bluuebunny/crossref_metadata_2025 huggingface dataset:
Nanoarchitectonics: the method for everything in materials science
Authors: Ariga Katsuhiko
Published: January 2024

Nanotechnology has revealed the science of the nanoscale. The global challenge that will follow is to build functional materials with the knowledge of nanoscale phenomena. This task is carried out by nanoarchitectonics as a postnanotechnology concept. The goal of nanoarchitectonics is to build functional material systems by architecting atoms, molecules, and nanomaterials as building blocks. Fundamentally, all materials are made of atoms and molecules. Therefore, nanoarchitectonics, which architects materials from atoms and molecules, can be a universal way to create all materials. It may be said to be the method for everything in materials science. From atoms and molecules, which are basic units, to living cells, which are complex systems, all are components of nanoarchitectonics. This paper presents recent examples of nanoarchitectonics research at various size levels, from the atomic to the cellular level, specifically, (i) atomistic nanoarchitectonics, (ii) molecular nanoarchitectonics, (iii) supramolecular nanoarchitectonics, (iv) inorganic nanoarchitectonics, (v) biomolecular nanoarchitectonics, (vi) cell-mimic nanoarchitectonics, and (vii) cell-based nanoarchitectonics. The possibility of nanoarchitectonics, the method for everything in materials science, as an integrative challenge will then be explored.
Electrochemical study of N-acetyl neuraminic acid at gold-modified screen-printed carbon electrodes for a glycoprotein sensor of SARS-CoV-2
Authors: Syaifie Putri Hawa , Nasution Mochammad Arfin Fardiansyah , Rahmawati Isnaini , Saepudin Endang , Ivandini Tribidasari Anggraningrum
Published: January 2024

An electrochemical sensor of SARS-CoV-2 spike glycoprotein S1 has been developed using N-acetyl neuraminic acid (Neu5Ac) as the biosensing agent based on the interaction between Neu5Ac with the N-terminal domain of spike glycoprotein S1. Gold-modified screen-printed carbon electrodes (Au-SPCEs), prepared by electrochemical deposition of gold particles on a screen-printed carbon electrode surface, were used to detect the presence of the SARS-CoV-2 from the change in the electrochemical behavior of Neu5Ac. Cyclic voltammetry of Neu5Ac in phosphate buffer solution pH 7.6 using Au-SPCEs yielded a couple of oxidation and reduction peaks at potentials of +0.6 and 0.1 V (vs Ag/AgCl), respectively. The currents of both peaks linearly increased with the Neu5Ac concentrations in the range from 0 to 200 µM. A sensitivity of 0.77 mA/mM and 0.47 mA/mM for reduction and oxidation currents were observed, respectively, with estimated detection limits (LODs) of 51.05 µM and 35.77 µM. In the presence of SARS-CoV-2 spike glycoprotein S1, these current peaks decreased. At an optimum contact time of 30 min, a linear correlation to the current change of the reduction peaks was observed for the spike glycoprotein S1 over the concentration range 0 to 0.01 µg/mL. An estimated LOD of 0.7 ng/mL could be achieved with excellent stability (2.18% RSD value for n = 10), indicating that the sensor is promising for use in real applications of SARS-CoV-2 spike glycoprotein S1 detection.
Synthesis and physical properties of doubly-annulated [10]cycloparaphenylene
Authors: Sun Liansheng , Kayahara Eiichi , Nishinaga Tohru , Ball Melissa , Paley Daniel , Nuckolls Colin , Yamago Shigeru
Published: January 2024

A doubly annulated cycloparaphenylene (CPP), in which two [N]paraphenylenes share one benzene unit by meta (m)-connection, m-,m-phenylene-[2N]CPP with N = 5 (2a), was synthesized by double annulation between a CPP precursor and 1,5-dibromo-2,4-diiodobenzene followed by reductive aromatization. The structure of 2a was confirmed by NMR, mass spectroscopy, and single crystal X-ray diffraction analysis. As 2a has a figure-eight structure, it can have a twisted Möbius topology. However, the X-ray analysis clearly reveals a non-twisted Hückel topology in a solid state. The photophysical and electrochemical properties of 2a were also clarified. The studies proved that, while 2a can also be seen as ortho (o)-,o- or para (p)-,p-connected [10]CPP, 2a has an meta (m)-,m-connected electronic structure. The theoretical calculations also support this conclusion.
Effective synthesis of 1,4-diarylbutadienes via reductive desulfonylation of 1,3-butadienyl sulfones by proper choice of regioisomeric π-expanded pyrene photocatalysts
Authors: Watanabe Hikaru , Sato Takuma , Sumita Michiki , Shiroyama Mei , Sugawara Daichi , Tokuyama Tomoki , Okuda Yasuhiro , Wakamatsu Kan , Orita Akihiro
Published: January 2024

For the reductive desulfonylation of 1,3-butadienyl sulfones, we synthesized 1,3,6,8-tetra(phenylethynyl)pyrenes possessing (S)-citronellyloxy groups on the terminal phenyl rings at the ortho-, meta-, and para-positions to serve as photocatalysts. All of these pyrenes exhibited catalytic activity in the reductive desulfonylation of butadienyl sulfones when exposed to either green (514 nm) or blue LEDs (447 nm) in the presence of the sacrificial reducing agent i-Pr2NEt. The photocatalytic activities of these compounds could be fine-tuned by altering the position of the (S)-citronellyloxy group. Under green LEDs illumination, the ortho-(S)-citronellyloxy pyrene photocatalyst (S)-1 proved to be the most effective in the reductive desulfonylation of 1,4-diphenylbutadien-1-yl sulfone 4b to produce 1,4-diphenylbutadiene (5b) with an 88% yield. On the other hand, in the reductive desulfonylation of 1,2-diphenyethen-1-yl sulfone 4a, the para-(S)-citronellyloxy photocatalyst (S)-3 demonstrated high performance, producing stilbene (5a) with a 92% yield. Furthermore, the trio of pyrene photocatalysts proved to be highly efficient in promoting the reductive desulfonylation of functionalized dienyl sulfones as well as π-expanded dienyl sulfones. By judiciously selecting the suitable photocatalyst from the trio of (S)-1-3, these desulfonylation reactions could be rapidly and effectively accomplished.
Neutral Nazarov reaction using protic solvents as activators
Authors: Iwata Takayuki , Funatsu Shingo , Kajiwara Kohei , Shiota Yoshihito , Yoshizawa Kazunari , Shindo Mitsuru
Published: January 2024

