bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimal slice thickness for object detection with longitudinal partial volume effects in computed tomography
Authors: Monnin Pascal , Sfameni Nicolas , Gianoli Achille , Ding Sandrine
Published: October 2023

Longitudinal partial volume effects (z‐axial PVE), which occur when an object partly occupies a slice, degrade image resolution and contrast in computed tomography (CT). Z‐axial PVE is unavoidable for subslice objects and reduces their contrast according to their fraction contained within the slice. This effect can be countered using a smaller slice thickness, but at the cost of an increased image noise or radiation dose. The aim of this study is to offer a tool for optimizing the reconstruction parameters (slice thickness and slice spacing) in CT protocols in the case of partial volume effects. This optimization is based on the tradeoff between axial resolution and noise. For that purpose, we developed a simplified analytical model investigating the average statistical effect of z‐axial PVE on contrast and contrast‐to‐noise ratio (CNR). A Catphan 500 phantom was scanned with various pitches and CTDI and reconstructed with different slice thicknesses to assess the visibility of subslice targets that simulate low contrast anatomical features present in CT exams. The detectability score of human observers was used to rank the perceptual image quality against the CNR. Contrast and CNR reduction due to z‐axial PVE measured on experimental data were first compared to numerical calculations and then to the analytical model. Compared to numerical calculations, the simplified algebraic model slightly overestimated the contrast but the differences remained below 5%. It could determine the optimal reconstruction parameters that maximize the objects visibility for a given dose in the case of z‐axial PVE. An optimal slice thickness equal to three‐fourth of the object width was correctly proposed by the model for nonoverlapping slices. The tradeoff between detectability and dose is maximized for a slice spacing of half the slice thickness associated with a slice width equal to the characteristic object width.
Utilization of a 3D printer to fabricate boluses used for electron therapy of skin lesions of the eye canthi
Authors: Łukowiak Magdalena , Jezierska Karolina , Boehlke Marek , Więcko Marzena , Łukowiak Adam , Podraza Wojciech , Lewocki Mirosław , Masojć Bartłomiej , Falco Michał
Published: October 2023

This work describes the use of 3D printing technology to create individualized boluses for patients treated with electron beam therapy for skin lesions of the eye canthi. It aimed to demonstrate the effectiveness of 3D‐printed over manually fabricated paraffin boluses. The study involved 11 patients for whom the construction of individual boluses were required. CT scans of the fabricated 3D‐printed boluses and paraffin boluses were acquired and superimposed onto patient CT scans to compare their fitting, bolus homogeneity, and underlying dose distribution. To quantify the level of matching, multiple metrics were utilized. Matching Level Index (ML) values ranged from 0 to 100%, where 100% indicated a perfect fit between the reference bolus (planned in treatment planning system) and 3D‐printed and paraffin bolus. The average ML (± 1 SD) of the 3D‐printed boluses was 95.1 ± 2.1%, compared to 46.0 ± 10.1% for the manually fabricated paraffin bolus. Correspondingly, mean doses were closer to the prescribed doses, and dose spreads were less for the dose distributions from the 3D‐printed boluses, as compared to those for the manually fabricated paraffin boluses. It was concluded that 3D‐printing technology is a viable method for fabricating boluses for small eye lesions and provides boluses superior to our boluses manually fabricated from paraffin sheets.
Online dosimetric evaluation of larynx SBRT: A pilot study to assess the necessity of adaptive replanning
Authors: Mao Weihua , Rozario Timothy , Lu Weiguo , Gu Xuejun , Yan Yulong , Jia Xun , Sumer Baran , Schwartz David L.
Published: October 2023

Purpose

We have initiated a multi‐institutional phase I trial of 5‐fraction stereotactic body radiotherapy (SBRT) for Stage III–IVa laryngeal cancer. We conducted this pilot dosimetric study to confirm potential utility of online adaptive replanning to preserve treatment quality.

Methods

We evaluated ten cases: five patients enrolled onto the current trial and five patients enrolled onto a separate phase I SBRT trial for early‐stage glottic larynx cancer. Baseline SBRT treatment plans were generated per protocol. Daily cone‐beam CT (CBCT) or diagnostic CT images were acquired prior to each treatment fraction. Simulation CT images and target volumes were deformably registered to daily volumetric images, the original SBRT plan was copied to the deformed images and contours, delivered dose distributions were re‐calculated on the deformed CT images. All of these were performed on a commercial treatment planning system. In‐house software was developed to propagate the delivered dose distribution back to reference CT images using the deformation information exported from the treatment planning system. Dosimetric differences were evaluated via dose‐volume histograms.

Results

We could evaluate dose within 10 minutes in all cases. Prescribed coverage to gross tumor volume (GTV) and clinical target volume (CTV) was uniformly preserved; however, intended prescription dose coverage of planning treatment volume (PTV) was lost in 53% of daily treatments (mean: 93.9%, range: 83.9–97.9%). Maximum bystander point dose limits to arytenoids, parotids, and spinal cord remained respected in all cases, although variances in carotid artery doses were observed in a minority of cases.

Conclusions

Although GTV and CTV SBRT dose coverage is preserved with in‐room three‐dimensional image guidance, PTV coverage can vary significantly from intended plans and dose to critical structures may exceed tolerances. Online adaptive treatment re‐planning is potentially necessary and clinically applicable to fully preserve treatment quality. Confirmatory trial accrual and analysis remains ongoing.
Influence of the jaw tracking technique on the dose calculation accuracy of small field VMAT plans
Authors: Swinnen Ans C.C. , Öllers Michel C. , Roijen Erik , Nijsten Sebastiaan M. , Verhaegen Frank
Published: October 2023

Purpose

The aim of this study was to evaluate experimentally the accuracy of the dose calculation algorithm AcurosXB in small field highly modulated Volumetric Modulated Arc Therapy (VMAT).

