bluuebunny/crossref_metadata_2025 huggingface dataset:
Anisotropic Tunability of Vibrational Modes in Black Phosphorus Under Uniaxial Compressive/Tensile Strain
Authors: Li Hao , Kutlu Tayfun , Carrascoso Félix , Sahin Hasan , Munuera Carmen , Castellanos Gómez Andrés
Published: September 2023

Strain engineering is a powerful strategy for tuning the optical, electrical, vibrational properties of 2D nanomaterials. In this work, a four‐point bending apparatus is constructed to apply both compressive and tensile strain on 2D anisotropic black phosphorus flake. Further polarized Raman spectroscopy is used to study the vibrational modes of black phosphorus flakes under uniaxial strain applied along various crystalline orientations. Here, a strong anisotropic blue/redshift of A1g, B2g, and A2g modes is found under compressive/tensile strain, respectively. Interestingly, mode A1g exhibits the maximum/minimum shift while mode B2g and mode A2g present the minimum/maximum shift when the strain is applied along armchair/zigzag direction. Density functional theory calculations are carried out to investigate the anisotropic strain response mechanism, finding that the strain‐induced regulation of the P─P bond angle, bond length, and especially interlayer interaction has a giant influence on the Raman shift.
The Broadband Optical Absorption Performance of Rod‐Based Hyperbolic Metamaterials in Cuboidal Patterns
Authors: Liu Xiaoyu , Fu Ming , Jiang Jingwen , Li Jiefeng , Yang Rui , Wu Zheli , He Dawei , Wang Yongsheng
Published: September 2023

The development of metamaterials for advanced optical functions, especially optical metamaterials that can be synthesized through a colloidal assembly route, holds significance in nanophotonic research. A broadband absorber based on hyperbolic metamaterials (HMMs) with cuboidal patterns, constructed using 3D assembled nanorod arrays, is fabricated with the assistance of SU‐8 photoresist filling, photolithography, and atomic layer deposition (ALD) of Pt. The formation of cuboidal patterns creates a rod‐based metamaterial waveguide, enabling slow‐light dispersion in the visible frequency range. Slow light frequencies can be adjusted by varying the metal thickness and metal type, while they are minimally influenced by the width of each cuboidal framework. In addition to the absorption attributed to the rod metamaterial waveguides, the gap between the neighboring cuboidal frameworks induces a coupling effect that enhances light capture. The presence of curving morphologies on the side of each cuboidal framework further enhances optical absorption. The optimized broadband rod metamaterial absorber in cuboidal patterns can achieve an average absorptivity of 96.9% in the 400–1100 nm wavelength range.
Nonlinear Optical Mechanism of β‐BaB2O4 Revealed by Experimental Electron Density
Authors: Yang Long‐Qi , Jiang Xiao‐Ming , Chen Yu , Liu Bin‐Wen , Guo Guo‐Cong
Published: September 2023

Nonlinear optical (NLO) materials are of immense scientific and technological importance. However, debate has long prevailed theoretically regarding the structural origin of the second harmonic generation (SHG) effect. In this work, the experimental electron density (ED) of controversial β‐BaB2O4 (BBO) is studied by high‐resolution X‐ray diffraction, indicating that the [B3O6]3− motif dominates two large non‐zero SHG tensors (d222 and d311) while Ba atoms contribute mostly to the smallest one (d333), and the atomic SHG contributions of terminal O atoms in [B3O6]3− motifs are much larger than those of B and bridged O atoms, clarifying the disputes on its NLO response mechanism. Besides, the contraction of inner electron shells (5s25p6) of the Ba atom and partial covalent behavior of the Ba─O interaction are first observed experimentally. Furthermore, the SHG coefficients of BBO derived from experimental ED are in excellent agreement with those from bulk crystals, providing a high‐efficient and low‐cost method of screening high‐performance NLO materials with just an easy‐to‐obtain tiny crystal.
18F‐Fluorination of 2‐Methyl‐6‐nitrobenzenesulfonate Ester and its Application for the Synthesis of an 18F‐Labeled Amino Acid**
Authors: Iida Shogo , Tago Tetsuro , Tada Masatoshi , Toyohara Jun , Tanaka Hiroshi
Published: September 2023

In the development of an efficient 18F‐labeling method for the synthesis of PET tracers, it is essential not only to improve the efficiency of [18F]fluorine incorporation into a carrier but also to minimize non‐radioactive side products from the precursor. Highly reactive sulfonate esters are promising precursors for 18F‐nucleophilic fluorination under mild conditions. However, the expected labeling efficiency from the precursor is often hampered by its competitive degradation due to coexisting bases during 18F‐fluorination. In this report, we designed a 2‐methyl‐6‐nitrobenzenesulfonate (2‐MeNs) ester as a precursor for 18F‐fluorination, in which the methyl group suppresses hydrolysis of the sulfonate ester via steric hindrance. An increase in labeling efficiency in the 18F‐labeling of a neopentyl labeling group was observed for the neopentyl 2‐MeNs ester compared with that of the 2‐nitrobenzenesulfonate ester. Ultimately, we achieved the automated synthesis of an 18F‐labeled amino acid using a neopentyl labeling group by using a 2‐MeNs ester as a precursor.
Sleep duration and brain MRI measures: Results from the SOL‐INCA MRI study
Authors: González Kevin A. , Tarraf Wassim , Stickel Ariana M. , Kaur Sonya , Agudelo Christian , Redline Susan , Gallo Linda C. , Isasi Carmen R. , Cai Jianwen , Daviglus Martha L. , Testai Fernando D. , DeCarli Charles , González Hector M. , Ramos Alberto R.
Published: September 2023

INTRODUCTION

Sleep duration has been associated with dementia and stroke. Few studies have evaluated sleep pattern–related outcomes of brain disease in diverse Hispanics/Latinos.

