT]) and a knowledge test were conducted within 72 h of the initial appointment and again at 4 weeks. Accurate recollection of Gleason grade group (GGG) and extracapsular extension (ECE) were classified as ‘correct’. Baseline demographic data included age, education, marital and employment status, pre‐op prostate specific antigen (PSA) and clinical stage. Baseline data were tested for differences between groups using the Student's t test, chi‐squared test or Fisher's exact test depending on whether data were continuous, categorical or sparse. Comparison of correctly answered ‘knowledge’ questions was analysed using chi‐squared test. A significance level of p ≤ 0.05 was used.

Results

Data from 62 patients were analysed (30 standard vs. 32 PCR). No significant differences in baseline demographics were found between groups. Both groups reported high levels of satisfaction with their healthcare experiences in all domains of patient–physician rapport, empathy and communication. There were no significant differences between groups in PEPPI (p = 0.68), CAT (p = 0.39) and CARE (p = 0.66) scores, at baseline and 4 weeks. Ninety‐three per cent of patients who received the PCR understood the report while 90% felt the report added to their understanding of their PCa. Regarding patient knowledge, the PCR group had significantly more correct answers on GGG and ECE as compared with the standard report group at baseline and 4 weeks (p < 0.001 and 0.001, respectively).

Conclusions

Our findings demonstrate that PC pathology reports improve patient knowledge and understanding of their PCa that is retained for at least 4 weeks after initial receipt of results.
Utility of cystatin C and serum creatinine‐based glomerular filtration rate equations in predicting vancomycin clearance: A population pharmacokinetics analysis in elderly Chinese patients
Authors: Ling Jing , Yang Xuping , Dong Lulu , Jiang Yan , Zou Sulan , Hu Nan
Published: February 2024

Renal function is an important factor affecting the pharmacokinetics of vancomycin. The renal function in elderly patients gradually decreases with age. An accurate estimated glomerular filtration rate (GFR) is essential in drug dosing. The study aimed to determine the most appropriate renal function estimation equations to describe vancomycin pharmacokinetics in elderly patients using population pharmacokinetic analysis. Data were obtained retrospectively from elderly patients aged ≥65 years who received vancomycin for infection from September 2016 to January 2022. Renal function was estimated using the Cockcroft‐Gault equation (CG), Modification of Diet in Renal Disease equation (MDRD), three Chronic Kidney Disease Epidemiology Collaboration equations (CKD‐EPIcys‐scr, CKD‐EPIscr, and CKD‐EPIcys) and two Berlin Initiative Study equations (BIS‐1 and BIS‐2). The CKD‐EPIcys‐scr and BIS‐2 equations were based on cystatin C (Cys C) and serum creatinine (Scr). The others were based on Cys C or Scr. A nonlinear mixed effects model (NONMEM) was used to develop the population pharmacokinetic model. A total of 471 serum concentrations from 313 elderly patients were used to develop the population pharmacokinetic model. Weight and GFR were identified as significant covariates affecting the pharmacokinetics of vancomycin. Cys C and Scr‐based GFR (CKD‐EPIcys‐scr and BIS‐2) yielded significant improvement performance compared with the other equations in model building. The interindividual variability of CL was reduced from 49.4% to 23.6% and 49.4% to 23.7% in CKD‐EPIcys‐scr and BIS‐2 based models, respectively. However, greater interindividual variabilities of CL (from 26.6% to 29.0%) were represented in the other five models which were based on either Cys C or Scr. The GFR estimated by EPIcys‐scr and BIS‐2 equations and vancomycin CL exhibited a good correlation (r = 0.834 and 0.833). In the external validation with 124 serum concentrations, the predictive performances of the CKD‐EPIcys‐scr and BIS‐2 based models (the mean relative prediction errors were less than 1%, the mean relative absolute prediction errors were about 23%) were also superior to the other five models (the mean relative prediction errors were about 2%, the mean relative absolute prediction errors were greater than 25%) which are based on either Cys C or Scr. In this study, we determined that the equation used to estimate GFR can affect the population pharmacokinetic model fitting result. Population pharmacokinetics model with CKD‐EPIcys‐scr or BIS‐2 can be used to optimize vancomycin dosage in elderly Chinese patients.
Physicochemical characteristics of a nanocomposite film based on purified sodium carboxymethylcellulose and selenium nanoparticles
Authors: Yunusov Khaydar Ergashovich , Turakulov Fozil Mamaraim Ugli , Sarymsakov Abdushkur Abdukhalilovich , Yuldoshov Sherzod Abdullaevich , Rashidova Sayyora Sharafovna , Guohua Jiang
Published: February 2024