Method

The 1000SRS detector array inserted in the rotational Octavius 4D phantom (PTW) was used for 3D dose verification of VMAT treatments characterized by small to very small targets. Clinical treatment plans (n = 28) were recalculated on the phantom CT data set in the Eclipse TPS. All measurements were done on a Varian TrueBeamSTx, which can provide the jaw tracking technique (JTT). The effect of disabling the JTT, thereby fixing the jaws at static field size of 3 × 3 cm2 and applying the MLC to shape the smallest apertures, was investigated for static fields between 0.5 × 0.5−3 × 3 cm2 and for seven VMAT patients with small brain metastases. The dose calculation accuracy has been evaluated by comparing the measured and calculated dose outputs and dose distributions. The dosimetric agreement has been presented by a local gamma evaluation criterion of 2%/2 mm.

Results

Regarding the clinical plans, the mean ± SD of the volumetric gamma evaluation scores considering the dose levels for evaluation of 10%, 50%, 80% and 95% are (96.0 ± 6.9)%, (95.2 ± 6.8)%, (86.7 ± 14.8)% and (56.3 ± 42.3)% respectively. For the smallest field VMAT treatments, discrepancies between calculated and measured doses up to 16% are obtained. The difference between the 1000SRS central chamber measurements compared to the calculated dose outputs for static fields 3 × 3, 2 × 2, 1 × 1 and 0.5 × 0.5 cm2 collimated with MLC whereby jaws are fixed at 3 × 3 cm2 and for static fields shaped with the collimator jaws only (MLC retracted), is on average respectively, 0.2%, 0.8%, 6.8%, 5.7% (6 MV) and 0.1%, 1.3%, 11.7%, 21.6% (10 MV). For the seven brain mets patients was found that the smaller the target volumes, the higher the improvement in agreement between measured and calculated doses after disabling the JTT.

Conclusion

Fixing the jaws at 3 × 3 cm2 and using the MLC with high positional accuracy to shape the smallest apertures in contrast to the JTT is currently found to be the most accurate treatment technique.
Metalloporphyrin MOFs‐Based Nanoagent Enabling Tumor Microenvironment Responsive Sonodynamic Therapy of Intracranial Glioma Signaled by NIR‐IIb Luminescence Imaging
Authors: Jia Tao , Du Jiarui , Yang Jiani , Li Yang , Ohulchanskyy Tymish Y. , Fang Xikui , Chen Guanying
Published: October 2023

Noninvasive sonodynamic therapy (SDT) shows promise for brain glioma treatment due to deep tissue‐penetrating capabilities (>10 cm) of ultrasound and high spatial resolutions. Yet, this technique is hindered by inefficient production of reactive oxygen species (ROS), resulting from the hypoxic tumor microenvironment (TME), high level of ROS scavenger glutathione (GSH), and the inability to visualize glioma in vivo for precise treatment management and monitoring in current sonosentizers. To address these challenges, we fabricated a core‐shell heterostructure sonosensitizer (labeled as DFM), in which meso‐tetra (4‐carboxyphenyl) porphine (TCPP) porphyrin metal‐organic frameworks (MOF, PCN‐224(Fe)) serve as a porous shell to contain approved chemotherapeutics sorafenib (SRF) to effectively inhibit GSH synthesis, while NaErF4:Yb@NaLuF4 nanoparticles as the core provide TME‐responsive NIR IIb (≈1500–1800 nm) luminescence at 1525 for precise optical imaging. Coordination of Fe3+ into the macrocycle of TCPP at the MOFs shell is found to, besides triggering ferroptosis, reduce TCPP phosphorescence (23% decrease) and increase the triplet state (T1) oxygen quenching, substantially promoting the singlet oxygen generation (2.6‐fold increase). Furthermore, GSH in TME facilitates the reduction of Fe3+ to Fe2+, thereby eliminating the luminescence quenching of Fe3+ and augmenting the NIR IIb luminescence of Er3+ (5‐fold increase) for nanoagents accumulation imaging in intracranial glioma, realizing dynamical monitoring of SDT processes. Compared to control groups, in vitro and in vivo experiments confirm the effective ROS generation and results in a 6‐fold volume reduction of brain gliomas, reaching a survival rate of 80% at 30 days posttreatment.
Synthesis of Indole‐Fused 1,4‐Diazepinones via Photoredox‐Catalyzed Cascade Cyclization Reaction
Authors: Brambilla Elisa , Meraviglia Silvia , Moneta Edoardo , Nava Donatella , Rizzato Silvia , Abbiati Giorgio , Pirovano Valentina
Published: October 2023

A photoredox‐promoted approach for the synthesis of [1,4]diazepino[1,7‐a]indol‐6(7H)‐ones starting from N‐indolyl phenylacrylamides and aroyl chlorides as radical source is reported. This method, that involves a cascade radical addition on C−C double bond followed by intramolecular cyclization at indole C2‐position, affords two diastereomeric indole‐fused 1,4‐diazepinones characterized by a N−C(aryl) axial chirality in yields ranging from 51 to 99%.
Accurate Weight Update in an Electrochemical Random‐Access Memory Based Cross‐Point Array Using Channel‐High Half‐Bias Scheme for Deep Learning Accelerator
Authors: Kim Seungkun , Son Jeonghoon , Kwak Hyunjeong , Kim Seyoung
Published: October 2023