Herein, we report a neutral Nazarov reaction using protic solvents instead of strong acids as activators. The key to the success of this reaction lies in the rational design of the divinyl ketone substrates. In particular, the introduction of electron-donating groups (EDGs) at the β- and β′-positions of the carbonyl group in the divinyl ketone increases the Lewis basicity dramatically, an EDG at α-position promotes the cyclization, and the presence of a phenoxy group at β-position enables the irreversible elimination of phenol from the cyclized intermediate, thus shifting the reversible cyclization to the product side. This phenol-releasing reaction can be applied to clip chemistry to target acidic biological environments.
Pd(II) and Pt(II) terpyridyl complexes: topoisomerase I inhibition and cytotoxicity
Authors: Nakai Misaki , Asano Kyohei , Shimada Kouyou , Kanno Keiko , Nakabayashi Yasuo , Alba Laurenzo , Funahashi Yasuhiro , Yano Shigenobu , Ishida Hitoshi
Published: January 2024

Pd(II) and Pt(II) terpyridyl complexes [MCl(terpy-COOH)]Cl where M = Pd(1) or Pt(2); terpy-COOH = 2,2′:6′,2″-terpyridine-4′-carboxylic acid] were synthesized. The Pd(II) complex was rapidly hydrolyzed because a Pd(II) ion was active in ligand substitution, while hydrolysis of the Pt(II) complex was slow because of its inactivity. Their topoisomerase inhibitory activity was examined: the Pd complex showed higher activity than the Pt complex. The complexes also bound with calf thymus DNA (ct-DNA): the binding constant of 1 was about twice as large as that of 2. The model studies suggested that the Pd complex coordinated faster with the His residue, to which topoisomerase bound phosphate ester, than the Pt complex. The cytotoxicity against HeLa cells was evaluated by adding bovine serum albumin (BSA): the Pd complex 1 was more cytotoxic than cisplatin, while no cytotoxicity was observed for the Pt complex 2. The binding constants of 2 with BSA were confirmed to be similar to those of 1. It is fascinating that the Pd complex, which has been conventionally considered to have low anticancer activity, shows higher cytotoxicity than the Pt complex with the same structure.
Intersystem crossing as vibronically induced phonon emission and absorption processes: a unified view of nonradiative transitions in a molecule
Authors: Ota Wataru , Uejima Motoyuki , Haruta Naoki , Sato Tohru
Published: January 2024

An analytical expression for the nonradiative rate constant is derived based on Fermi's golden rule within the mixed-spin crude adiabatic (CA) approximation. The mixed-spin CA basis is defined by a set of eigenstates for the electronic Hamiltonian that comprises the nonrelativistic electronic Hamiltonian and spin-orbit coupling clumped at the reference nuclear configuration. The mixed-spin basis differs from the pure-spin basis defined by a set of eigenstates for the nonrelativistic electronic Hamiltonian. The mixed-spin CA representation provides a unified view of the nonradiative transitions; both internal conversion and intersystem crossing (ISC) are regarded as vibronically induced phonon emission and absorption processes. The analytical expression enables us to determine important vibrational modes that are responsible for phonon emission/absorption (promoting modes) and accepting excitation energy (accepting modes) according to the selection rule of vibronic coupling. An advantage of the CA representation is that the spatial distribution of vibronic coupling is elucidated based on its density form, i.e. vibronic coupling density, which can be applied to theoretical molecular designs with controlled nonradiative processes. The calculated ISC rate constant for tetracene reproduces the experimental result well.
Pinpoint-fluorinated polycyclic aromatic hydrocarbons (F-PAHs) and their heteroaromatic analogs: syntheses, reactivities, and properties
Authors: Fuchibe Kohei , Fujita Takeshi , Ichikawa Junji
Published: January 2024

Pinpoint-fluorinated polycyclic aromatic hydrocarbons (F-PAHs) and their heteroaromatic analogs, which are regioselectively substituted by one or two fluorine atoms, were systematically synthesized by Friedel–Crafts cyclization of fluoroalkenes (2-trifluoromethyl-1-alkenes, 1,1-difluoro-1-alkenes, 1,1,2-trifluoro-1-alkenes, and 1,1-difluoroallenes) that were Al(III)-mediated, Pd(II)-catalyzed, and In(III)-catalyzed. The key feature of these reactions is ring closures that proceed via α-fluorine-stabilized CF2 cations and related species. Using an array of synthesized F-PAHs and their heteroaromatic analogs, their chemical reactivities and physical properties were investigated. (i) The reactivities of F-PAHs and their heteroaromatic analogs were used for further ring construction. (ii) The crystal structures of F-PAHs revealed that the planarity of their π-conjugated systems was not compromised because of the low steric demand of fluorine atoms. (iii) The introduction of fluorine atom(s) into PAH molecules increased their solubility in organic solvents, which was best exemplified by the high solubility of 6-fluoropicene (5.3 wt%) and 6,7-difluoropicene (5.4 wt%) in THF. (iv) One of the F-PAHs, 13-fluoropicene exhibited p-type semiconducting behavior (mobility 6.6 × 10−2 cm2/Vs by vacuum deposition; 1.3 × 10−4 cm2/Vs by spin casting using toluene as a solvent). (v) The HOMO–LUMO energy gaps of the F-PAHs were smaller than those of the corresponding fluorine-free PAH (i.e. picene) by 0.02 to 0.26 eV, and the HOMO and LUMO energy levels were lowered by 0.10 to 0.22 and 0.12 to 0.41 eV, respectively.
Pyrene-fused dioxaborine-based merocyanines with high brightness, photostability, and fluorogenic function for deep-skin tissue imaging of a living mouse
Authors: Nishihara Haruka , Watanabe Mai , Kawakami Ryosuke , Murakami Masamoto , Seki Hitomi , Osaki Katsuki , Tsuda Teruko , Imamura Takeshi , Hadano Shingo , Watanabe Shigeru , Niko Yosuke
Published: January 2024