In this study, selenium nanoparticles (SeNPs) were synthesized and stabilized by reducing sodium selenite using ascorbic acid in an aqueous solution of sodium carboxymethylcellulose (Na‐CMC) with a degree of substitution of 0.97 and a degree of polymerization of 810. IR‐Fourier spectroscopy revealed that coordination bonds between functional groups in Na‐CMC and SeNPs resulted in the development of polymer‐metal complexes. UV–Vis spectroscopy, scanning electron microscopy (SEM), atomic force microscopy (AFM), and dynamic light scattering (DLS) methods were used to determine the SeNP sizes in the structure of the nanocomposite film. Investigation of the stabilization and nonstabilization of SeNPs over several cycles has shown that the effect of the polymer matrix of Na‐CMC on the stabilization of nanoparticles was achieved for 672 h, which was confirmed by the unchanged size distribution and resistance to change of the SeNPs synthesized in Na‐CMC solutions.
Abnormal functional connectivity of the occipital thalamus with the superior occipital gyrus is associated with mild cognitive impairment in elderly individuals with primary insomnia
Authors: Zhang Lin , Bai Linxin , Guo Zhenxing , Gao Jiahui , Wu Jingsong , Huang Jia , Liu Zhizhen
Published: February 2024

Study objectives

Primary insomnia (PI) triggers a decline in cognitive function, and the thalamus plays an integral role in this process; however, the mechanisms are unclear. The purpose of this study was to investigate the altered functional connectivity (FC) of the thalamus in PI patients with mild cognitive impairment (MCI) and to explore the potential neural mechanisms of thalamic involvement in these patients.

Methods

This case–control study was conducted in older adults from various communities in Fuzhou, China with a PI diagnosis. These participants underwent neuropsychological assessment and were matched in a 1:2 ratio to the healthy control (HC) group and the PI group according to sex, age, and education level. Resting‐state functional magnetic resonance imaging was used to explore changes in thalamic FC in PI patients. To further compare changes in thalamic and whole‐brain FC, we further divided the PI group into cognitively normal patients and patients with MCI according to the diagnostic criteria for MCI. The relationship between abnormal FC and cognitive function was investigated.

Results

The 28 HCs and 58 participants with PI showed significant differences in Montreal Cognitive Assessment (MoCA) scores (p = .044). In comparison to the HC group, the PI group showed enhanced FC of the occipital thalamus with the left inferior occipital gyrus, right lingual gyrus, left middle temporal gyrus, left superior marginal gyrus, left dorsolateral superior frontal gyrus, and right anterior central gyrus. The MoCA total score and the executive function, attention, and abstraction scores of PI patients with MCI (PI–MCI) were worse than those of PI patients without MCI. In comparison to the simple PI group, FC was enhanced in the PI–MCI group between the left occipital thalamus and the middle occipital gyrus, and between the right occipital thalamus and the right superior frontal gyrus, left middle frontal gyrus, right superior occipital gyrus, and orbital inferior frontal gyrus. There was a significant negative correlation between the MoCA total score and the enhanced FC between the right occipital thalamus and right superior occipital gyrus (r = −.419, p = .042).

Conclusion

The early onset of cognitive impairment in patients with PI is associated with altered FC between the thalamus and the cortex. Enhanced FC between the thalamus and the visual cortex, that is, the superior occipital gyrus, which is involved in attentional processing, may play a role in the early onset of cognitive impairment in insomnia patients. Moreover, due to the fact that PI patients “overdraw” the compensatory capacity of these brain regions earlier, the PI–MCI may fall into the abyss of “decompensation” faster and face more severe cognitive impairments.
Visual Cognitive Assessment Test: Utility of the brief cognitive battery for early screening of cognitive impairment in Chongqing, China
Authors: Liu Yidan , Xie Binbin , Li Qin , Xiao Shufang , Li Jiamin , Kandiah Nagaendran , Ng Kok Pin , Jiang Liumi , Li Xiaofeng
Published: February 2024

Objectives

Early detection of cognitive impairment is essential for timely intervention. Currently, most widely used cognitive screening tests are influenced by language and cultural differences; therefore, there is a need for the development of a language‐neutral, visual‐based cognitive assessment tool. The Visual Cognitive Assessment Test (VCAT), a 30‐point test that assesses memory, executive function, visuospatial function, attention, and language, has demonstrated its utility in a multilingual population. In this study, we evaluated the reliability, validity, and diagnostic performance of the VCAT for screening early cognitive impairment in Chongqing, China