Recently cross‐point arrays of synaptic memory devices have been intensively studied to accelerate deep neural network computations. Among various synaptic devices, electrochemical random‐access memory (ECRAM) is emerging as a promising non‐volatile memory candidate owing to its superior synaptic characteristics. However, an optimized update scheme for a three‐terminal ECRAM‐based cross‐point array is yet to be developed. In this study, a metal‐oxide‐based ECRAM (MO‐ECRAM) shows superior synaptic characteristics and the weight update of devices in the MO‐ECRAM cross‐point array is analyzed using the half‐bias (HB) scheme. Additionally, A channel‐high half‐bias (CHB) scheme is proposed to overcome the degraded selectivity of the weight update caused by the three‐terminal configuration of the ECRAM device. In the CHB scheme, the conductance change in the selected device can be increased considerably by applying a calculated additional voltage to the channel. Using the CHB scheme, parallel and selective updates are successfully performed in a 2 × 2 MO‐ECRAM cross‐point array. Finally, an experimental demonstration of the training algorithm shows the impact of selective updates when using the CHB scheme. This new update scheme is expected to improve training accuracy in ECRAM cross‐point array‐based deep learning accelerators.
Refining the phenotypic spectrum of CCDC88A‐related PEHO‐like syndrome
Authors: Issa Mahmoud Y. , Hafez Mona A. , Mounir Samir M. , Abdel Ghafar Sherif F. , Zaki Maha S. , Abdel‐Hamid Mohamed S.
Published: October 2023

Progressive encephalopathy with edema, hypsarrhythmia, and optic atrophy (PEHO) and PEHO‐like syndromes are very rare infantile disorders characterized by profound intellectual disability, hypotonia, convulsions, optic, and progressive brain atrophy. Many causative genes for PEHO and PEHO‐like syndromes have been identified including CCDC88A. So far, only five patients from two unrelated families with biallelic CCDC88A variants have been reported in the literature. Herein, we describe a new family from Egypt with a lethal epileptic encephalopathy. Our patient was the youngest child born to a highly consanguineous couple and had a family history of five deceased sibs with the same condition. She presented with postnatal microcephaly, poor visual responsiveness, and epilepsy. Her brain MRI showed abnormal cortical gyration with failure of opercularization of the insula, hypogenesis of corpus callosum, colpocephaly, reduced white matter, hypoplastic vermis, and brain stem. Whole exome sequencing identified a new homozygous frameshift variant in CCDC88A gene (c.1795_1798delACAA, p.Thr599ValfsTer4). Our study presents the third reported family with this extremely rare disorder. We also reviewed all described cases to better refine the phenotypic spectrum associated with biallelic loss of function variants in the CCDC88A gene.
Organocatalyst Mediated Pot‐Economical Total Synthesis of (−)‐Quinine and its Derivatives
Authors: Terunuma Takahiro , Kawauchi Genki , Hayashi Yujiro
Published: October 2023

(−)‐Quinine was synthesized in high enantio‐ and diastereoselectivity using an organocatalytic reaction as a key step. The piperidine skeleton was constructed using a diphenylprolinol silyl ether‐mediated Michael reaction, aza‐Henry reaction, and hemiacetalization in one‐pot. A reduction furnished the tri‐substituted piperidine with the correct stereochemistry in excellent diastereoselectivity. Introduction of a quinoline moiety and several transformations afforded (−)‐quinine. Using a stop‐and‐go method, (−)‐quinine was synthesized in 13 % yield with 12 pots. We further optimized the reactions for pot economy and achieved a synthesis of (−)‐quinine in 14 % yield using only five reaction vessels. Using 2,4‐dibromo‐6‐methoxyquinoline as a starting material enabled the preparation of C2′‐(−)‐quinine derivatives.
Brain Health Registry Study Partner Portal: Novel infrastructure for digital, dyadic data collection
Authors: Aaronson Anna , Ashford Miriam T. , Jin Chengshi , Bride Jessica , Decker Josephine , DeNicola Aaron , Turner Robert W. , Conti Catherine , Tank Rachana , Truran Diana , Camacho Monica R. , Fockler Juliet , Flenniken Derek , Ulbricht Aaron , Grill Joshua D. , Rabinovici Gil , Carrillo Maria C. , Mackin R. Scott , Weiner Michael W. , Nosheny Rachel L.
Published: October 2023

BACKGROUND

In Alzheimer's disease (AD) research, subjective reports of cognitive and functional decline from participant–study partner dyads is an efficient method of assessing cognitive impairment and clinical progression.

METHODS

Demographics and subjective cognitive/functional decline (Everyday Cognition Scale [ECog]) scores from dyads enrolled in the Brain Health Registry (BHR) Study Partner Portal were analyzed. Associations between dyad characteristics and both ECog scores and study engagement were investigated.

RESULTS

A total of 10,494 BHR participants (mean age = 66.9 ± 12.16 standard deviations, 67.4% female) have enrolled study partners (mean age = 64.3 ± 14.3 standard deviations, 49.3% female), including 8987 dyads with a participant 55 years of age or older. Older and more educated study partners were more likely to complete tasks and return for follow‐up. Twenty‐five percent to 27% of older adult participants had self and study partner‐report ECog scores indicating a possible cognitive impairment.

DISCUSSION

The BHR Study Partner Portal is a unique digital tool for capturing dyadic data, with high impact applications in the clinical neuroscience and AD fields.

Highlights

The Brain Health Registry (BHR) Study Partner Portal is a novel, digital platform of >10,000 dyads.

Collection of dyadic online subjective cognitive and functional data is feasible.

The portal has good usability as evidenced by positive study partner feedback.