METHODS

The SOL‐INCA (Study of Latinos‐Investigation of Neurocognitive Aging) magnetic resonance imaging (MRI) study recruited diverse Hispanics/Latinos (35–85 years) who underwent neuroimaging. The main exposure was self‐reported sleep duration. Our main outcomes were total and regional brain volumes.

RESULTS

The final analytic sample included n = 2334 participants. Increased sleep was associated with smaller brain volume (βtotal_brain = −0.05, p < 0.01) and consistently so in the 50+ subpopulation even after adjusting for mild cognitive impairment status. Sleeping >9 hours was associated with smaller gray (βcombined_gray = −0.17, p < 0.05) and occipital matter volumes (βoccipital_gray = −0.18, p < 0.05).

DISCUSSION

We found that longer sleep duration was associated with lower total brain and gray matter volume among diverse Hispanics/Latinos across sex and background. These results reinforce the importance of sleep on brain aging in this understudied population.

Highlights

Longer sleep was linked to smaller total brain and gray matter volumes.

Longer sleep duration was linked to larger white matter hyperintensities (WMHs) and smaller hippocampal volume in an obstructive sleep apnea (OSA) risk group.

These associations were consistent across sex and Hispanic/Latino heritage groups.
Organometallic N‐acylhydrazones of 5‐nitrofuran and 5‐nitrothiophene based: Synthesis, electrochemical, antiparasitic evaluation, and computational study
Authors: Saldías Marianela , Acuña Alejandra , Mellado Marco , Wilkinson Shane R. , Moncada‐Basualto Mauricio , Artigas Vania , Fuentealba Mauricio , Lucero Andrea , Oyarzo Juan , Toro Patricia M.
Published: September 2023

In searching for new therapeutic agents for treating American trypanosomiasis and Human African trypanosomiasis, four nitroheterocyclic acylhydrazones of general formulae [R1‐CH=N‐NH‐C(O)‐(5‐C4H2X)] (where R1 = ferrocenyl or cyrhetrenyl, and X = O or S) have been synthesized and characterized by spectroscopic techniques. Comparative studies of their stability by 1H‐NMR and UV–Vis experiments were reported. Single‐crystal X‐ray diffraction confirmed the molecular structures of NF‐1 and NT‐2. Their X‐ray crystal structures reveal that both adopt an E‐configuration on the C=N moiety. Regarding the ‐NH‐C(O)‐ bond, the structure of NF‐1 confirmed a trans conformation, while NT‐2 exhibited a cis‐amide conformation. The cyclic voltammetry and electron spin resonance (ESR) experiments were conducted to study the electrochemical behavior of N‐acylhydrazones. The antiparasitic activities of compounds against Trypanosoma cruzi (epimastigotes) and Trypanosoma brucei (trypomastigotes) revealed that cyrhetrenyl complexes were more effective than their ferrocenyl analogs. The cyrhetrenyl derivative NT‐2 (EC50 = 2.25 μM) showed activity against T. brucei comparable to the standard drug nifurtimox (Nfx, EC50 = 3.56 μM). The ferrocenyl compound NT‐1 (>200 μM) was at least two times less cytotoxic than the Nfx (88.7 μM) against the L6 rat skeletal myoblast cell line and exhibited a selectivity like Nfx toward T. brucei. Density functional theory (DFT) calculations were utilized as an approximation to explain the impact of organometallic and heterocyclic rings on antiparasitic activities. This study supported the experimental results, confirming that the cyrhetrenyl fragment in N‐acylhydrazone derivatives plays a significant role in the antitrypanosomal activity, which can be attributed to an increase in positive charge on the metal.
Physico‐mechanical properties of poly(ethylene glycol)‐based polymer networks
Authors: Bilal Muhammad Humayun , Mahmood Nasir , Samiullah Muhammad Haris , Busse Karsten , Kressler Jörg
Published: September 2023

Poly(ethylene glycol) (PEG) based networks have been used extensively for biomedical applications and as solid state electrolytes. In this work, a series of PEG networks was prepared using bifunctional PEG of molar mass 400, 1000, 2000, 4000, and 6000 g mol−1 and star shaped PEG (Mn = 1000 g mol−1) cross‐linker using copper‐catalyzed Huisgen 1,3‐dipolar cycloaddition or “click” chemistry. The end‐group modification of the bifunctional polymers and the star shaped cross‐linker with alkyne and azide groups, respectively, was confirmed by 1H NMR spectroscopy. The coupling reaction between azide and alkyne functionalities for the network formation was confirmed by Fourier transform infrared (FTIR) spectroscopy. The thermal properties of polymer network were determined by differential scanning calorimetry. Swelling studies of the networks were performed to correlate the network structure with the physical properties. The molar mass between the cross‐links was determined using the Bray‐Merill modified Flory‐Rehner equation. The effect of molar mass between the cross‐linking points on the strength of the networks was compared. Additionally, the effect of the stoichiometry of the precursors on the network strength was also studied. Finally, thickness‐dependent tensile testing was performed to investigate the stress oscillation phenomenon.
Synthesis and characterization of semi‐alicyclic transparent polyimide films containing benzanilide and fluorene units with improved high‐temperature dimensional stability and low‐optical retardations
Authors: Ren Xi , He Zhibin , Wang Zhenzhong , Pan Zhen , Qi Yuexin , Han Shujun , Yu Haifeng , Liu Jingang
Published: September 2023