Bright polymethine dyes, typified by carbocyanines, are employed in various fluorescence techniques such as the 3D visualization of living cell morphology and the tracking of extracellular vesicles in the blood vessels of a zebrafish. However, they often exhibit low photostability, particularly for dyes with red-shifted absorption/fluorescence wavelengths due to extended polymethine length, and limited photofunctionality. This limitation restricts their utility in specific applications requiring high-power excitation and/or a wash-free approaches. This study introduces novel merocyanine dyes, MCPY3 and MCPY5, comprising a newly developed pyrene-fused dioxaborine and polymethine chain. Despite their minimal polymethine lengths, their absorption/fluorescence wavelengths reside in the red to near infra-red regions due to the substantial π-conjugation system of pyrene. Moreover, they exhibit a considerably superior photostability to carbocyanine dyes and fluorogenic behavior between low (ON) and high (OFF) polar solvents, while maintaining brightness comparable to carbocyanine. Leveraging these advantages, the hydrophilic analogs of MCPY3, MCPY3S, were applied to two-photon microscopy imaging of the skin tissues on the finger of a living mouse. The dye clearly visualized the individual cell morphology in the epidermis and the elastin within the dermis, highlighting the potential of the new dye as a valuable tool for fundamental dermatological and histological studies.
Optimal design of hybrid renewable-energy microgrid system: a techno–economic–environment–social–reliability perspective
Authors: Gupta Manoj , Bhargava Annapurna
Published: January 2024

The main objective of this paper is to select the optimal model of a hybrid renewable-energy microgrid (MG) system for a village in India. The MG comprises solar photovoltaic (PV) modules, a wind turbine generator, a biomass generator, a battery bank, a diesel generator and an electric vehicle. The optimal model selection is based on technical, economic, environmental, social and reliability parameters. A novel spoonbill swarm optimization algorithm is proposed to select the best hybrid MG system. The optimization results are compared with particle swarm optimization, the genetic algorithm and the grasshopper optimization algorithm. The number or size of components of the optimized MG system is 215 PV modules, 92 kW of wind turbine generation, 25 kW of biomass generation, 267 batteries, 22 kW of electric vehicles and 30 kW of diesel generation. The optimized system was selected based on technical factors such as renewable dispersion (93.5%), the duty factor (5.85) and excess energy (15 975 kWh/year) as well as economic considerations including the net present cost (Rs. 34 686 622) and the cost of energy (9.3 Rs./kWh). Furthermore, environmental factors such as carbon emissions (396 348 kg/year) and atmospheric particulate matter (22.686 kg/year); social factors such as the human progress index (0.68411), the employment generation factor (0.0389) and local employment generation (15.64643); and reliability parameters including loss of power supply probability (0.01%) and availability index (99.99%) were considered during the selection process. The spoonbill swarm optimization algorithm has reduced the convergence time by 1.2 times and decreased the number of iterations by 0.83 times compared with other algorithms. The performance of the MG system is validated in the MATLAB® environment. The results show that the MG system is the optimal system considering technical, economic, environmental, social and reliability parameters. Additionally, the spoonbill swarm optimization algorithm is found to be more efficient than the other algorithms in terms of iteration time and convergence time.
A hybrid solar–biogas system for post-COVID-19 rural energy access
Authors: Overen Ochuko K , Obileke KeChrist , Meyer Edson L , Makaka Golden , Apeh Oliver O
Published: January 2024

Solar home systems for rural electrification are often designed with a limited energy supply, which presents a drawback for the technology. Furthermore, uncontrolled livestock faeces in rural communities constitute environmental sanitation and health risks. Livestock excrement can be used through a biogas digester to supplement solar energy to provide adequate and sustainable electricity access to underserved rural communities while achieving waste management. Therefore, this study presents a hybrid solar–biogas system for a more dynamic energy supply and waste management for post-Covid recovery plans in rural communities. A parametric research approach that involves the use of the Integrated Environment Solution Virtual Environment software application and mathematical models to design the desired household load and the hybrid system sizing is used in the study. The findings show that the daily household energy consumption was 6.6 kWh, equivalent to 206.40 kWh/month. A 1.2-kWp and 1.2-m3 hybrid solar–biogas system was found to adequately power the house. Financially, the total initial investment cost of the system was $5777.20 with a net present value of $6566.78, net profit of $4443.6, a payback period of 14 years and 8 months, and a levelized cost of energy of $0.21/kWh; these include a 60% initial investment and maintenance costs subsidy. Energy performance contracting and energy-as-a-service were recommended to effectively run and operate the system. The study successfully revealed the design, specifications and upscaling mechanism of the proposed hybrid solar–biogas system. More research is required to unveil the efficacy of the system, the performance gap and the perception of the technology by the beneficiaries.
Exploring commercial water electrolyser systems: a data-based analysis of product characteristics
Authors: Jin Xin , You Shi , Petersen Marianne , Riofrio Jonathan , Thakur Soumya , Træholt Chresten , Feng Zhijian
Published: January 2024

