bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization of prolamin storage protein profiles in Tunisian pearl millet landraces toward better utilization and improvement
Authors: Ben‐Romdhane Mériam , Riahi Leila , Borji Manel , Riahi Jawaher , Chibani Farhat , Ghorbel Abdelwahed , Zoghlami Nejia 
Published: August 2023

AbstractBackground and ObjectivesThis study reports for the first time the variation of prolamin profiles among 51 pearl millet landraces representing seven populations prospected from contrasted bioclimatic areas of Tunisia.FindingsA total of 27 prolamins bands were detected, ranging from 11 to 245 kDa. Among them, 14 were polymorphic, resulting in a polymorphism rate of 51.85%. The bands with lower molecular weights are the most frequent. The biochemical marker M25.4 showed the highest value of Nei genetic diversity (h = 0.500), Shannon information index (I = 0.693), and effective number of alleles per locus Ne (2). At the population level, the polymorphism rates ranged between 50% (Mahdia) and 92.86% (Hammem Jebli, Kairouan, Medenine). The population of Kairouan showed the highest genetic diversity indices (I = 0.511 ± 0.054, h = 0.345 ± 0.041), while the lowest levels were recorded for the population of Mahdia (I = 0.268 ± 0.076, h = 0.177 ± 0.052). Analysis of molecular variance analysis indicated that the highest amount of genetic diversity was encompassed within the studied populations (89%). This was supported by low genetic differentiation (PhiPT = 0.110, p = .029) and Nei genetic distance values. The classification pattern using ward dendrogram and factorial analyses revealed the distinction of two clusters with a low genetic structure based on the geographic origins of landraces.Significance and NoveltyThe detected biochemical protein polymorphism could be a highly effective tool for the genetic resources characterization of pearl millet landraces, which will be further utilized in breeding investigations and taxonomic surveys of this cereal crop.
Mitral valve replacement with annuloplasty in a patient with infected mitral annular calcification
Authors: Horibe Tatsuya , Hidaka Hideaki , Numaguchi Ryosuke , Takaki Jun , Nishigawa Kosaku , Yoshinaga Takashi , Fukui Toshihiro 
Published: August 2023

Key Clinical MessageExtensive resection of the infected calcified annulus and the reconstruction with a pericardial patch for the debrided annulus is an effective surgical option for the treatment of infectious endocarditis in patients with mitral annular calcification.AbstractA 78‐year‐old woman was referred to our hospital because of left‐sided hemiparesis. During the treatment for cerebral infarction, the patient became feverish and lost consciousness. Transthoracic echocardiography revealed mitral annular calcification and a tumor‐like mass on the posterior leaflet despite no findings of mitral regurgitation. She underwent successful mitral valve replacement with debridement of the infected mitral annulus and reconstruction of the posterior annulus (annuloplasty) with bovine pericardium after removal of the mitral annular calcification.
A Dinuclear Re Complex as a Multi Talent – Photocatalysis and Electrocatalysis combined with Spectroscopy
Authors: Obermeier Martin , Caliskanyuerek Volkan , Lomlu Rana , Giereth Robin , Cula Beatrice , Tschierlei Stefanie , Schwalbe Matthias 
Published: August 2023

AbstractMononuclear rhenium complexes have been widely studied as photo‐ and electrocatalysts. However, dinuclear systems with cooperative properties have rarely been investigated. On the basis of two homobimetallic rhenium complexes, we report the synthesis and characterization of two isomers and their photo‐ and electrochemical properties. By combining the respective isomer with the photosensitizer [Ir(dFppy)3] (Ir, dFppy=2‐(4,6‐difluorophenyl) pyridine)) enhanced CO2 to CO transformation could be observed and by further spectroscopic investigations the reaction mechanism could be fathomed. The observed enhanced catalytic activity compared to monometallic systems derives from the cooperative Re−Re interaction through two electron reduction on the complex (and thereby formation of an intermediate species with a Re−Re bond). Using LSV measurements the cooperative CO2 activation was also observed for one of the isomers, cisL1‐Re2Cl2, in electrocatalytic measurements. The two isomers have a somewhat lower catalytic activity than earlier prepared geometric isomers, but show better catalytic properties than their mononuclear counterpart.
Continuous Reactive Crystallization in a Mesoscale Oscillatory Baffled Reactor
Authors: Ahmed Safaa M. R. , Walton David , Gheni Saba A. , Phan Anh N. 
Published: August 2023