Two solution‐processable semi‐alicyclic transparent polyimide (PI) films with improved high‐temperature dimensional stability and low‐optical retardations were prepared from the stereo‐isomeric alicyclic dianhydrides, 1S,2R,4S,5R‐hydrogenated pyromellitic dianhydride (ccHPMDA) and 1R,2S,4S,5R‐hydrogenated pyromellitic dianhydride (ctHPMDA) and an aromatic diamine, 9,9‐bis[4‐(4‐aminobenzamide)phenyl]fluorene (FDAADA), respectively. The alicyclic cyclohexane units in the dianhydride moiety endowed the derived PI‐1 (ccHPMDA‐FDAADA) and PI‐2 (ctHPMDA‐FDAADA) films good optical transparency, the rigid‐rod benzanilide units provided the PI films low coefficients of thermal expansion (CTE), and the fluorene units resulted in good solution processability and low‐optical retardations (Rth) for the PI films. The PI films exhibited the glass transition temperatures over 400°C and the CTE value of 33.2 × 10−6/K for PI‐1 and 29.0 × 10−6/K for PI‐2 in the temperature range of 50 ~ 250°C, respectively. In addition, the PI films showed good optical transparency in the ultraviolet–visible light region with the optical transmittances higher than 80% for PI‐1 film at the wavelength of 500 nm. The PI films exhibited the average refractive indices of 1.6505 for PI‐1 and 1.6485 for PI‐2 film, respectively. The birefringence values of the PI films were all lower than 0.01, resulting in the low‐optical anisotropies with the optical retardation (Rth) of 77 nm for PI‐1 film and 84 nm for PI‐2 film.
Long‐term and fast‐bactericidal activity of methacrylamide‐based copolymer for antibiofilm coatings and antibacterial wipes applications
Authors: Prajapati Deepak G. , Mishra Abhijit
Published: September 2023

Bacterial‐related infections can be hazardous for human health and the surrounding environment. Traditional antibiotic‐based treatments for these infections are increasingly ineffective due to the emergence of antibiotic‐resistant bacteria. Antimicrobial peptide mimics have emerged as promising replacements owing to their potency against bacteria and lack of susceptibility to generate resistant cells. Thus, we synthesized a random copolymer, consisting of aminopropyl methacrylamide and benzyl methacrylamide (AB polymer) by random co‐polymerization that mimics host–defense antimicrobial peptides. For its use as a coating, the AB polymer is drop‐casted onto a cleaned glass substrate and tested for its antibacterial activity toward Escherichia coli and Staphylococcus aureus, wherein almost 99% of antibacterial activity was observed within 5 min. The prepared coating also possessed excellent longevity characteristics of up to 5 weeks. The AB polymer is also able to inhibit biofilm formation as well as disrupt a mature biofilm and can also be employed as an antibacterial wipe for cleaning bacterial contaminated surfaces. Mechanism study through SEM analysis showed that the AB polymer ruptures the bilayer membrane of both bacterial strains, thereby leading to pore formation causing cell death. Cell viability study depicted that 71% of the A549 lung carcinoma epithelial cells are viable compared to 80% on bare glass substrate. Thus, the synthesized AB polymer may be used in a variety of antibacterial applications directly in the form of solution (wipes) or forming a coating (drop casted/spray coated) for battling bacterial colonization.
Pre‐ and post‐examination reflections of first‐year medical students in an integrated medical anatomy course
Authors: Cale Andrew S. , Hoffman Leslie A. , McNulty Margaret A.
Published: September 2023

Due to the rigor and pace of undergraduate medical anatomy courses, it is not uncommon for students to struggle and fail initially. However, repetition of coursework places an additional burden on the student, instructor, and institution. The purpose of this study was to compare the exam preparation strategies of repeating and non‐repeating students to identify areas where struggling students can be supported prior to course failure. As part of their integrated anatomy course, first‐year medical students at Indiana University completed a metacognitive Practice‐Based Learning and Improvement (PBLI) assignment prior to and after their first exam. In the PBLIs, students were asked to reflect on their exam preparation strategies, confidence, and satisfaction, as well as their predicted and actual exam performance. PBLI responses from non‐repeating and repeating students were then analyzed quantitatively and qualitatively. A total of 1802 medical students were included in this study, including 1751 non‐repeating and 51 repeating students. Based on their PBLI responses, non‐repeating students were appropriately confident, somewhat satisfied, and more accurate when predicting their exam performance. Repeating students were overconfident, dissatisfied, and inaccurate when predicting their first exam performance on their initial, unsuccessful attempt but were more successful on their second, repeat attempt. Qualitative analysis revealed that repeating students aimed to improve their studying by modifying their existing study strategies and managing their time more effectively. In conjunction with other known risk factors, these insights into repeater and non‐repeater exam preparation practices can help anatomy educators better identify and support potential struggling students.
The effect of time ambiguity on choice depends on delay and amount magnitude
Authors: Ikink Iris , Roelofs Karin , Figner Bernd
Published: September 2023