The portal is a potential scalable strategy for cognitive impairment screening in older adults.
Green synthesis of reduced graphene oxide anchored Fe3O4‐Pd hetero‐nanostructure: An efficient, magnetically separable and reusable catalyst for Beckmann rearrangement of aldoximes to amides
Authors: Hazarika Shikharani , Borah Geetika
Published: October 2023

The multifaceted Fe3O4‐Pd@rGO nanocomposite (NC) has been synthesized successfully by a biogenic method using Ocimum tenuiflorum leaf extract. The preparation of graphene oxide (GO) was done by the well‐known modified Hummer method. The as‐synthesized Fe3O4‐Pd@rGO NC was extensively characterized by various analytical techniques, namely, Fourier transform infrared (FTIR), X‐ray diffraction (XRD), field emission scanning electron microscopy‐energy‐dispersive X‐ray spectroscopy (FESEM‐EDX), high‐resolution transmission electron microscopy (HRTEM), inductively coupled plasma‐atomic emission spectrometry (ICP‐AES), X‐ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), vibrating sample magnetometry (VSM) and Brunauer–Emmett–Teller (BET) surface area analysis. The absence of peak corresponding to υ(CO) at 1732 cm−1 in the FTIR spectrum of Fe3O4‐Pd@rGO enumerates the reduction of GO to reduced graphene oxide (rGO) during Fe3O4‐Pd nanoparticle (NP) synthesis with O. tenuiflorum leaf extract. The XRD pattern reveals the existence of rGO, cubic‐phased spinel‐structured Fe3O4 along with the formation of metallic Pd NP without any impurities. The FESEM image designates the spherical and flake‐like morphology of the NC. The crystallite size of the NC was calculated employing the Debye–Scherrer equation and was found to be 3.45 nm corresponding to the (220) plane. The average particle size of Fe3O4‐Pd NPs as estimated from the particle size distribution curve was ascertained as 3.03 nm. The utmost saturation magnetization value of the NC as evaluated by VSM study has appeared at 0.6219 emu g−1 having coercivity value of 335.1 Oe and remanent magnetization value of 0.0767 emu g−1, suggesting the existence of a ferromagnetic material in the synthesized NC. It was a stable and highly efficient catalyst for Beckmann rearrangement of aldoximes using in an environment‐friendly medium. It afforded up to 99% isolated yield of the preferred products under acid‐free condition, avoiding the use of any harsh chemicals that will be beneficial for future industrial applications. Finally, the magnetic component of the NC allowed for easy recovery of the catalyst, thereby eliminating the chance of leaching of metal atoms, and was reusable till six successive cycles without apparent loss of its catalytic performance.
Biodegradable dissolved organic carbon profiling reveals capacity of carbon‐based potable reuse treatment over a range of operating conditions
Authors: Blair Matthew F. , Vaidya Ramola , Salazar‐Benites Germano , Schimmoller Larry , Nading Tyler , Wilson Christopher , Pruden Amy , Bott Charles
Published: October 2023

Biological treatment is gaining ground as a means to enhance removal of total organic carbon (TOC) as part of a multi‐barrier treatment train for water reuse. Here we applied biodegradable dissolved organic carbon (BDOC) analysis to evaluate the extent of removal of various TOC fractions through a pilot‐scale water reuse train employing flocculation/sedimentation, ozone, biologically active carbon (BAC), and granular activated carbon (GAC). BDOC analysis highlighted GAC and ozone treatments as critical to non‐biodegradable dissolved organic carbon removal and the need to optimize BAC performance to maximize GAC adsorption capacity. BDOC analysis was further applied to benchmark process performance to operational conditions, such as empty bed contact time (EBCT), occurrence of nitrification, and operational upsets. The lower EBCT proved to be less resilient to nonideal conditions. Overall, BDOC analysis proved an asset for understanding and improving operation of ozone/BAC/GAC treatments for water reuse.
Caresses, whispers and affective faces: A theoretical framework for a multimodal interoceptive mechanism underlying ASMR and affective touch
Authors: Villena‐Gonzalez Mario
Published: October 2023

Autonomous sensory meridian response (ASMR) and affective touch (AT) are two phenomena that have been independently investigated from separate lines of research. In this article, I provide a unified theoretical framework for understanding and studying them as complementary processes. I highlight their shared biological basis and positive effects on emotional and psychophysiological regulation. Drawing from evolutionary and developmental theories, I propose that ASMR results from the development of biological mechanisms associated with early affiliative behaviour and self‐regulation, similar to AT. I also propose a multimodal interoceptive mechanism underlying both phenomena, suggesting that different sensory systems could specifically respond to affective stimulation (caresses, whispers and affective faces), where the integration of those inputs occurs in the brain's interoceptive hubs, allowing physiological regulation. The implications of this proposal are discussed with a view to future research that jointly examines ASMR and AT, and their potential impact on improving emotional well‐being and mental health.
Mitochondrial ascorbic acid prevents mitochondrial O2.− formation, an event critical for U937 cell apoptosis induced by arsenite through both autophagic‐dependent and independent mechanisms
Authors: Guidarelli Andrea , Carloni Silvia , Balduini Walter , Fiorani Mara , Cantoni Orazio
Published: October 2023