Methods

A total of 134 individuals (49 healthy controls (HCs), 52 with mild cognitive impairment (MCI), and 33 with mild dementia) completed the Mini‐Mental State Examination (MMSE), Montreal Cognitive Assessment (MoCA), VCAT, and domain‐specific neuropsychological assessments. The diagnostic performances of MMSE, MoCA, and VCAT were evaluated using the area under the curve (AUC), sensitivity, and specificity. Construct validity of the VCAT was assessed with well‐established domain‐specific cognitive assessments. Reliability was measured using Cronbach's alpha.

Results

The VCAT and its subdomains demonstrated both good construct validity and internal consistency (α = 0.577). The performance of VCAT was comparable to that of MoCA and MMSE in differentiating mild dementia from nondemented groups (AUC: 0.940 vs. 0.902 and 0.977, respectively; p = .098 and .053) and in distinguishing cognitive impairment (CI) from HC (AUC: 0.929 vs. 0.899 and 0.891, respectively; p = .239 and .161), adjusted for education level. The optimal score range for VCAT in determining dementia, MCI, and HC was 0–14, 15–19, and 20–30, respectively.

Conclusion

The VCAT proves to be a reliable screening test for early cognitive impairment within our cohort. Being both language and cultural neutral, the VCAT has the potential to be utilized among a wider population within China.
Herpes zoster vaccination and the risk of dementia: A systematic review and meta‐analysis
Authors: Shah Sangam , Dahal Krishna , Thapa Sangharsha , Subedi Prativa , Paudel Basanta Sharma , Chand Swati , Salem Amr , Lammle Markus , Sah Ranjit , Krsak Martin
Published: February 2024

Introduction

Previous studies have reported a decreased risk of dementia with herpes zoster vaccination. Given this background, this systematic review and meta‐analysis aimed to investigate the association between herpes zoster vaccination and the risk of dementia.

Methods

We searched five databases until November 2023 for case–control, cross‐sectional, or cohort studies investigating the association of herpes zoster vaccination and dementia. Odds ratios and 95% confidence intervals (95% CIs) were pooled in the meta‐analysis. Meta‐regression, subgroup, and sensitivity analysis were also conducted.

Results

We evaluated a total of five studies (one cross‐sectional, one case–control, and four cohort studies) that included a total number of 103,615 patients who were vaccinated with herpes zoster vaccine. All the studies were of high quality, ranging from 7 to 9. Due to the high heterogeneity (I2 = 100%, p < .00001) observed in our study, a random effect model was used for the analysis. The pooled odds ratio was 0.84 (95% CI: 0.50, 1.43), p (overall effect) = .53), indicating that herpes zoster vaccination reduces the risk of dementia.

Conclusion

Herpes zoster vaccination is associated with a reduction of the risk of dementia. More epidemiological studies are needed to confirm the association.
Two‐Dimensional Materials Integrated in Electrochemical Biosensors for Virus Detection: Property Engineering Strategies and Device Applications
Authors: Wulandari Chandra , Septiani Ni Luh Wulan , Gumilar Gilang , Nugraha  , Wasisto Hutomo Suryo , Yuliarto Brian
Published: February 2024

Electrochemical biosensors have been widely used as advanced methods for virus detection. Ongoing efforts are being made to improve their performance by investigating novel materials as electrode modifiers. In this regard, two‐dimensional (2D) materials, such as graphene, transition metal dichalcogenides (TMDs), and transition metal carbides/nitrides (MXenes), have been extensively explored due to their exceptional structural and electrical properties for electrochemical biosensors. This review investigates and summarizes the recently developed 2D materials employed in virus detection. Various strategies to enhance the critical properties of 2D materials, including conductivity, surface area, active sites, selectivity, and wettability, on electrochemical biosensing platforms, which impact their performance, are discussed. Different types of 2D materials (pristine, derivatives, and composites) are described and subsequently evaluated regarding their applications in electrochemical biosensing. This review serves as a valuable guide for designing next‐generation, high‐performance electrochemical biosensors based on 2D materials.
A novel PDIA3/FTO/USP20 positive feedback regulatory loop induces osteogenic differentiation of preosteoblast in osteoporosis
Authors: Zhang Fei , Liu Chen , Chen Zhiyong , Zhao Chengyi
Published: February 2024