Time ambiguity—that is, having partially/fully incomplete information about when an outcome will occur—is common in everyday life. A recent study showed that participants preferred options with time‐exact delays over options with time‐ambiguous delays, a phenomenon they called time‐ambiguity aversion. However, the empirical robustness and boundaries of this phenomenon remain unexplored. We conducted three online studies: Study 2 (n = 118) was a replication of Study 1 (n = 76) using preregistered analyses; Study 3 (n = 202; preregistered) was a follow‐up study suggested during review. In Studies 1 and 2, participants completed hypothetical choices between €5 today versus later‐but‐larger (LL) rewards that systematically varied in their amount, delay, and time‐ambiguity level (e.g., for a 180 day delay, time ambiguity varied from 179 to 181 to 0–360 days). Effects of time ambiguity on choice were best encoded in an absolute, dose‐dependent manner and depended on delays and amounts: Increasing time ambiguity led to more time‐exact LL choices at shorter delays but more time‐ambiguous LL choices at longer delays. Additionally, time‐ambiguity ranges including today were chosen more frequently than ranges excluding today, akin to the present bias in intertemporal choice. Lastly, evidence suggested that more time ambiguity was preferred for smaller LL amounts yet disliked for larger LL amounts. Study 3 demonstrated that time‐risk and time‐ambiguity preferences are differentiable by giving participants choices involving hypothetical time‐exact, time‐ambiguous, and time‐risky options. Taken together, our results extend the nascent literature on time ambiguity by showing that (i) time‐ambiguity preferences are distinguishable from both time‐risk and delay preferences and (ii) time ambiguity is not generally aversive, but its impact depends on delay and amount magnitude.
Is Research Reproducibility the New Data Management for Libraries?
Authors: Vitale Cynthia R.H.
Published: September 2023

EDITOR'S SUMMARY

With reproducibility of research becoming a leading issue in academia, libraries are examiningtheir role in promoting data and information transparency. The National Science Foundation's requirement for data management plans in research projects, grant applications stressing evidence of unbiased results and scholars' demands for standards for reproducibility together highlight the need for attention to the issue.Libraries increasingly seek staff with skills to support their data repositories, curation and data management services, and library and information science programs are responding to the growing need for specialization, including courses in research reproducibility. A ready solution may be for librarians to develop best practices for research transparency and methods to document research workflow. As the demand grows for evidence that research can be replicated, libraries are well positioned not only to manage research data properly but also to enable it to be analyzed for reproducibility.
Value of high‐resolution full‐field optical coherence tomography and dynamic cell imaging for one‐stop rapid diagnosis breast clinic
Authors: Simon Alexis , Badachi Yasmina , Ropers Jacques , Laurent Isaura , Dong Lida , Da Maia Elisabeth , Bourcier Agnès , Canlorbe Geoffroy , Uzan Catherine
Published: September 2023

Background

Full‐field optical coherence tomography combined with dynamic cell imaging (D‐FFOCT) is a new, simple‐to‐use, nondestructive, quick technique that can provide sufficient spatial resolution to mimic histopathological analysis. The objective of this study was to evaluate diagnostic performance of D‐FFOCT for one‐stop rapid diagnosis breast clinic.

Methods

Dynamic full‐field optical coherence tomography was applied to fresh, untreated breast and nodes biopsies. Four different readers (senior and junior radiologist, surgeon, and pathologist) analyzed the samples without knowing final histological diagnosis or American College of Radiology classification. The results were compared to conventional processing and staining (hematoxylin–eosin).

Results

A total of 217 biopsies were performed on 152 patients. There were 144 breast biopsies and 61 lymph nodes with 101 infiltrative cancers (49.27%), 99 benign lesions (48.29%), 3 ductal in situ carcinoma (1.46%), and 2 atypias (0.98%). The diagnostic performance results were as follow: sensitivity: 77% [0.7;0.82], specificity: 64% [0.58;0.71], PPV: 74% [0.68;0.78], and NPV: 75% [0.72;0.78]. A large image atlas was created as well as a diagnosis algorithm from the readers' experience.

Conclusion

With 74% PPV and 75% NPV, D‐FFOCT is not yet ready to be used in clinical practice to identify breast cancer. This is mainly explained by the lack of experience and knowledge of this new technic by the four lectors. By training with the diagnosis algorithm and the image atlas, radiologists could have better outcomes allowing quick detection of breast cancer and lymph node involvement. Deep learning could also be used, and further investigation will follow.
The potential protective effect of liraglutide on valproic acid induced liver injury in rats: Targeting HMGB1/RAGE axis and RIPK3/MLKL mediated necroptosis
Authors: Atef Marwa Mohamed , Abou Hashish Nourhan A. , Hafez Yasser Mostafa , Selim Ahmed Fawzy , Ibrahim Hoda A. , Eltabaa Eman Fawzy , Rizk Fatma H. , Shalaby Amany Mohamed , Ezzat Nadia , Alabiad Mohamed Ali , Elshamy Amira M.
Published: September 2023