The urgency for energy transition is evident through the increasing demand for new technologies such as water electrolysers (WEs), which have the potential to generate green hydrogen using renewable electricity. This paper aims to provide a comprehensive overview of the technical capabilities of commercially available WE system products. The analysis is based on publicly accessible data gathered from 28 WE manufacturers worldwide with a total of 186 products, focusing on technology types and various technical characteristics of each WE system, including capacity, footprint, hydrogen output pressure, hydrogen purity and conversion rate. The analysis reveals that the current WE system solutions in the market exhibit diverse and varied characteristics. Further, there is a lack of standardized product specifications adopted by manufacturers. This underscores the urgent need for the development of frameworks and standards. Implementing such standards is crucial for enhancing clarity and understanding, facilitating efficient comparisons and selection processes, and supporting the future advancement of WE technologies and WE-enabled Power-to-X applications on a global scale.
Successful sirolimus treatment of spindle cell haemangiomas in a paediatric patient with Maffucci syndrome
Authors: He Rui , Wang Yanni , Ma Lin , Zhang Nan , Zhang Bin
Published: January 2024

A case of Maffucci syndrome in a paediatric patient was treated satisfactorily with sirolimus, creating an opportunity for complete surgical excision of spindle cell haemangiomas.
Triphosgene crosslinked lignin-based loose nanofiltration membrane with high dye/salt separation performance, anti-fouling, and bactericidal property
Authors: He Zhenyu , Zhang Na , Zhao Li , Li Qiang , Baqiah Hussein , Cui Wanling , Deng Huining
Published: January 2024

A high-performance lignin-based loose nanofiltration membrane is fabricated using quaternized lignin as a novel raw material and triphosgene as a crosslinker. It has high pure water permeance (33.8 L m−2 h−1 bar−1), dye rejections, and low salt rejections during the separation of dye/salt mixtures. The quaternary ammonium functional groups endow the membrane with excellent antibacterial properties. It also has satisfactory dye-fouling resistance and separation-performance stability. Triphosgene plays an important role in optimizing the membrane structure and enhancing permeability.
Enhancement of photochromic molecule decolorization by coating a thin Ti(O) layer over gold nanoparticles
Authors: Higashida Suguru , Toku Ryota , Nakano Genta , Mizutsu Ryo , Asato Ryosuke , Louis Marine , Akiyama Tsuyoshi , Kawai Tsuyoshi
Published: January 2024

Photochemical decolorization reaction of terarylenes with a hydroxy or a methoxy group is studied on the surface of gold nanoparticles (AuNPs)/TiO2 thin hybrid film. AuNPs were deposited on TiO2 film after UV irradiation with HAuCl4. The colored form of terarylenes could not be decolorized at the bare AuNPs on TiO2 under irradiation of green light (530 nm in wavelength). On the other hand, effective decolorization activity of terarylene, having a hydroxy group, was observed at the surface of AuNPs/TiO2 hybrid film with an optimized number of Ti(O) insulator layers on AuNPs. The mechanism for the enhanced decoloration is proposed based on the difference in the substituent of the terarylenes.
Assessment of the applicability of the LFC/3D-RISM-SCF scheme for pKa prediction in methanol solutions
Authors: Fujiki Ryo , Matsui Toru , Shigeta Yasuteru , Yoshida Norio , Nakano Haruyuki
Published: January 2024

The applicability of the linear fitting correction with the three-dimensional reference interaction-site model self-consistent field (LFC/3D-RISM-SCF) scheme, a pKa prediction scheme, for methanol solutions was investigated. The correlation between experimental and predicted pKa values of dissociative molecules with phenol, amine, and carboxyl derivatives was examined. The pKa values of the LFC/3D-RISM-SCF results showed a good linear correlation with the experimental pKa. This result demonstrates that the LFC/3D-RISM-SCF method can be applied to a variety of solvents other than water.
Determination of Fe2+ in tin oxide-containing glass through valence-selective solvent extraction and colorimetric analysis following glass decomposition
Authors: Kanno Naoki , Murata Makiko , Saijo Yoshitaka , Nakase Masahiko
Published: January 2024

This study explores the determination of ferrous (Fe2+) and ferric (Fe3+) ion concentrations in tin (Sn)-containing glass within a standard chemical laboratory setting, aiming to evaluate their applicability in mass-production sites. A novel method is presented for determining Fe2+ concentration in Sn-containing glass by adjusting the acid concentration during glass decomposition and solvent extraction using bis(2-ethylhexyl) hydrogen phosphate dissolved in n-dodecane. The results for Fe2+ and total Fe agreed with the certified values for Sn-containing glass.
Synthesis and structural characterization of benzene-1,3-disulfonamide-containing 11- to 13-membered heterocycles via double Mitsunobu annulation
Authors: Kaneda Kyosuke , Koideya Takato , Toshima Ryuji , Konno Yoshiki , Yamagishi Takehiro
Published: January 2024

The synthesis and 3D-conformation of several novel benzene-1,3-disulfonamides-containing 11- to 13-membered heterocycles have been achieved. Double Mitsunobu annulation was effective for the construction of medium to large ring systems in moderate chemical yields. In addition, the flexibility of sulfonamide moieties in these rings was determined by X-ray crystal structural analysis.
Synthesis of 1,1,4,4-tetra-aryl-1,3-butadienes possessing sulfur substituents at 2,3-positions via dithiol intermediates and their characteristic electrochromic behaviors
Authors: Eguchi Hiroshi , Hifumi Ryoyu , Nishiyama Hiroki , Inagi Shinsuke , Tomita Ikuyoshi
Published: January 2024