A 16 h exposure of U937 cells to 2.5 µM arsenite promotes superoxide (
) formation and inhibition of the activity of aconitase, a
sensitive enzyme. Both responses were abolished by the complex I inhibitor rotenone, or by the respiration‐deficient phenotype. Interestingly, a similar suppressive effect was mediated by a short term pre‐exposure to a low concentration of l‐ascorbic acid (AA), previously shown to be actively taken up by the cells and by their mitochondria. The mitochondrial origin of
was confirmed by fluorescence microscopy studies, whereas different approaches failed to detect a contribution of NADPH oxidase. Under similar conditions, arsenite induced autophagy as well as a decline in mitochondrial membrane potential resulting in delayed (48 h) apoptosis. Importantly, all these events turned out to be sensitive to treatments associated with prevention of
formation, including AA, and were only partially blunted by inhibitors of autophagy. As a final note, the toxic effects mediated by
were entirely dependent on its conversion to H2O2. AA‐sensitive mitochondrial
formation is therefore involved in autophagy and apoptosis induced by arsenite in U937 cells, although part of the lethal response appears mediated by an autophagy‐independent mechanism. © 2016 BioFactors, 42(2):190–200, 2016
Preparation, Characterization and Photocatalytic Activities of TiO2‐coated Activated Carbon Catalysts for Rhodamine B Photodegradation
Authors: Asiltürk Meltem , Şener Şadiye , Şener Engin
Published: October 2023

TiO2
‐coated activated carbon (TiO2
/AC) catalysts with high activity and easy separation were prepared by the coating method and their photocatalytic performances were studied for degradation of rhodamine B (RhB) dye. For this purpose, first, anatase TiO2
nanocrystal was prepared via sol–gel process of titanium(IV) isopropoxide (TTIP), followed by reflux treatment at a relatively low temperature (130 °C) without further treatments. Second, four different amounts of AC were separately coated with TiO2
by dipping in TiO2
sol (10%, w/w) at room temperature. The catalysts were characterized by Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), X‐ray diffraction (XRD), Brunauer–Emmett–Teller (BET) surface area, and UV–vis diffuse reflectance spectroscopy (DRS). Coating AC with TiO2
produced catalysts with higher BET surface areas and greater crystallite sizes as compared to bare TiO2
. RhB (50 mg/L) was almost completely discolored in 50 min, and the mineralization efficiency was 100% in 60 min for the catalysts containing 10 and 15% AC. Furthermore, all catalysts showed much higher photocatalytic activities than the commercial Degussa P‐25.
Bonding at Fe(001)/TiC(001) Interface
Authors: Kang Dae‐Bok
Published: October 2023

The bonding of the interface between bcc Fe(001) and TiC(001) is investigated by means of the extended Hückel tight‐binding band structure calculations. Two different interactions, FeC and FeTi, are found to be the determinant factors for the adhesion strength at the interface. Higher adhesion properties can be attained when the surface Fe atoms are positioned directly over the surface C atoms of the carbide. This article presents a systematic perspective of the bonding nature at the Fe/TiC interface from a viewpoint of both the FeC and FeTi interactions.
First Synthesis and Anti‐Inflammatory Effects of Puerariafuran and its Derivatives
Authors: Yoon Hyun‐Ho , Kim Jin‐Kyung , Jun Jong‐Gab
Published: October 2023

The total synthesis of puerariafuran and its derivatives was achieved for the first time by the direct reaction between substituted α‐bromoacetophenones and resorcinol. The reaction was mediated by neutral alumina and was fully regio‐controlled. Subsequently, the Sonogashira coupling method was applied for puerariafuran preparation. Finally, the anti‐inflammatory effects of these prepared compounds were evaluated in lipopolysaccharide (LPS) stimulated RAW 264.7 macrophages. The results revealed that puerariafuran and its derivatives show weak inhibition activity on the production of inflammatory‐mediated nitric oxide.
Simple Morphological Control of ZnPc Thin Films Grown on SubPc Underlayer#
Authors: Park Dasom , Yim Sanggyu
Published: October 2023

Morphological templating in molecular double‐layer thin films, i.e., the phenomenon where the surface morphology of the top layer is strongly influenced by that of the underlying layer, was investigated to control the surface nanomorphology of zinc phthalocyanine (ZnPc) thin films. Three types of molecular thin films, ZnPc single‐layer, chloro[subphthalocyaninato]boron(III) (SubPc) single‐layer, and ZnPc on SubPc (SubPc/ZnPc) double‐layer thin films were grown on glass substrates and post‐annealed at 250 °C. While the changes in surface roughness and morphology of the ZnPc single layer were negligible during post‐annealing, the roughness of the SubPc/ZnPc double layer significantly increased, similar to that of the SubPc single‐layer film. However, the lateral size of the surface crystallites of the SubPc/ZnPc film did not change apparently. Consequently, the fabricated regular, nanopillar‐like surface morphology obtained by this simple treatment is expected to provide desirable interdigitated donor–acceptor interface with large contact area for small‐molecule organic photovoltaic device applications. In addition, the ZnPc and SubPc single‐layer thin films showed absorption maxima in different spectral regions; hence, the double‐layer film absorbed the incident light effectively in a broader spectral range.
Zn(II) Production via a Pulsed Laser Ablation in Water: A Formation Mechanism of Zn and ZnO Nanoparticles#
Authors: Lee Seulki , Ahn Ahreum , Choi Myong Yong
Published: October 2023

Zn and ZnO nanoparticles were produced by a pulsed Nd:YAG laser ablation method in the absence of any surfactants and/or catalysts in deionized (DI) water via pulsed laser ablation in liquid (PLAL). In this paper, we present direct evidence for the production of Zn(II) ions induced from the plasma plume during the process of PLAL for the first time. Investigation of the absorption and emission spectra of zinc tetra(p‐sulfonatophenyl)porphyrin (ZnTSPP) formed via the laser ablation on a Zn metal plate in TSPP solution showed a significant fluorescence quenching of ZnTSPP. This fluorescence quenching of ZnTSPP was further investigated with an aid of theoretical calculations. Based on these experimental and theoretical results, a plausible mechanism for the production of Zn and ZnO nanoparticles is proposed.
Surface‐enhanced Raman Scattering of 4‐Aminobenzenethiol Sandwiched between Silver Nanoparticles and Gold Micro‐Powders#
Authors: Choi Jeong‐Yong , Lee Hyang Bong , Kim Kwan , Shin Kuan Soo
Published: October 2023