Valproic acid (VPA) is a commonly used drug for management of epilepsy. Prolonged VPA administration increases the risk of hepatotoxicity. Liraglutide is a glucagon‐like peptide 1 receptor (GLP‐1R) agonist that act as a novel antidiabetic drug with broad‐spectrum anti‐inflammatory and antioxidant effects. This study tested the protective effect of liraglutide against VPA‐induced hepatotoxicity elucidating the possible underlying molecular mechanisms. Forty adult male rats were allocated in to four equally sized groups; Group I (control group) received oral distilled water and subcutaneous normal saline for 2 weeks followed by subcutaneous normal saline only for 2 weeks. Group II (liraglutide group) received subcutaneous liraglutide dissolved in normal saline daily for 4 weeks. Group III (valproic acid‐treated group) received sodium valproate dissolved in distilled water for 2 weeks. Group IV (Combined valproic acid & liraglutide treated group) received valproic acid plus liraglutide daily for 2 weeks which was continued for additional 2 weeks after valproic acid administration. The hepatic index was calculated. Serum AST, ALT, GGT, and ALP activities were estimated. Hepatic tissue homogenate MDA, GSH, SOD, HMGB1, MAPK, RIPK1, and RIPK3 levels were evaluated using ELISA. However, hepatic RAGE and MLKL messenger RNA expression levels using the QRT‐PCR technique. Hepatic NF‐κB and TNF‐α were detected immunohistochemically. Results proved that liraglutide coadministration significantly decreased liver enzymes, MDA, HMGB1, MAPK, RIPK1 RIPK3, RAGE, and MLKL with concomitant increased GSH and SOD in comparison to the correspondent values in VPA‐hepatotoxicity group. Conclusions: Liraglutide's protective effects against VPA‐induced hepatotoxicity are triggered by ameliorating oxidative stress, inflammation, and necroptosis.
Thrombus or tumor?
Authors: Wakasa Shiho , Hayashi Hiroya , Yamazaki Takanori , Izumiya Yasuhiro , Fukuda Daiju
Published: September 2023

Key clinical message

Contrast defects in veins are often diagnosed as benign thrombi, but depending on the patient’s background it is necessary to differentiate between tumor thrombi. It is difficult to differentiate between these using contrast‐enhanced CT alone, but with angioscopy it is easy to visually distinguish between a benign and tumor thrombi.

Contrast‐enhanced computer tomography (CT) performed on a male patient being treated for de‐differentiated chondrosarcoma revealed contrast defects in the pulmonary artery and right femoral vein, and a diagnosis of pulmonary artery thromboembolism and venous thromboembolism was made, and oral anticoagulant therapy was started. However, a follow‐up CT showed that the contrast defect had extended to the inferior vena cava. Observation using an angioscope revealed that it was not a benign thrombi but a tumor.
Conformational Selection and Induced Fit: The Behavior of Two Homologous Proteases
Authors: Maus Hannah , Hinze Gerald , Hammerschmidt Stefan J. , Schirmeister Tanja , Basché Thomas
Published: September 2023

Protein‐ligand interactions are crucial for many cellular processes, with details of the binding mechanism being discussed as essential for biological functions. Interestingly, protein binding often involves conformational changes between two or more states, whereby different binding mechanisms are possible even with a simple two‐state description. Two models are widely used to portray protein‐ligand interactions: Induced fit and conformational selection. However, distinguishing them experimentally is challenging. Single‐molecule Förster resonance energy transfer (smFRET) has emerged as a powerful tool to resolve structural dynamics at the level of single proteins. Here, we investigated immobilized Zika virus (ZIKV) and dengue virus (DENV2) NS2B‐NS3 proteases using smFRET to compare their conformational changes upon binding to competitive small molecule inhibitors. The analysis of the smFRET data allowed us to distinguish between induced fit and conformational selection models and assign the binding mechanism from the kinetic parameters obtained. Although DENV and ZIKV protease are proteins with high structural similarities, our results reveal that they have opposite binding mechanisms for competitive ligands. While the protein‐ligand interaction in the ZIKV protease follows an induced fit mechanism, the DENV protease follows the conformational selection mechanism.
A test of the spender‐saver perception scale
Authors: Kruger Michelle , Grable John E.
Published: September 2023

The purpose of this paper is to present insights into the development, testing, and use of the Spender‐Saver Perception Scale—a scale that measures a person's perception of their romantic partner's financial behavior on a continuum from spender to saver.
Brentuximab vedotin treatment for mycosis fungoides with CD30+ large‐cell transformation in the early stage
Authors: Hayashi Shujiro , Tokoro Shown , Igawa Ken
Published: September 2023

In this paper, we bring hope to patients with mycosis fungoides (MF) with CD30+ large‐cell transformation (LCT), which is often a histological marker of poor prognosis and is associated with a mean 5‐year survival of <20%. Although skin biopsy is a painful procedure, it is the only test for early diagnosis of LCT. Stage IIB has a significantly worse 5‐year survival rate compared with stage IB/IIA, which often plagues clinicians regarding appropriate treatment selection. In this case, the discovery of LCT by skin biopsy prompted treatment with BV. Thus, proactive rebiopsy is important so that CD30+ LCT is not overlooked in the early stage of MF.
Numerical prediction of fire dynamics and the safety zone in large‐scale multiple pool fire in a dike using flamelet model
Authors: Nemalipuri Pruthiviraj , Singh Vasujeet , Vitankar Vivek , Das Harish Chandra , Pradhan Malay Kumar
Published: September 2023

This research aims to develop a computational fluid dynamics (CFD) methodology for estimating the safety zone around a dike with multiple pool fire (MPF). This study predicts the safety zone and burning characteristics of heptane MPF inside a square dike in calm wind and worst‐case crosswind situations using unsteady simulations. The heptane MPF is modelled using flamelet approach with large eddy simulation (LES) turbulence model incorporating the soot generation. Discrete ordinates and Moss–Brookes model estimate the effect of participating medium radiation on prediction of safety distance and soot production. The discretization is incorporated using an isotropic trimmed cell mesher with local refinement to resolve the flame characteristics in Simcenter STAR CCM+. An extensive grid‐independence study has been executed to find the optimal mesh. The flame temperature and O2 and CO2 mass fraction predictions in calm wind conditions are in good agreement with the experimental findings of Koseki and Yumoto and the maximum flame temperature predictions are within 2.8% error. The safety zone is predicted using the estimated radiative heat flux. The effect of different ordinate sets (angular discretization S4, S6, and S12) approach on safety distance prediction is investigated. The validated grid independent CFD model combined with flamelet generated manifold model and LES turbulence model is proposed to predict the safety zone for industrial MPF in crosswind scenarios, thereby preventing human fatalities and property loss.
Modification of VPO4 with carbon and 3DG for high performance lithium‐ion battery anode
Authors: Hu Lizhen , Gao Nengshuang , Huang Bin , Yu Hesheng , Chen Quanqi
Published: September 2023