Synthesis and reactions of 2,3-dimercapto-1,1,4,4-tetra-aryl-1,3-butadienes as versatile intermediates for sulfur-containing 1,1,4,4-tetra-aryl-1,3-butadiene derivatives are described. The dithiols were prepared from cyclic polysulfides and their structures were characterized by single-crystal X-ray diffraction analyses. Both cyclic dithioacetals and acyclic S,S′-dimethyl derivatives were prepared by facile reactions of the corresponding dithiols. The acyclic sulfur-substituted dienes exhibited electrochromic behavior in which the solution turned from colorless to dark purple under an external electric field above a potential of 0.3 V vs Fc/Fc+.
Solvent dependence on the thermal cycloreversion reaction of photochromic diarylbenzene derivatives
Authors: Morimoto Yusuke , Kitagawa Daichi , Hamatani Shota , Kobatake Seiya
Published: January 2024

In this study, we investigated the solvent dependence on the thermal cycloreversion reaction of photochromic diarylbenzene derivatives. Interestingly, only in the case of a diarylbenzene derivative with methoxy groups, the thermal cycloreversion reaction was accelerated when protic solvents such as ethanol and methanol were used. Moreover, it was found that the thermal cycloreversion reaction was drastically accelerated by acid addition.
The effect of polymerizable monomers on the thickness and the growth rate of self-assembled smectic fibers
Authors: Sato Daichi , Sumino Yutaka , Yamamoto Takahiro , Muševič Igor , Takenaka Yoshiko
Published: January 2024

Liquid crystal (LC) fibers formed by the self-assembly of LC molecules are promising for optical devices. However, the LC fibers reported previously were metastable and not reliable. In this study, we fabricated LC fibers using polymerizable monomers (PM). The growth rate decreased and the thickness increased compared to those of pure LC fibers. Our results will be useful for photopolymerization and will provide information for the application of the LC fibers.
Hydrophobic functionalization of graphene oxide film by pulsed hexamethyldisiloxane plasma
Authors: Zhang Mengxing , Guan Denggao , Yang Haowei , Xu Cigang
Published: January 2024

Graphene oxide (GO) membranes show good separation performance in membrane distillation processes, which require at least a single-sided hydrophobic surface to resist liquid penetration, but such hydrophobic GO membrane cannot be facilely prepared by conventional wet chemical processes. Here, a pulsed plasma hexamethyldisiloxane (HMDSO) process was investigated, with the highest surface contact angle of 124° obtained. The results demonstrate that a plasma deposition process can provide a proper route to prepare surface-selective hydrophobic GO films, which facilitates their applications for membrane distillation processes and related fields.
Preparation of polyimide hollow particles using chemical imidization
Authors: Minoshima Nao , Michiura Takeru , Ouchi Takuto , Matsuno Shinya , Suzuki Nozomu , Suzuki Toyoko , Minami Hideto
Published: January 2024

Hollow polyimide (PI) particles were successfully prepared using chemical imidization with acetic anhydride and pyridine as the chemical imidization reagents. The imidization reagents were added to the dispersion in which N,N-dimethylformamide (DMF) droplets with dissolved poly(amic acid) (PAmA, the precursor of PI) were dispersed in a cyclohexane medium. In the absence of poly(n-butyl methacrylate) (P[n-BMA]) in PAmA/DMF droplets, approximately 10% of the PI particles had hollow structures. Conversely, in the presence of a small amount of P(n-BMA) in PAmA/DMF droplets (0.2∼1 wt%), all PI particles had hollow structures. The P(n-BMA) would affect the phase separation of the PI in the droplets, thereby promoting the formation of a hollow structure.
Synthesis of O- and N-substituted pentaiodobenzenes bearing σ-symmetric delocalized orbitals using site-selective nucleophilic aromatic substitution reactions
Authors: Takada Yuki , Minoura Mao , Furukawa Shunsuke , Saito Masaichi
Published: January 2024

We report the synthesis of oxygen- and nitrogen-substituted (O- and N-substituted) pentaiodobenzenes using site-selective nucleophilic aromatic substitution (SNAr) reactions. Single-crystal X-ray diffraction analysis and theoretical calculations of thus synthesized pentaiodobenzenes reveal that their highest occupied molecular orbital (HOMOs) are composed of circularly delocalized σ-symmetric orbitals, as found in hexa-substituted benzenes bearing heavy atoms such as selenium and iodine.
Synthesis of high-entropy alloy nanoparticles using microwave-assisted reduction and investigation of their enhanced electrochemical hydrogen evolution activity
Authors: Hashimoto Naoki , Kitaura Ryota , Mori Kohsuke , Yamashita Hiromi
Published: January 2024

High-entropy alloys (HEAs) are fascinating materials for novel catalysts because of their broad compositional space, which is enabled by entropy-driven mixing. Herein, HEA nanoparticles (NPs) containing Fe, Co, Ni, Cu, and Pd were successfully synthesized on reduced graphene oxide (rGO) by microwave-assisted reduction. Compared with the corresponding monometallic catalysts, the quinary FeCoNiCuPd/rGO demonstrated greater electrocatalytic activity toward the acidic hydrogen evolution reaction. Density functional theory calculations revealed that modification of the d-band center and the hydrogen affinity induced by multielemental mixing enhanced the electrocatalytic performance of the HEA.
Direct observation of light reflection by titania particles
Authors: Miki Hiroyuki , Akai Shiho , Toyotama Akiko , Okuzono Tohru , Mata Jitendra , Yamanaka Junpei
Published: January 2024

We report on light refraction by titania particles with a high refractive index (approximately 2.4). Clusters of titania particles modified using a fluorescent dye, rhodamine B isothiocyanate, and nonfluorescent titania particles were prepared. When the clusters were irradiated using light at the excitation wavelength of the fluorescent dye, the edges of the bound nonfluorescent particles glowed brightly. Geometric optics and finite difference time domain calculations revealed that this phenomenon was due to a lens effect caused by titania particles.
Latent Tuberculosis Infection Testing Practices in a Large US Integrated Healthcare System
Authors: Ku Jennifer H , Fischer Heidi , Qian Lei X , Li Kris , Skarbinski Jacek , Shaw Sally , Bruxvoort Katia J , Lewin Bruno J , Spence Brigitte C , Tartof Sara Y
Published: January 2024

Background

Tuberculosis (TB) is a public health threat, with >80% of active TB in the United States occurring due to reactivation of latent TB infection (LTBI). We may be underscreening those with high risk for LTBI and overtesting those at lower risk. A better understanding of gaps in current LTBI testing practices in relation to LTBI test positivity is needed.