The surface‐enhanced Raman scattering (SERS) activity of micrometer‐sized gold (μAu) powders is far weaker than that of micrometer‐sized silver (μAg) powders. The Raman peaks of organics assembled on μAu powders can, however, be enhanced dramatically by depositing Ag nanoparticles thereon to form the so‐called sandwich structures. This is demonstrated in this work by using 4‐aminobenzenthiol (4‐ABT) as the prototype organic. Besides, the b2‐type bands of 4‐ABT are found to be enhanced more than the a1‐type band, and this is presumed to be a result of the favorable Ag‐to‐Au charge transfer configuration of the sandwich structure (Ag/4‐ABT/μAu), associated with the chemical enhancement mechanism in SERS.
IR Correlation Spectroscopy using Microgratings to be Compared with Dispersive IR Spectroscopy#
Authors: Jo Choong‐Man , Choi Eunwoo , Kim Seong Kyu , Kim In Cheol , Park Do‐Hyun , Kang Young Il
Published: October 2023

Microgratings that were designed and fabricated to generate IR absorption spectra of SF6
and NH3 on diffraction into a specific detection angle were tested by correlation spectroscopy. The micrograting diffraction provides a reference spectrum for a target molecule, and its cross‐correlation with the transmission spectrum of a gas cell is obtained by varying the diffraction angle. As our optical setup can measure the dispersive transmission spectrum and the correlation spectrum under the same conditions, the two kinds of spectra were compared directly in terms of signal‐to‐noise ratio (SNR). The SNR’s of the correlation spectra were a few times lower than those of the dispersed spectra; therefore, the correlation spectroscopy can hardly be placed above the dispersive spectroscopy with respect to the SNR. The merit of the correlation spectroscopy is that a rather small range of modulation wavelength is needed to identify the target. Therefore, the correlation spectroscopy would be more useful for such target molecules whose spectra consist of broad peaks spread throughout a wide wavelength range.
Lattice Boltzmann Study of the Water Droplet on a Surface Corrugated with Nanopillars#
Authors: Jang Jihye , Park Sung Woo , Kim Hyojeong , Matin Mohammad A. , Zhang Zhengqing , Jang Joonkyung
Published: October 2023

Using the lattice Boltzmann method, we simulated a water droplet on a surface covered with rectangular or parabolic pillars. With increasing spacing between the pillars, the transition from the Cassie to Wenzel states of the droplet was observed. The critical spacing at which the transition occurs and the contact angle of droplet were compared with those obtained from the macroscopic theories of Cassie and Wenzel. The present simulation revealed intermediate states where the droplet was partially impaled by the pillars. Even in the Cassie state, the droplet significantly penetrated down in the gap between the parabolic pillars.
Implicit vs. Explicit Solvent Models for Calculating X‐ray Solution Scattering Curves#
Authors: Ganesan Prabhakar , Kim Jong Goo , Lee Jae Hyuk , Kim Jeongho , Ihee Hyotcherl
Published: October 2023

Theoretical calculation of X‐ray solution scattering curves of proteins in the solution phase is strongly influenced by solvent contributions in the form of solvent‐excluded volume and hydration layer that are generally represented either implicitly or explicitly. To investigate the effect of the implicit and explicit solvent models on the calculated scattering curves, we developed a new program, X‐ray Solution Scattering (XSoS) based on implicit (XSoS‐implicit) and explicit (XSoS‐explicit) solvent models. Both XSoS‐implicit and XSoS‐explicit can calculate X‐ray solution scattering curves with high accuracy. Overall, the implicit solvent model has practical advantages over the explicit solvent model for the analysis of experimental X‐ray solution scattering data.
Some Features of CdS/CdSe Quantum Dot‐sensitized Solar Cell Incorporating Carbon Nanotubes#
Authors: Lee Junyoung , Park Taehee , Lee Jongtaek , Yang Jonghee , Yi Whikun
Published: October 2023

Quantum dot‐sensitized solar cells (QDSSCs) were synthesized using CdS and CdSe quantum dots (QDs) incorporated onto one‐dimensional ZnO nanorods by successive ionic layer adsorption. In order to get the highest performance of the synthesized cell, the concentration of precursor QD solution and the number of deposition cycles in the QD solution were varied together. The photovoltaic performance of each cell was compared with the ultraviolet/visible absorption spectra and incident photon to current efficiency graphs. QDSSCs incorporating single‐walled carbon nanotubes (SWNTs), sprayed onto the substrate before deposition of the next layer, exhibited enhanced or decreased photocell efficiency compared to that of the pristine cell. In particular, a maximum rate increase of 17% was obtained with the solar cell containing SWNTs in CdSe QDs.
Kinetic Study on Alkaline Hydrolysis of Y‐substituted Phenyl Picolinates: Effects of Modification of Nonleaving Group from Benzoyl to Picolinyl on Reactivity and Reaction Mechanism
Authors: Kim Myung‐Joo , Kim Min‐Young , Um Ik‐Hwan
Published: October 2023