AbstractContinuous reactive crystallization was carried out in a mesoscale oscillatory baffled reactor (meso‐OBR), using calcium carbonate as a case study to demonstrate the ability of high solid loadings and to examine the fouling potential in continuous processes. Plug flow behavior was easily achieved in reactive solid‐liquid phase reaction systems, as evidenced by the rapid establishment of a steady state. Effects of the operating conditions (reactant concentration, mixing conditions, and temperature) on the yield, particle size, and particle size distribution were studied. Increasing the reactant concentration and oscillation conditions reduced the particle size whereas increasing the operating temperature led to a large particle size. The meso‐OBR produced uniformly shaped spherical crystals, with a 35 % reduction in average particle size and high purity compared to conventional stirred tanks. The meso‐OBR could be used continuously for up to 6 h with less than 1 wt % of fouling (product loss).
Supercritical Methanol and Ethanol Solubility Estimation by Using Molecular Dynamics Simulation
Authors: Moradi Hojatollah , Azizpour Hedayat , Khadiv-Parsi Parissa , Ghorbani Nia Reyhane 
Published: August 2023

AbstractSolubility plays a crucial role in arranging extraction operations. Among solvents, supercritical methanol and ethanol have distinct extraction applications; thus, investigating their solubility parameters is crucial. This study investigates the solubility parameters of supercritical methanol and ethanol using molecular dynamics simulation at variable temperatures and pressures. The predicted solubility parameters for the solvents match the theoretical data. In this case, the root mean square error values for supercritical methanol and sub‐/supercritical ethanol were 0.6934 and 1.0643, respectively. To realize the electrostatic and van der Waals interactions, the Ewald and atom‐based summation methods were used, respectively. Also, this study shows that improving the density linearly enhances the solubility.
Photo‐Catalyzed α‐Arylation of Enol Acetate Using Recyclable Silica‐Supported Heteroleptic and Homoleptic Copper(I) Photosensitizers
Authors: Body Nathalie , Bevernaegie Robin , Lefebvre Corentin , Jabin Ivan , Hermans Sophie , Riant Olivier , Troian‐Gautier Ludovic 
Published: August 2023

AbstractEarth‐abundant photosensitizers are highly sought after for light‐mediated applications, such as photoredox catalysis, depollution and energy conversion schemes. Homoleptic and heteroleptic copper(I) complexes are promising candidates in this field, as copper is abundant and the corresponding complexes are easily obtained in smooth conditions. However, some heteroleptic copper(I) complexes suffer from low (photo)stability that leads to the gradual formation of the corresponding homoleptic complex. Such degradation pathways are detrimental, especially when recyclability is desired. This study reports a novel approach for the heterogenization of homoleptic and heteroleptic Cu complexes on silica nanoparticles. In both cases, the photophysical properties upon surface immobilization were only slightly affected. Excited‐state quenching with aryl diazonium derivatives occurred efficiently (108–1010 M−1 s−1) with heterogeneous and homogeneous photosensitizers. Moderate but almost identical yields were obtained for the α‐arylation of enol acetate using the homoleptic complex in homogeneous or heterogeneous conditions. Importantly, the silica‐supported photocatalysts were recycled with moderate loss in photoactivity over multiple experiments. Transient absorption spectroscopy confirmed that excited‐state electron transfer occurred from the homogeneous and heterogeneous homoleptic copper(I) complexes to aryl diazonium derivatives, generating the corresponding copper(II) center that persisted for several hundreds of microseconds, compatible with photoredox catalysis applications.
Activation of the GaI Cation for Bond Activation: from Oxidative Additions into C−Cl and H−P Bonds to Reversible Insertion into P4
Authors: Dabringhaus Philipp , Heizmann Tim , Krossing Ingo 
Published: August 2023