Methods

This study, conducted between 1 January 2008 and 31 December 2019 at Kaiser Permanente Southern California, included individuals aged ≥18 years without a history of active TB. We examined factors associated with LTBI testing and LTBI positivity.

Results

Among 3 816 884 adults (52% female, 37% White, 37% Hispanic, mean age 43.5 years [standard deviation, 16.1]), 706 367 (19%) were tested for LTBI, among whom 60 393 (9%) had ≥1 positive result. Among 1 211 971 individuals who met ≥1 screening criteria for LTBI, 210 025 (17%) were tested for LTBI. Factors associated with higher adjusted odds of testing positive included male sex (1.32; 95% confidence interval, 1.30–1.35), Asian/Pacific Islander (2.78, 2.68–2.88), current smoking (1.24, 1.20–1.28), diabetes (1.13, 1.09–1.16), hepatitis B (1.45, 1.34–1.57), hepatitis C (1.54, 1.44–1.66), and birth in a country with an elevated TB rate (3.40, 3.31–3.49). Despite being risk factors for testing positive for LTBI, none of these factors were associated with higher odds of LTBI testing.

Conclusions

Current LTBI testing practices may be missing individuals at high risk of LTBI. Additional work is needed to refine and implement screening guidelines that appropriately target testing for those at highest risk for LTBI.
Pruritus and protein-bound uremic toxins in patients undergoing hemodialysis: a cross-sectional study
Authors: Yamamoto Suguru , Tanaka Takahiro , Omori Kentaro , Ei Isei , Kikuchi Kaori , Konagai Ayano , Goto Shin , Kitamura Nobutaka , Narita Ichiei
Published: January 2024

Background

Patients undergoing hemodialysis frequently experience pruritus; its severity is associated with poor quality of life and mortality. Recent progress in hemodialysis treatment has improved the removal of small- and middle-molecular-weight molecules; however, the removal of protein-bound uremic toxins (PBUTs) remains difficult. It is possible that pruritus is associated with serum PBUTs in patients undergoing hemodialysis.

Methods

We conducted a multicenter cross-sectional study in patients undergoing hemodialysis (n = 135). The severity of pruritus was assessed using the 5D-itch scale and medication use. Serum PBUTs, including indoxyl sulfate, p-cresyl sulfate, indole acetic acid, phenyl sulfate, and hippuric acid, were measured using mass spectrometry; the PBUT score was calculated from these toxins using principal component analysis. Univariate and multiple regression analyses were performed to examine independent predictors of pruritus.

Results

Pruritus was reported by 62.2%, 21.5%, and 13.3%, 1.5% and 0.7% as 5 (not at all), 6–10, 11–15, 16–20, and 21–25 points, respectively. The PBUT score was higher in patients undergoing dialysis having pruritus than those without pruritus (0.201 [–0.021 to 0.424] vs –0.120 [–0.326 to 0.087]; P = 0.046). The PBUT score was shown to have an association with the presence of pruritus (coefficient 0.498$\ \pm \ $0.225, odds ratio: 1.65 [1.06–2.56]; P = 0.027).

Conclusion

Uremic pruritus was frequently found and associated with the PBUT score in patients undergoing hemodialysis. Further studies are required to clarify the impact of PBUTs on uremic pruritus and to explore therapeutic strategies in patients undergoing hemodialysis.
Automatic detection of posterior superior alveolar artery in dental cone-beam CT images using a deeply supervised multi-scale 3D network
Authors: Park Jae-An , Kim DaEl , Yang Su , Kang Ju-Hee , Kim Jo-Eun , Huh Kyung-Hoe , Lee Sam-Sun , Yi Won-Jin , Heo Min-Suk
Published: January 2024

Objectives

This study aimed to develop a robust and accurate deep learning network for detecting the posterior superior alveolar artery (PSAA) in dental cone-beam CT (CBCT) images, focusing on the precise localization of the centre pixel as a critical centreline pixel.

Methods

PSAA locations were manually labelled on dental CBCT data from 150 subjects. The left maxillary sinus images were horizontally flipped. In total, 300 datasets were created. Six different deep learning networks were trained, including 3D U-Net, deeply supervised 3D U-Net (3D U-Net DS), multi-scale deeply supervised 3D U-Net (3D U-Net MSDS), 3D Attention U-Net, 3D V-Net, and 3D Dense U-Net. The performance evaluation involved predicting the centre pixel of the PSAA. This was assessed using mean absolute error (MAE), mean radial error (MRE), and successful detection rate (SDR).

Results

The 3D U-Net MSDS achieved the best prediction performance among the tested networks, with an MAE measurement of 0.696 ± 1.552 mm and MRE of 1.101 ± 2.270 mm. In comparison, the 3D U-Net showed the lowest performance. The 3D U-Net MSDS demonstrated a SDR of 95% within a 2 mm MAE. This was a significantly higher result than other networks that achieved a detection rate of over 80%.