Osteoporosis is a chronic skeletal disease and the major source of risk for fractures in aged people. It is urgent to investigate the mechanism regulating osteoporosis for developing potential treatment and prevention strategies. Osteogenic differentiation of preosteoblast enhances bone formation, which might be a promising strategy for treatment and prevention of osteoporosis. Protein disulfide isomerase family A, member 3 (PDIA3) could induce bone formation, yet the role of PDIA3 in osteogenic differentiation of preosteoblast remains unknown. In this study, m6A RNA methylation was detected by methylated RNA immunoprecipitation (MeRIP), while mRNA stability was identified by RNA decay assay. Besides, protein−protein interaction and protein phosphorylation were determined using co‐immunoprecipitation (Co‐IP). Herein, results revealed that PDIA3 promoted osteogenic differentiation of preosteoblast MC3T3‐E1. Besides, PDIA3 mRNA methylation was suppressed by FTO alpha‐ketoglutarate dependent dioxygenase (FTO) as RNA methylation reduced PDIA3 mRNA stability during osteogenic differentiation of MC3T3‐E1 cells. Moreover, ubiquitin specific peptidase 20 (USP20) improved FTO level through inhibiting FTO degradation while PDIA3 increased FTO level by enhancing USP20 phosphorylation during osteogenic differentiation of MC3T3‐E1 cells, suggesting a positive feedback regulatory loop between PDIA3 and FTO. In summary, these findings indicated the mechanism of PDIA3 regulating osteogenic differentiation of preosteoblast and provided potential therapeutic targets for osteoporosis.
A small frontal lobe cavernoma presenting with headache mimicking migraine and complex focal seizure: A case report
Authors: Adhikari Prakriti , Nepali Anil , Shah Amit , Paudel Shailes , Bhandari Prakriti , Nepali Prakash
Published: February 2024

Key Clinical Message

Cavernoma, or cerebral cavernous angioma, are hamartomatous lesions formed by sinusoidal vascular spaces without cerebral parenchyma in between. Cavernoma is a rare disorder that is diagnosed infrequently and incidentally, so it is called incidentaloma. However, cavernoma can present with seizures, headaches, and other focal neurological deficits, with seizures being the most frequent presentation. Cavernoma is angiographically concealed, and it's diagnosis is challenging. So, the cavernoma is diagnosed based on an MRI. We present the rare case of a patient who presented with a complex focal seizure and migraine‐like headache caused by a small frontal lobe cavernoma.
Fusion of a maxillary third molar with a supernumerary fourth molar: A case report
Authors: Apessos Ioulianos , Memis Ioannis , Mikrogeorgis Georgios , Delantoni Antigoni , Dionysopoulos Dimitrios , Lillis Theodoros
Published: February 2024

Key Clinical Message

Dental fusion should be included in differential diagnosis when panoramic radiograph reveals changes in tooth shape or size. The use of specialized dental photographic techniques can augment the dentists' knowledge and awareness of such conditions.

Dental fusion of impacted teeth may show up as a change in tooth shape and size on the first radiographic examination. This report presents an impacted maxillary third molar fused with a peg‐like distomolar in a 20‐year‐old male. The patient presented with symptoms of localized periodontitis distal to the second molar, and radiographic examination revealed abnormal dental structure of the third molar. Surgical extraction of the impacted molar was the treatment of choice. The final diagnosis of fusion was based on data from ex vivo CBCT, photographs of the extracted tooth, and extracted tooth's sections using polarizing filters. Two‐dimensional radiographs may conceal special dental anatomies. Visualization of such cases using CBCT and dental photography serves to educate dentists and reduce postoperative complications. Knowledge and awareness of possible dental abnormalities are of utmost importance for successful treatment planning.
Is Unsupervised Dimensionality Reduction Sufficient to Decode the Complexities of Electrochemical Impedance Spectra?
Authors: Makogon Aleksei , Kanoufi Frederic , Shkirskiy Viacheslav
Published: February 2024