AbstractAlthough the discovery of the GaI complex salt [Ga(PhF)2‐3][Al(ORF)4] (RF=C(CF3)3, PhF=C6H5F) invoked the preparation of a diverse library of cationic Ga(I) coordination complexes and clusters, studies on small molecule activation with low‐valent GaI cations are scarce. Herein, a first experimental study on the reactivity of a monomeric Ga(I) cation activated with a pyridine–diimine pincer ligand (in [Ga(PDIdipp)][Al(ORF)4]) towards small‐molecules is reported. First controlled oxidative additions of the GaI cation into C−Cl, H−P and P−P bonds are presented. Moreover, the [4+1]cycloaddition to butadienes was achieved. Intriguingly, the isolated, blue insertion product into the P−P bond of P4 allows for the quantitative release of the P4 molecule upon reaction with AlEt3 and butadienes. Reversible P4 insertion of main‐group metals has previously been reported for Ge and Sn, respectively. The experimental study is supported by high‐level computational analysis of the in‐part reversible oxidative additions at the DLPNO‐CCSD(T)/def2‐TZVPP//PBEh‐3c/def2‐mSVP level of theory with COSMO‐RS solvation in 1,2‐difluorobenzene.
Vanadium(V) Pyridine‐Containing Schiff Base Catecholate Complexes are Lipophilic, Redox‐Active and Selectively Cytotoxic in Glioblastoma (T98G) Cells
Authors: Kostenkova Kateryna , Levina Aviva , Walters Drew A. , Murakami Heide A. , Lay Peter A. , Crans Debbie C. 
Published: August 2023

AbstractTwo new series of complexes with pyridine‐containing Schiff bases, [VVO(SALIEP)L] and [VVO(Cl‐SALIEP)L] (SALIEP=N‐(salicylideneaminato)‐2‐(2‐aminoethylpyridine; Cl‐SALIEP=N‐(5‐chlorosalicylideneaminato)‐2‐(2‐aminoethyl)pyridine, L=catecholato(2−) ligand) have been synthesized. Characterization by 1H and 51V NMR and UV‐Vis spectroscopies confirmed that: 1) most complexes form two major geometric isomers in solution, and [VVO(SALIEP)(DTB)] (DTB=3,5‐di‐tert‐butylcatecholato(2−)) forms two isomers that equilibrate in solution; and 2) tert‐butyl substituents were necessary to stabilize the reduced VIV species (EPR spectroscopy and cyclic voltammetry). The pyridine moiety within the Schiff base ligands significantly changed their chemical properties with unsubstituted catecholate ligands compared with the parent HSHED (N‐(salicylideneaminato)‐N′‐(2‐hydroxyethyl)‐1,2‐ethanediamine) Schiff base complexes. Immediate reduction to VIV occurred for the unsubstituted‐catecholato VV complexes on dissolution in DMSO. By contrast, the pyridine moiety within the Schiff base significantly improved the hydrolytic stability of [VVO(SALIEP)(DTB)] compared with [VVO(HSHED)(DTB)]. [VVO(SALIEP)(DTB)] had moderate stability in cell culture media. There was significant cellular uptake of the intact complex by T98G (human glioblastoma) cells and very good anti‐proliferative activity (IC50 6.7±0.9 μM, 72 h), which was approximately five times higher than for the non‐cancerous human cell line, HFF‐1 (IC50 34±10 μM). This made [VVO(SALIEP)(DTB)] a potential drug candidate for the treatment of advanced gliomas by intracranial injection.
Catalytic Inhibition of Base‐Mediated Reactivity by a Self‐Assembled Metal‐Ligand Host
Authors: da Camara Bryce , Woods Connor Z. , Sharma Komal , Wu Hoi‐Ting , Farooqi Naira S. , Chen Changwei , Julian Ryan R. , Vander Griend Douglas A. , Hooley Richard J. 
Published: August 2023

AbstractSpacious M4L6 tetrahedra can act as catalytic inhibitors for base‐mediated reactions. Upon adding only 5 % of a self‐assembled Fe4L6 cage complex, the conversion of the conjugate addition between ethylcyanoacetate and β‐nitrostyrene catalyzed by proton sponge can be reduced from 83 % after 75 mins at ambient temperature to <1 % under identical conditions. The mechanism of the catalytic inhibition is unusual: the octacationic Fe4L6 cage increases the acidity of exogenous water in the acetonitrile reaction solvent by favorably binding the conjugate acid of the basic catalyst. The inhibition only occurs for Fe4L6 hosts with spacious internal cavities: minimal inhibition is seen with smaller tetrahedra or Fe2L3 helicates. The surprising tendency of the cationic cage to preferentially bind protonated, cationic ammonium guests is quantified via the comprehensive modeling of spectrophotometric titration datasets.
Promoting Electrocatalytic CO2 Reduction to CO via Sulfur‐Doped Co‐N‐C Single‐Atom Catalyst†
Authors: Wei Zhiming , Liu Yuhang , Ding Jie , He Qinye , Zhang Qiao , Zhai Yueming 
Published: August 2023