Conclusions

This study presents a robust deep learning network for accurate PSAA detection in dental CBCT images, emphasizing precise centre pixel localization. The method achieves high accuracy in locating small vessels, such as the PSAA, and has the potential to enhance detection accuracy and efficiency, thus impacting oral and maxillofacial surgery planning and decision-making.
Comparison of deep learning methods for the radiographic detection of patients with different periodontitis stages
Authors: Guler Ayyildiz Berceste , Karakis Rukiye , Terzioglu Busra , Ozdemir Durmus
Published: January 2024

Objectives

The objective of this study is to assess the accuracy of computer-assisted periodontal classification bone loss staging using deep learning (DL) methods on panoramic radiographs and to compare the performance of various models and layers.

Methods

Panoramic radiographs were diagnosed and classified into 3 groups, namely “healthy,” “Stage1/2,” and “Stage3/4,” and stored in separate folders. The feature extraction stage involved transferring and retraining the feature extraction layers and weights from 3 models, namely ResNet50, DenseNet121, and InceptionV3, which were proposed for classifying the ImageNet dataset, to 3 DL models designed for classifying periodontal bone loss. The features obtained from global average pooling (GAP), global max pooling (GMP), or flatten layers (FL) of convolutional neural network (CNN) models were used as input to the 8 different machine learning (ML) models. In addition, the features obtained from the GAP, GMP, or FL of the DL models were reduced using the minimum redundancy maximum relevance (mRMR) method and then classified again with 8 ML models.

Results

A total of 2533 panoramic radiographs, including 721 in the healthy group, 842 in the Stage1/2 group, and 970 in the Stage3/4 group, were included in the dataset. The average performance values of DenseNet121 + GAP-based and DenseNet121 + GAP + mRMR-based ML techniques on 10 subdatasets and ML models developed using 2 feature selection techniques outperformed CNN models.

Conclusions

The new DenseNet121 + GAP + mRMR-based support vector machine model developed in this study achieved higher performance in periodontal bone loss classification compared to other models in the literature by detecting effective features from raw images without the need for manual selection.
A nomogram based on ultrasound scoring system for differentiating between immunoglobulin G4-related sialadenitis and primary Sjögren syndrome
Authors: Su Huan-Zhong , Hong Long-Cheng , Huang Mei , Zhang Feng , Wu Yu-Hui , Zhang Zuo-Bing , Zhang Xiao-Dong
Published: January 2024

Objectives

Accurate distinguishing between immunoglobulin G4-related sialadenitis (IgG4-RS) and primary Sjögren syndrome (pSS) is crucial due to their different treatment approaches. This study aimed to construct and validate a nomogram based on the ultrasound (US) scoring system for the differentiation of IgG4-RS and pSS.

Methods

A total of 193 patients with a clinical diagnosis of IgG4-RS or pSS treated at our institution were enrolled in the training cohort (n = 135; IgG4-RS = 28, pSS = 107) and the validation cohort (n = 58; IgG4-RS = 15, pSS = 43). The least absolute shrinkage and selection operator regression algorithm was utilized to screen the most optimal clinical features and US scoring parameters. A model for the differential diagnosis of IgG4-RS or pSS was built using logistic regression and visualized as a nomogram. The performance levels of the nomogram model were evaluated and validated in both the training and validation cohorts.

Results

The nomogram incorporating clinical features and US scoring parameters showed better predictive value in differentiating IgG4-RS from pSS, with the area under the curves of 0.947 and 0.958 for the training cohort and the validation cohort, respectively. Decision curve analysis demonstrated that the nomogram was clinically useful.

Conclusions

A nomogram based on the US scoring system showed favourable predictive efficacy in differentiating IgG4-RS from pSS. It has the potential to aid in clinical decision-making.
Clinical value of random esophageal biopsies in patients with dysphagia and normal endoscopy who are treated with a proton pump inhibitor
Authors: Kamionkowski Sara , Shibli Fahmi , Saleh Sherif , Trujillo Sophie , Mengalle Erika , El Mokahal Ali , Thomas Charles , Song Gengqing , Fass Ronnie
Published: January 2024

Rome IV recommended esophageal biopsies in patients with dysphagia and normal endoscopy to exclude mucosal disease. Thus far, studies evaluating the utility of this recommendation remain scarce. The aims of this study were to determine the value of random esophageal biopsies in heartburn patients with dysphagia and normal endoscopy and compare the yield of random esophageal biopsies between younger versus older patients. Data were collected from consecutive patients presenting with dysphagia, 18 years and older, who were on proton pump inhibitors and had normal upper endoscopy. Biopsy results of patients with and without heartburn were recorded. Logistic regression analysis was used to compare normal versus abnormal biopsy results in younger and older patients accounting for confounding variables. The number of abnormal biopsies was significantly higher than normal biopsies (68% and 32%, respectively, P = 0.0001). Among abnormal biopsy results, microscopic gastroesophageal reflux disease was significantly more common than all other findings (39%, P = 0.0495). There was no significant difference in biopsy results in patients with and without heartburn as well as younger versus older patients (P = 0.3384, P = 0.1010, and P = 0.8468, respectively). Our study demonstrated that most patients with dysphagia and normal upper endoscopy who are on proton pump inhibitor have some type of histologic mucosal abnormality, which can direct future management. Among abnormal biopsies, microscopic reflux was by far the most common finding in patients with or without a history of heartburn. While this supports the management strategy proposed by Rome IV, age did not drive esophageal biopsy results.
Cost-effectiveness of catheter-based radiofrequency renal denervation for the treatment of uncontrolled hypertension: an analysis for the UK based on recent clinical evidence
Authors: Sharp Andrew S P , Cao Khoa N , Esler Murray D , Kandzari David E , Lobo Melvin D , Schmieder Roland E , Pietzsch Jan B
Published: January 2024

Aims

Catheter-based radiofrequency renal denervation (RF RDN) has recently been approved for clinical use in the European Society of Hypertension guidelines and by the US Food and Drug Administration. This study evaluated the lifetime cost-effectiveness of RF RDN using contemporary evidence.