Lithium‐ion batteries (LiBs) are one of the most promising energy storage devices. However, the large‐scale application of LiBs is limited by their electrochemical properties. In this study, we built a three‐dimensional (3D) conductive network structure with carbon and 3DG coating VPO4 (VPO4@C@3DG) via a one‐pot hydrothermal method with subsequent high‐temperature annealing. The effects of the content of three‐dimensional porous graphene (3DG) on the crystal structure, morphology, and electrochemical properties of VPO4/C are investigated using characterization and electrochemical test techniques. The SEM images show that the size of sphere‐like particles of VPO4@C@3DG composite with 20 wt.% of 3DG (VPO4@C@3DG‐20) is the smallest in all samples. In addition, the electrochemical experimental results reveal that VPO4@C@3DG‐20 exhibits the best cycling and rate performance compared to other VPO4@C@3DG composites. Specifically, VPO4@C@3DG‐20 achieves an initial charge capacity of 601.2 mAh g−1 at 0.2 C (110 mA g−1) and keeps at 354 mAh g−1 at the 100th cycle. This is because the introduction of 20 wt.% 3DG graphene inhibits the growth and aggregation of the particles, thus shortening the diffusion path of Li+. In addition, the 3D conducting network structure boosts the conductivity of the materials and buffers the volume variation resulting from the charging/discharging process.
Solvatochromic Properties of (Iso)quinolylpyrrole‐Boron Difluoride Complexes Bearing an N,N‐Diphenylanilinyl Group and Its Regiochemical Effect
Authors: Nakano Takeo , Fujikawa Shigenori
Published: September 2023

Asymmetric boron complexes composed of (iso)quinolyl‐pyrrole ligands possessing a triphenylamine unit on the (iso)quinoline or pyrrole moieties were systematically prepared. Their optical properties were investigated in various organic solvents, and they showed solvatochromic properties, which were influenced by the π‐structure of the ligands and the position of the electron‐donor group. The degrees of changes in the emission color changed significantly between regioisomeric chromophores 1 and 2. In this study, the solvatochromic properties of the compounds were investigated and described using both experimental and computational results.
DFT, Molecular Docking, Energy‐Framework, In‐silico ADME Analysis of 2,6‐Diamino‐4‐chloropyrimidine–succinic Acid (2/1)
Authors: Chakkarapani Nandhini , Madhukar Hemamalini , Venkatachalam Rajakannan
Published: September 2023

Computational modelling and simulation have made it possible to considerably advance in the exploration of conformational and dynamical features of the desired compound. It not only assists in the interpretation of the experimental result, but also to provide insights about the internal motions of the molecule at the atomic level. In this work, Density Functional Theory calculations are performed to replicate the experimental electronic structure of 2C4H5ClN4.C4H6O4, and its nature is discussed in detail. The B3LYP/6‐311++G(d,p) basis set applied to evaluate the optimal structure characteristics resulted in revealing the corresponding chemical, physical, and biological properties of the molecule. The energy exchange between the contributor and receiver are examined by Natural Bond Orbital analysis. Based on frontier molecular orbitals analysis, the obtained minimum energy gap (0.199 eV) value ensures the stability of the title compound. The molecular electrostatic potential mapping predicts the electrophilic and nucleophilic charge distributions on the molecule. The 3D topology of the crystal packing is analyzed and interpreted via the energy‐framework simulation studies using CystalExplorer software. Through the In‐silico‐ADME calculations, the drug‐likeness and physicochemical properties of the molecule is predicted. Furthermore, the molecular docking studies are used to determine the bioactivity and anti‐diabetic properties of the title compound.
Maize leaf angle genetic gain is slowing down in the last decades
Authors: Elli Elvis F. , Edwards Jode , Yu Jianming , Trifunovic Slobodan , Eudy Douglas M. , Kosola Kevin R. , Schnable Patrick S. , Lamkey Kendall R. , Archontoulis Sotirios V.
Published: September 2023

Quantifying historical changes in maize leaf angle and factors affecting it can enhance our understanding of canopy architecture and light capture, and hence crop productivity. Our objectives were to (1) quantify leaf angle genetic gain per canopy position in Bayer's legacy maize (Zea mays L.) hybrids; (2) dissect the contribution of breeding from plant density on historical changes in leaf angle; and (3) synthesize our findings with literature to determine leaf angle changes over a century of breeding. We measured leaf angle in 78 maize hybrids released between 1980 and 2020 across eight environments in the US Corn Belt. We found that new hybrids had on average 6° more erect leaves than old hybrids. The leaf angle genetic gain (toward more erect leaves) was on average 0.08% year−1 for the middle canopy leaves and eightfold larger for the flag leaf. Our results revealed a synergistic effect with similar contributions of maize breeding and plant density on historical leaf angle changes in the middle canopy. However, changes in the bottom and top canopy leaves were due to breeding. Our results, combined with literature, revealed consistent trends toward more vertical leaves over a century of maize breeding, but the leaf angle genetic gain is slowing down in the last decades. This suggests that leaf angle may have reached near‐optimum levels and that multiple ways to maintain the grain yield genetic gain have been functioning in maize breeding. Our study provides prospects to inform breeders and crop modelers to better understand maize leaf architecture and crop yields.
E, S, and G, not ESG: Heterogeneous effects of environmental, social, and governance disclosure on green innovation
Authors: Yang Chong , Yang Ruilu , Zhou Yang , Liu Zhiying
Published: September 2023