Comprehensive SummaryElectrocatalytic reduction of CO2 to fuels and chemicals possesses huge potential to alleviate current environmental crisis. Heteroatom doping in metal‐nitrogen‐carbon (M‐N‐C) single‐atom catalysts (SACs) has been found to be capable to promote the electrocatalytic CO2 reduction reaction (CO2RR). However, the origin of the enhanced activity is still elusive. Here, we report that sulfur‐doped cobalt‐nitrogen‐carbon single‐atom catalyst (Co1‐SNC) exhibits superior CO2RR performance compared to sulfur‐free counterpart (Co1‐NC). On the basis of in situ attenuated total reflectance surface‐enhanced infrared absorption spectroscopy (ATR‐SEIRAS), kinetic isotope effect (KIE) and theoretical calculation, it is demonstrated that sulfur doping can promote water activation, elevate the d‐band center of Co active site, and reduce the free energy of *COOH intermediate formation. This work deepens the understanding of the CO2RR chemistry over heteroatom‐doped SACs for designing efficient CO2RR processes.
Analysis of Dynamical Peculiarities in Nanoalloys at Subsystems Level: Dynamical Degrees of Freedom, Temperature Differences, and the Chameleon Effect
Authors: Aleinikava Darya , Jellinek Julius 
Published: August 2023

AbstractA novel analysis of the dynamical behavior of nanoalloy systems, as represented by model Ni/Al 13‐atom clusters, over a broad range of energies that cover the stage‐wise transition of the systems from their solid‐like to liquid‐like state is presented. Conceptually, the analysis is rooted in partitioning the systems into judiciously chosen subsystems and characterizing the latter in terms of subsystem‐specific dynamical descriptors that include dynamical degrees of freedom, root‐mean‐square bond‐length fluctuation, and element‐specific subsystem temperature. The analysis reveals a host of intriguing new peculiarities in the dynamical behavior of the Ni/Al 13‐mers, among which are what we call the chameleon effect and the difference in the temperatures of the Ni and Al subsystems at high energies, a difference that strongly depends on the cluster composition and also changes with energy. These do not have an analog in pure Ni13 and Al13 and are explained in terms of the coupled effects of the difference between the masses of the Ni and Al atoms (the mass effect) and of the difference in the anharmonicity of the overall interaction potential as experienced by the Ni and Al subsystems of the clusters (the potential effect).
Investigating Possible Dipole‐Bound States of Cyanopolyynes: the Case for the C5N− Anion Detected in Interstellar Space
Authors: Jerosimić Stanka , Milovanović Milan , Mitić Marko , Wester Roland , Gianturco Francesco A. 
Published: August 2023

AbstractWe present results of quantum structure calculations aimed at demonstrating the possible existence of dipole‐bound states (DBS) for the anion
, a species already detected in the Interstellar medium (ISM). The positive demonstration of DBS existence using ab initio studies is an important step toward elucidating possible pathways for the formation of the more tightly bound valence bound states (VBS) in environments where free electrons from starlight ionization processes are known to be available to interact with the radical partner of the title molecule. Our current calculations show that such excited DBS states can exist in
, in agreement with what we had previously found for the smallercyanopolyyne in the series: the
anion. This system has a very weakly bound anion with binding energies of about 3 and 9 cm−1 for the
and
DBS, respectively.
CO2‐Based Carbamate Synthesis Utilizing Reusable Polymer‐Supported DBU
Authors: Mora Vargas Jorge Andrés , Burtoloso Antonio C. B. 
Published: August 2023