As electrochemical research undergoes rapid technological progression, the acquisition of substantial amounts of electrochemical impedance spectra (EIS) becomes increasingly feasible. Yet, this advancement introduces intricate challenges in data processing, automation, and interpretation. This paper delves into the sufficiency of unsupervised machine learning (ML) and in particular dimensionality reduction methods in decoding EIS complexities, examining its strengths, limitations, and potential pathways for optimization. As we navigated the intricacies of non‐linear dimensionality reduction, spotlighting t‐distributed stochastic neighbor embedding (t‐SNE) and uniform manifold approximation and projection (UMAP) algorithms, a pattern emerged: these techniques excel at categorizing divergent impedance spectra but show limitations when faced with analogous circuit configurations, especially those substituting a capacitor with a constant phase element. This observation not only underscores a limitation but also accentuates that unsupervised ML approaches, alone, may not fully unravel the nuances of EIS spectra. In the concluding section of our manuscript, we discuss the implications of this finding from a practical standpoint, particularly for electrochemists seeking to apply these methods in their work.
Zero‐Dimensional Carbon Nanomaterials for Electrochemical Energy Storage
Authors: Breczko Joanna , Wysocka‐Żołopa Monika , Grądzka Emilia , Winkler Krzysztof
Published: February 2024

Progress in research on high‐performance electrochemical energy storage devices depends strongly on the development of new materials. The 0‐dimensional carbon nanomaterials (fullerenes, carbon quantum dots, graphene quantum dots, and “small” carbon nano‐onions) are particularly recognized in this area of research. Their unique properties beneficial for batteries and supercapacitors application are the result of their small and controllable size, ranging from 1 to 10 nm, and their structure. Fullerenes stand out for the particularly precise structure and rich redox properties. Carbon‐based quantum dots and “small” carbon nano‐onions provide a bridge between molecular fullerenes and larger nanostructured carbon systems. For the electrochemical energy storage, 0‐dimensional carbon structures are usually present in nanostructured composites, which ensure high efficiency of devices. In this review, issues related to the contribution of 0‐dimensional carbon materials in improving batteries and supercapacitors. Particular attention has been paid to progress resulting from the use of composites of these carbon nanostructures with other electroactive materials. Much attention has also been devoted to issues related to the synthesis of 0‐dimensional carbon nanostructures enabling the control of their size, chemical composition and surface morphology. Finally, issues requiring additional research are highlighted.
Insights on advanced g‐C3N4 in energy storage: Applications, challenges, and future
Authors: Yang Xiaojie , Peng Jian , Zhao Lingfei , Zhang Hang , Li Jiayang , Yu Peng , Fan Yameng , Wang Jiazhao , Liu Huakun , Dou Shixue
Published: February 2024

Graphitic carbon nitride (g‐C3N4) is a highly recognized two‐dimensional semiconductor material known for its exceptional chemical and physical stability, environmental friendliness, and pollution‐free advantages. These remarkable properties have sparked extensive research in the field of energy storage. This review paper presents the latest advances in the utilization of g‐C3N4 in various energy storage technologies, including lithium‐ion batteries, lithium‐sulfur batteries, sodium‐ion batteries, potassium‐ion batteries, and supercapacitors. One of the key strengths of g‐C3N4 lies in its simple preparation process along with the ease of optimizing its material structure. It possesses abundant amino and Lewis basic groups, as well as a high density of nitrogen, enabling efficient charge transfer and electrolyte solution penetration. Moreover, the graphite‐like layered structure and the presence of large π bonds in g‐C3N4 contribute to its versatility in preparing multifunctional materials with different dimensions, element and group doping, and conjugated systems. These characteristics open up possibilities for expanding its application in energy storage devices. This article comprehensively reviews the research progress on g‐C3N4 in energy storage and highlights its potential for future applications in this field. By exploring the advantages and unique features of g‐C3N4, this paper provides valuable insights into harnessing the full potential of this material for energy storage applications.
Accessing Rare α‐Heterocyclic Aziridines via Brønsted Acid‐catalyzed Michael Addition/Annulation: Scope, Limitations, and Mechanism
Authors: Hilton Timothy A. , Leach Andrew G. , McKay Aidan P. , Watson Allan J. B.
Published: February 2024

We report an approach to the diastereoselective synthesis of 1,2‐disubstituted heterocyclic aziridines. A Brønsted acid‐catalyzed conjugate addition of anilines to trisubstituted heterocyclic chloroalkenes provides an intermediate 1,2‐chloroamine. Diastereocontrol was found to vary significantly with solvent selection, with computational modelling confirming selective, spontaneous fragmentation in the presence of trace acids, proceeding through a pseudo‐cyclic, protonated intermediate and transition state. These chloroamines can then be converted to the aziridine by treatment with LiHMDS with high stereochemical fidelity. This solvent‐induced stereochemical enrichment thereby enables an efficient route to rare cis‐aziridines with high dr. The scope, limitations, and mechanistic origins of selectivity are also presented.