China's environmental governance exhibits a significant imbalance with its economic development. To enhance the “green” and sustainable practices of enterprises, employing environmental, social, and governance (ESG) principles is imperative. The literature examining the correlation between ESG and green innovation (GI) lacks detailed clarity and obscures the different effects of each dimension. Inefficient resource allocation may also result from ignoring the distinct implementation costs associated with each dimension of ESG. Such problems eventually hinder the guidance of corporate practices. Therefore, the promoting or inhibiting effects stemming from each of these dimensions warrant further study. In this paper, we use data from A‐share listed companies in China for the years 2004 to 2020 to investigate the mechanism that links the E, S, and G dimensions of ESG with GI from an externality perspective. We prove a linear or U‐shaped relationship between the E or S dimension and GI, and we explore the mediating effect of financing constraints on these relationships. We compare these dimensions under a unified theoretical framework to clarify their differences in externality and internality. This study's results highlight the importance for enterprises to emphasise environmental issues and social recognition, instead of just corporate operations, to achieve sustainable development.
Incidence of dementia over a period of 20 years in a Norwegian population
Authors: Johnsen Bente , Martinaityte Ieva , Wilsgaard Tom , Schirmer Henrik
Published: September 2023

INTRODUCTION

In Norway, the prevalence of dementia is higher than in demographically comparable, high income countries, but reliable incidence studies are lacking. This study calculated the incidence of age‐specific dementia from 2000 to 2019.

METHODS

Participants from The Tromsø Study (n = 44,214) were included. Participants with a dementia diagnosis (n = 2049 cases) were identified. Poisson regression was used to calculate age‐specific yearly and 5‐year incidence rates from 2000 to 2019.

RESULTS

The incidence of dementia has decreased from 2000 to 2019. The trend was highly significant for ages of 60–99 years, and was similar for both sexes.

DISCUSSION

The incidence of dementia in North Norway has decreased over the past two decades similar to that in Western countries, indicating that the total prevalence is increasing due to an aging population. This decrease of incidence could introduce a reduction in future estimation of dementia prevalence.
Metal‐Catalysed Synthesis of Benzofused Five‐Membered N/O/S‐Heterocycles, a Progressive Area in Synthetic Organic Chemistry
Authors: Kumar Manoj , Verma Shalini , Sharma Mukul , Poonam  , Rathi Brijesh
Published: September 2023

Benzo‐fused five‐membered N/O/S heterocyclic compounds, such as indole, benzofuran, and benzothiophene, possessing a single heteroatom, have important applications in medicinal chemistry, agrochemistry, and material chemistry. Metal‐catalysed reactions are well‐established synthetic pathways for the formation of C−X bonds, enabling the direct synthesis of heterocycles. This approach offers advantages over traditional methods, such as fewer steps, increased atom economy, low catalyst loading, regioselectivity, and stereoselectivity. Due to their widespread use in the pharmaceutical industry, the formation of C−N, C−O, and C−S bonds has gained significant attention. This article focusses on the metal‐catalysed synthesis and corresponding mechanistic approaches for N/O/S‐heterocycles, particularly indole, benzofuran, and benzothiophene, reviewing the progress of the past five years and discussing unexplored future opportunities.
Intercropping with Solanum sect. Solanum (Solanaceae) increases selenium uptake of ‘Summer Black’ grapevine
Authors: Zhang Xuemei , Wang Jin , Liu Qin , Huang Kewen , Huang Yan , Liao Ming'an , Liu Lei , Wang Ting , Deng Qunxian , Lin Lijin
Published: September 2023

To improve the selenium (Se) absorption of grape, in this study, a pot experiment was carried out to study the effects of intercropping with four Solanum sect. Solanum (Solanaceae), including Solanum nigrum var. humile, Solanum diphyllum, Solanum nigrum, and Solanum alatum, on the Se absorption of ‘Summer Black’ grapevine. Intercropping increased the malondialdehyde contents in ‘Summer Black’ grapevine, which in turn reduced the biomass, photosynthetic pigments (chlorophyll a, chlorophyll b, carotenoid) contents, and antioxidant enzymes (superoxide dismutase, peroxidase, and catalase) activities of ‘Summer Black’ grapevine. Except S. alatum, intercropping with S. nigrum var. humile, S. diphyllum, and S. nigrum increased the Se content in ‘Summer Black’ grapevine, which increased the shoot Se content of ‘Summer Black’ grapevine by 56.2%, 18.1%, and 45.1%, respectively, compared with the monoculture. Additionally, correlation and grey relational analyses revealed that the root Se content was the most closely associated with the shoot Se content. In conclusion, intercropping with S. nigrum var. humile, S. diphyllum, and S. nigrum promote the Se accumulation in ‘Summer Black’ grapevine but inhibit its growth, and intercropping with S. nigrum var. humile has the best effect on the improvement of Se level in ‘Summer Black’ grapevine, which can be used for Se‐enriched grape production.
Hesperidin reduces depressive symptoms in post‐coronary artery bypass graft patients with mild depression
Authors: Khorasanian Atie Sadat , Jazayeri Shima , Omidi Negar , Booyani Zahra , Morvaridi Mehrnaz , Tehrani‐Doost Mehdi , Hoseini Agha Fateme , Nejatian Mostafa , Aryaeian Naheed
Published: September 2023