Methods and results

A decision–analytic model based on multivariate risk equations projected clinical events, quality-adjusted life years (QALYs), and costs. The model consisted of seven health states: hypertension alone, myocardial infarction (MI), other symptomatic coronary artery disease, stroke, heart failure (HF), end-stage renal disease, and death. Risk reduction associated with changes in office systolic blood pressure (oSBP) was estimated based on a published meta-regression of hypertension trials. The base case effect size of −4.9 mmHg oSBP (observed vs. sham control) was taken from the SPYRAL HTN-ON MED trial of 337 patients. Costs were based on National Health Service England data. The incremental cost-effectiveness ratio (ICER) was evaluated against the UK National Institute for Health and Care Excellence (NICE) cost-effectiveness threshold of £20 000–30 000 per QALY gained. Extensive scenario and sensitivity analyses were conducted, including the ON-MED subgroup on three medications and pooled effect sizes. RF RDN resulted in a relative risk reduction in clinical events over 10 years (0.80 for stroke, 0.88 for MI, 0.72 for HF), with an increase in health benefit over a patient's lifetime, adding 0.35 QALYs at a cost of £4763, giving an ICER of £13 482 per QALY gained. Findings were robust across tested scenarios.

Conclusion

Catheter-based radiofrequency RDN can be a cost-effective strategy for uncontrolled hypertension in the UK, with an ICER substantially below the NICE cost-effectiveness threshold.
Characterization and natural history of different phenotypes in hereditary transthyretin amyloidosis: 40-year experience at a single Italian referral centre
Authors: Caponetti Angelo Giuseppe , Sguazzotti Maurizio , Accietto Antonella , Saturi Giulia , Ponziani Alberto , Giovannetti Alessandro , Massa Paolo , Ruotolo Irene , Sena Giuseppe , Zaccaro Andrea , Parisi Vanda , Bonfiglioli Rachele , Guaraldi Pietro , Gagliardi Christian , Cortelli Pietro , Galie Nazzareno , Biagini Elena , Longhi Simone
Published: January 2024

Aims

Hereditary transthyretin amyloidosis (ATTRv) is one of the leading aetiologies of systemic amyloidosis with more than 135 mutations described and a broad spectrum of clinical manifestations. We aimed to provide a systematic description of a population of individuals carrying pathogenic mutations of transthyretin (TTR) gene and to investigate the major clinical events during follow-up.

Methods and results

This was an observational, retrospective, cohort study including consecutive patients with mutations of TTR gene, admitted to a tertiary referral centre in Bologna, Italy, between 1984 and 2022. Three hundred twenty-five patients were included: 106 asymptomatic carriers, 49 cardiac phenotype, 49 neurological phenotype, and 121 mixed phenotype. Twenty-two different mutations were found, with Ile68Leu (41.8%), Val30Met (19%), and Glu89Gln (10%) being the most common. After a median follow-up of 51 months, 111 patients (38.3%) died and 9 (11.5%) of the 78 asymptomatic carriers developed ATTRv. Carriers had a prognosis comparable with healthy population, while no significant differences were seen among the three phenotypes adjusted by age. Age at diagnosis, New York Heart Association class III, left ventricular ejection fraction, modified polyneuropathy disability score IV, and disease-modifying therapy were independently associated with survival.

Conclusion

This study offers a wide and comprehensive overview of ATTRv from the point of view of a tertiary referral centre in Italy. Three main phenotypes can be identified (cardiac, neurological, and mixed) with specific clinical and instrumental features. Family screening programmes are essential to identify paucisymptomatic affected patients or unaffected carriers of the mutation, to be followed through the years. Lastly, disease-modifying therapy represents an evolving cornerstone of the management of ATTRv, with a great impact on mortality.
Exercise systolic blood pressure response during cycle ergometry is associated with future hypertension in normotensive individuals
Authors: Carlén Anna , Lindow Thomas , Cauwenberghs Nicholas , Elmberg Viktor , Brudin Lars , Ekström Magnus , Hedman Kristofer
Published: January 2024

Aims

We aimed to investigate the association between the exercise systolic blood pressure (SBP) response and future hypertension (HTN) in normotensive individuals referred for cycle ergometry, with special regard to reference exercise SBP values and exercise capacity.

Methods and results

In this longitudinal cohort study, data from 14 428 exercise tests were cross-linked with Swedish national registries on diagnoses and medications. We excluded individuals with a baseline diagnosis of cardiovascular disease or HTN. The peak exercise SBP (SBPpeak) was recorded and compared with the upper limit of normal (ULN) derived from SBPpeak reference equations incorporating age, sex, resting SBP, and exercise capacity. To evaluate the impact of exercise capacity, three SBP to work rate slopes (SBP/W-slopes) were calculated, relative to either supine or seated SBP at rest or to the first exercise SBP. Adjusted hazard ratios [HRadjusted (95% confidence interval, CI)] for incident HTN during follow-up, in relation to SBP response metrics, were calculated. We included 3895 normotensive individuals (49 ± 14 years, 45% females) with maximal cycle ergometer tests. During follow-up (median 7.5 years), 22% developed HTN. Higher SBPpeak and SBPpeak > ULN were associated with incident HTN [HRadjusted 1.19 (1.14–1.23) per 10 mmHg, and 1.95 (1.54–2.47), respectively]. All three SBP/W-slopes were positively associated with incident HTN, particularly the SBP/W-slope calculated as supine-to-peak SBP [HRadjusted 1.25 (1.19–1.31) per 1 mmHg/10 W].

Conclusion

Both SBPpeak > ULN based on reference values and high SBP/W-slopes were associated with incident HTN in normotensive individuals and should be considered in the evaluation of the cycle ergometry SBP response.