Second‐order rate constants (k
OH–) for alkaline hydrolysis of Y‐substituted phenyl picolinates (6a–6i) have been measured spectrophotometrically. A linear Brønsted‐type plot is obtained with βlg = −0.34, which is typical for reactions reported previously to proceed through a stepwise mechanism with formation of an addition intermediate being the rate‐determining step (RDS). However, constants result in a much poorer Hammett correlation than constants. Furthermore, the Yukawa‐Tsuno plot exhibits an excellent linear correlation with ρ
Y
 = 0.82 and r = 0.72, indicating that a negative charge develops partially on the O atom of the leaving group in the RDS. Thus, the reactions have been concluded to proceed through a forced concerted mechanism with a highly unstable intermediate 7. Comparison of the current kinetic data with those reported previously for the corresponding reactions of Y‐substituted phenyl benzoates has revealed that modification of the nonleaving group from benzoyl to picolinyl causes not only an increase in reactivity but also a change in the reaction mechanism (i.e., from a stepwise mechanism to a forced concerted pathway).
Sensitive Liquid Crystal‐based Sensor for Monitoring the Enzymatic Activities of Trypsin
Authors: Lim Eun‐Ji , Zhang Minmin , Rim Jinseob , Kim Hyeong Jin , Jang Chang‐Hyun
Published: October 2023

In this study, a highly sensitive and label‐free method was developed to monitor the enzymatic activities of trypsin via orientational transition of liquid crystals (LCs) coupled to the interactions between the polyelectrolyte and phospholipid monolayer. Generally, the positively charged polyelectrolyte interacted with the negatively charged phospholipid monolayer by electrostatic interaction, which caused reorganization of the phospholipid membrane and induced a homeotropic to planar orientational transition of LCs. Enzymatic cleavage of the polyelectrolyte, which was caused by trypsin, eliminated the electrostatic interaction that occurred at the aqueous/LC interface and restored the LC alignment. The optical response of the LC changed in a way that corresponded with the LC molecular arrangement, which enables naked‐eye detection under polarized optical microscopy. A rather low detection limit, down to 10 ng/mL, was achieved for trypsin activity detection by applying the proposed method.
Collaboration in the Spotlight: The Open Symphony Case
Authors: Hayes Kate
Published: October 2023

EDITOR'S SUMMARY

The voice of the performing arts is an important – though seldom heard – disciplinary component of information science research. The Open Symphony, a collaboration between a performing musician and computer science students, allowed for creative audience interaction with live music performances. But such interdisciplinary collaboration is difficult and needs to be put within the larger context of questions surrounding value, individual contribution in artistic expression and ownership in the performing arts. Indeed, tensions around the economics of art and commercial versus academic value may hinder collaborations between artists and academia, but with the right framework and definitions of value these efforts could lead to additional forms of cross‐disciplinary exploration.
2016 ASIS&T Annual Meeting: Diversity and Inclusion Luncheon: Report and Recommendations
Authors: Sonnenwald Diane H. , Harrison Lauren , Bar‐Ilan Judit , Bruce Harry , Carbo Toni , Connaway Lynn Silipigni , Faniel Ixchel , Hirsh Sandra , Ibekwe‐SanJuan Fidelia , Worrall Adam
Published: October 2023

EDITOR'S SUMMARY

ASIS&T has continuously worked to enhance diversity and inclusion over its long history, including the formation of the Special Interest Group/International Information Issues and the name change from the American Society for Information Science and Technology to the Association for Information Science and Technology. During the 2016 ASIS&T Annual Meeting (AM), a Diversity and Inclusion Luncheon was held to promote discussion and ideas of new ways for ASIS&T to promote diversity. Attendees of the luncheon were asked to share positive personal experiences with diversity, as well as share ideas for how to bolster diversity and inclusion in future AMs and for ASIS&T as an organization. Suggestions include the meeting being held outside of North America more frequently, inclusion of mentor programs for papers and new attendees of AMs, removing North American‐centric language from communications and more ASIS&T board members from other continents. The suggestions were recommended to the ASIS&T Board for further discussion.
Surgery for ulnar nerve decompression and drainage of a caseous granuloma in a neural form of leprosy in children
Authors: Henrique Morais de Souza Fernando , Euripedes Almondes Santana Lemos Luiz , Rafael Sousa Rosado Bruno , Rafaela Borges De Oliveira Raiza , Gomes Ferreira de Araújo Mayle , Silva Rhuann Pontes dos Santos , Sena Almeida Nivaldo , Rocha Cirne Azevedo‐Filho Hildo
Published: October 2023

Key Clinical Message

The findings in the literature, as well as those described in this study, emphasize the need for systematic and longitudinal care for patients with neglected diseases during and after treatment, mainly in low‐middle income countries.

Leprosy is a chronic, granulomatous, mycobacterial infection caused by mycobacterium leprae, affecting the skin and peripheral nervous system. We present a case of a 13‐year‐old child with leprosy for more than a year, indicating decompression of the ulnar nerve. During surgery, an intraneural large caseous granule was evidenced.
An Indacenopicene‐based Buckybowl Catcher for Recognition of Fullerenes
Authors: Scholz Barbara , Oshchepkov Alexander S. , Papaianina Olena , Ruppenstein Cordula , Akhmetov Vladimir A. , Sharapa Dmitry I. , Amsharov Konstantin Y. , Pérez‐Ojeda M. Eugenia
Published: October 2023

A novel buckybowl catcher with an extended π‐surface has been synthesized via cross‐coupling of two bowl shaped bromoindacenopicene moieties with a tolyl linker. The obtained catcher has been unambiguously characterized by 2D‐NMR and mass spectrometry. DFT calculations indicate that the curved shape of the receptor moieties is favourable for binding fullerenes. Effective binding was confirmed for interactions with C60 and C70 utilizing NMR spectroscopy and isothermal titration calorimetry (ITC). The resulting binding values show a higher affinity of the catcher towards C70 over C60. The designed catcher demonstrated the fundamental possibility of creating sensors for spherical aromaticity.
A current overview of the pharmacological composition of “La Chimique” consumed in Mayotte: Preliminary results of the CHASSE‐MAREE protocol
Authors: Richeval Camille , Gish Alexandr , Cottereau Victoire , Peyre Alexandre , Pleignet Eric , Cherki Sabrina , Allorge Delphine , Gaulier Jean‐Michel , Devault Damien A.
Published: October 2023