Previous studies have shown that hesperidin may have beneficial effects on depression; however, to the best of our knowledge, no clinical trial has yet been conducted in this area. The aim of the present study was, therefore, to determine the effects of hesperidin on depression, serum brain‐derived neurotrophic factor (BDNF), and serum cortisol levels in post‐coronary artery bypass graft (CABG) patients. Toward this goal, 73 post‐CABG patients with depression symptoms were enrolled. The participants were randomly divided into two groups to receive either 200 mg/day hesperidin (n = 38) or placebo (n = 35) for 12 weeks. Depressive symptoms, serum BDNF, and cortisol levels were then assessed at the baseline and after intervention. Beck Depression Inventory‐II (BDI‐II) was also used to determine the severity of depression. Sixty‐six patients completed the trial. Hesperidin decreased depression severity after 12 weeks, as compared to placebo (p = .004), but serum BDNF and cortisol were not statistically significantly different in the two groups after the intervention. Subgroup analyses also showed that, while in the patients with mild depression, the score of BDI‐II was significantly different in the hesperidin and placebo groups after intervention; there was no difference in the severity of depression between the two groups in patients with moderate‐to‐severe depression. To conclude, a dose of 200 mg/day hesperidin may reduce depressive symptoms after 12 weeks in post‐CABG patients with mild depression.
Assessment of aerosol optical and physical properties and implications for radiative effects over the semiarid region of Indo‐Gangetic Basin
Authors: Gupta Pratima , Jangid Ashok , Kumar Ranjit
Published: September 2023

This study assesses the physical and optical properties and estimated the radiative forcing of aerosol at Agra over the Indo‐Gangetic Basin (IGB) during July 2016–December 2019 using black carbon (BC) mass concentration (AE‐33 aethalometer), data sets from satellite and model simulations. The optical properties of aerosol and radiative forcing have been measured by the Optical and Physical Properties of Aerosols and Clouds (OPAC) and Santa Barbara Discrete Ordinate Radiative Transfer Atmospheric Radiative Transfer (SBDART) model. The high BC mass concentration has been observed in November and lowest in August. An adverse meteorological condition due to a combination of temperature and low wind speed results in poor dispersion in the wintertime is a common factor for high concentration level pollutants over Agra. The diurnal and temporal cycle of BC mass concentration exhibits a high concentration at nighttime due to the lower atmospheric boundary layer. The seasonal variation of absorption coefficient (βabs) and Absorption Angstrom Exponent (AAE) is found to be higher during post‐monsoon and lowest in monsoon season. This suggests that black carbon concentration over Agra is mainly generated from crop burning, waste burning, automobile exhaust and long‐range transport from Punjab and Haryana as the present site is downwind. OPAC‐derived aerosol optical depth (AOD), single‐scattering albedo (SSA), Angstrom Exponent (AE) and asymmetry parameter (AsyP) were estimated to be 0.57 ± 0.07, 0.78 ± 0.16, 0.99 ± 0.21 and 0.81 ± 0.15, respectively. AOD and AE from the OPAC and the moderate resolution imaging spectroradiometer (MODIS) have shown the consistent relationship. The mean radiative forcing is 18.3 ± 2.1 W m−2 at the top of the atmosphere while, at the surface, net radiative forcing is −42.4 ± 7.2 and 59.1 ± 6.5 W m−2 at the atmosphere during the study period. Vertical profiles were estimated using the observations from Cloud‐Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) satellite and the change in heating rate from the SBDART model over Agra.
Astrocyte‐like subpopulation of NG2 glia in the adult mouse cortex exhibits characteristics of neural progenitor cells
Authors: Janeckova Lucie , Knotek Tomas , Kriska Jan , Hermanova Zuzana , Kirdajova Denisa , Kubovciak Jan , Berkova Linda , Tureckova Jana , Camacho Garcia Sara , Galuskova Katerina , Kolar Michal , Anderova Miroslava , Korinek Vladimir
Published: September 2023

Glial cells expressing neuron‐glial antigen 2 (NG2), also known as oligodendrocyte progenitor cells (OPCs), play a critical role in maintaining brain health. However, their ability to differentiate after ischemic injury is poorly understood. The aim of this study was to investigate the properties and functions of NG2 glia in the ischemic brain. Using transgenic mice, we selectively labeled NG2‐expressing cells and their progeny in both healthy brain and after focal cerebral ischemia (FCI). Using single‐cell RNA sequencing, we classified the labeled glial cells into five distinct subpopulations based on their gene expression patterns. Additionally, we examined the membrane properties of these cells using the patch‐clamp technique. Of the identified subpopulations, three were identified as OPCs, whereas the fourth subpopulation had characteristics indicative of cells likely to develop into oligodendrocytes. The fifth subpopulation of NG2 glia showed astrocytic markers and had similarities to neural progenitor cells. Interestingly, this subpopulation was present in both healthy and post‐ischemic tissue; however, its gene expression profile changed after ischemia, with increased numbers of genes related to neurogenesis. Immunohistochemical analysis confirmed the temporal expression of neurogenic genes and showed an increased presence of NG2 cells positive for Purkinje cell protein‐4 at the periphery of the ischemic lesion 12 days after FCI, as well as NeuN‐positive NG2 cells 28 and 60 days after injury. These results suggest the potential development of neuron‐like cells arising from NG2 glia in the ischemic tissue. Our study provides insights into the plasticity of NG2 glia and their capacity for neurogenesis after stroke.