Mayotte Island, a French department located in the Mozambique Channel, has for several years been faced with the consumption of “La Chimique” (LC), reputed (but extremely poorly documented) to be a mixture of tobacco and synthetic cannabinoid receptor agonists (SCRAs). One of the objectives of the CHASSE‐MAREE protocol is to assess the composition and heterogeneity of LC products through successive LC sample collection campaigns among users. Currently underway, we present here the first analytical results (samples collected in 2022). Between September and December 2022, 80 samples were collected throughout the island over three periods: 70 in the usual form of LC (small folded papers containing a plant‐like sample, mostly tobacco), 6 powders, and 4 cigarettes. Analysis was performed using liquid chromatography with high‐resolution mass spectrometry. The detected substances (number of detections) included SCRAs (MDMB‐4en‐PINACA [35], ADB‐FUBIATA [25], MDMB‐INACA [16], ADB‐BUTINACA [15], AFUBIATA [11], 4F‐MDMD‐BICA [7], CH‐PIATA [14], 5C‐APINACA [3], BZO‐HEXOXIZID [2], and 4F‐ABINACA [1]), nicotine (68), tetrahydrocannabinol (THC), cannabinol (CBN), and cannabidiol (CBD) (2), medications (amantadine [11], cyamemazine [6], and acetaminophen [3]), and a designer benzodiazepine (bromazolam [4]). The SCRAs currently in use are varied, and the market for “cooks” (those who prepare LC) is dispersed according to where and when samples are collected. These preliminary results will be supplemented by analysis of samples collected in the first half of 2023 and by an improved description of the current panorama of consumption of LC in Mayotte (mapping, effects felt and dependence, etc.).
A Control System Based on an Improved Model Auto‐Fusion Cerebellar Perceptron and Its Application to the Consensus Problem
Authors: UCHIYAMA SHOGO , OBAYASHI MASANAO , KUREMOTO TAKASHI , KOBAYASHI KUNIKAZU , MABU SHINGO
Published: October 2023

In this paper, we propose a control system based on an improved model auto‐fusion cerebellar perceptron using feedback error learning (FEL) which imitates the human cerebellum, and apply it to the consensus problem of a multiagent system (MAS). It is important to control multiple agents because each of them has its own scale and complexity. Therefore, coordinative control of the MAS for each autonomous decision‐making instance has been taken as the focus. To control MAS, we consider use of FEL related to biological movement control. We also propose an auto‐fusion mechanism for mitigation of neuronal fluctuation. We call the proposed system the “Auto‐Fusion Cerebellar Perceptron Improved Model‐Based Control System (AFCPCS)” here. Through a computer simulation of the MAS consensus problem, we demonstrate the effectiveness of the proposed method.
The Mechanism of Lithium Zincate‐Mediated I/Zn Exchange Revisited: A Computational Microsolvation Approach in THF**
Authors: Pierret Alexandre , Lefebvre Corentin , Gros Philippe C. , Denhez Clément , Vasseur Alexandre
Published: October 2023

Lithium trialkylzincate‐mediated I/Zn exchange reaction has been revisited computationally through a microsolvation approach. A never yet investigated iodoaryl derivative bearing a potential bulky para‐directing group, namely 4‐iodobenzyl mesylate, was considered as a substrate. THF as typical solvent and Et3ZnLi have also been considered for the first time in such a reaction. Three mechanistic pathways have been calculated, including (1) a literature‐inspired pathway with full preservation of the synergic character of the reagent as well as a complementary mesylate group‐directed pathway, (2) a THF‐solvated open complex‐promoted pathway and (3) an anionic pathway. While the anionic pathway appeared to be unlikely, pathway involving a THF‐solvated open zincate complex turned out to be the most energetically favored. Equivalent thermodynamic profiles were found for both complementary pathways with preservation of the synergic character of the reagent, albeit a slight preference could be attributed to that occurring with initial chelation of Li to the mesylate group (OMs) through microsolvation approach. The I/Zn exchange was shown to proceed through a lithium‐assisted aryl shuttle‐like process. The iodoaryl substrate is first converted into ArLi intermediate which in turns reacts with the remaining diorganozinc reagent.
In situ green synthesis of hybrid lead nanoparticles encased in phytochemicals for antimicrobial applications
Authors: Moustafa N. E.
Published: October 2023

Previously, organic immobilization matrices were used, but this study demonstrates a novel approach by utilizing in situ‐produced phytochemicals to encase the lead nanoparticles. The process involves reducing lead acetate with ingredients from Peganum harmala leaves to create a hydride‐lead nanoparticle‐phytochemical grid. To investigate the morphology and synthesis of the lead nanoparticles, a variety of spectroscopic and microscopic methods were employed. The available information indicates that the hybrid PbNPS exhibits an average nucleation site size of 14.60, indicating the presence of nanoparticles with relatively uniform sizes ranging from 12 to 19. Furthermore, the hybrid PbNPS displayed remarkable antibacterial efficacy against Staphylococcus aureus and Escherichia coli, with inhibition zones measuring 28 and 30.0 mm, respectively, when tested at a concentration of 200 μg/mL. This finding highlights two significant aspects of this research. First, the utilization of phytochemicals as a collector for the straightforward extraction of toxic lead from an aqueous medium represents a novel and innovative approach. Second, the extracted material exhibits promising antibacterial activity, presenting potential applications in the fight against bacterial infections.