AbstractThe present study highlights a novel and advantageous protocol for accessing carbamates through the well‐established three‐component coupling reaction involving CO2, amines, and alkyl halides. By employing an immobilized organic base, operating under mild reaction conditions, an array of alkyl carbamates in yields of up to 95 % could be isolated. This approach offers a broad and versatile product scope, allowing for the facile modification of both the amine and alkyl halide reactants. Notably, the pioneering use of an immobilized organic base, specifically the polymer‐supported 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (PS‐DBU), in this three‐component reaction eliminates the need for classical purification steps, streamlining the process. To ensure practicality and sustainability, extensive studies were conducted to verify the recovery and reusability of the polymer‐supported DBU catalyst, which consistently maintained the high chemical yield of the carbamates across multiple cycles. Overall, this innovative protocol represents a significant advancement in carbamate synthesis, combining efficiency, generality, and the potential for DBU recycling.
Ammonia Synthesis on Ternary LaSi‐based Electrides: Tuning the Catalytic Mechanism by the Third Metal
Authors: Li Hongchen , Gong Yutong , Yang Hongliang , Yang Xiao , Li Ke , Wang Junjie , Hosono Hideo 
Published: August 2023

AbstractIntermetallic electrides have recently drawn considerable attention due to their unique electronic structure and high catalytic performance for the activation of inert chemical bonds under mild conditions. However, the relationship between electride (anionic) electron abundance and catalytic performance is undefined; the key deciding factor for the performance of intermetallic electride catalysts remains to be addressed. Here, the secret behind electride catalysts La−TM−Si (TM=Co, Fe and Mn) with the same crystal structure but different anionic electrons was studied. Unexpectedly, LaCoSi with the least anionic electrons showed the best catalytic activity. The experiments and first‐principles calculations showed that the electride anions promote the N2 dissociation which alters the rate‐determining step (RDS) for ammonia synthesis on the studied electrides. Different reaction mechanisms were found for La−TM−Si (TM=Fe, Co) and LaMnSi. A dual‐site module was revealed for LaCoSi and LaFeSi, in which transition metals were available for the N2 dissociation and La accelerates the NHx formation, respectively, breaking the Sabatier scaling relation. For LaMnSi, which is the most efficient for the N2 activation, the activity for ammonia synthesis is limited and confined by the scaling relations. The findings provide new insight into the working mechanism of intermetallic electrides.
H‐infinity loop shaping control of wireless power transfer system based on generalized state space averaging model
Authors: Tang Zheren , Xiao Wenxun , Zhang Bo , Qiu Dongyuan , Xie Fan , Chen Yanfeng 
Published: August 2023

SummaryThe transmission distance and the output load of wireless power transfer (WPT) system are particularly prone to change, which results in higher requirements for the robustness and dynamic performance of the control. In order to reduce the influence of these characteristics, an H∞ loop shaping controller based on generalized state space averaging (GSSA) method is proposed in this paper. Based on the GSSA model, an appropriate compensation function is constructed for the WPT system to the target loop transfer function. The nominal coprime factorization of WPT system is carried out, and on this basis, H∞ controller is achieved by Riccati equation to minimize the infinite norm from disturbance to error output. The designed controller meets the requirements of robust. Furthermore, the obtained high‐order controller is discretized by a reasonable discretization method, and the details and limitations of its practical application are discussed based on the hardware computational capacity. The experimental results show that the proposed controller has better robustness and dynamic performance and flexibility than the mixed sensitivity H∞ controller and the Z‐N PI controller.
Malignant mesothelioma cells with characteristic intracytoplasmic vacuolization and lipids
Authors: Morito Satoshi , Yasui Hiroshi , Itoh Tomoo , Kamoshida Shingo , Ohsaki Hiroyuki 
Published: August 2023

AbstractIn this brief report, we described some uncommon cytomorphological features of malignant mesothelioma (MM) cells in pleural effusions. The tumor cells exhibited abundant cytoplasmic vacuolization, with presence of single or multiple eccentric nuclei in several cells. In the Giemsa‐stained smear, we observed a glossy spherical material in some cells, which tested positive in Sudan III stain. In immunocytochemical analysis, tumor cells were positive for calretinin, podoplanin, epithelial membrane antigen, and methylthioadenosine phosphorylase; tumor cells were negative for BRCA1‐associated protein 1, CD68, and desmin. The intracytoplasmic vacuoles were positive for adipophilin expression.
The histologic outcomes of indeterminate thyroid nodules with rat sarcoma mutations: A case series
Authors: Jones MacKenzie , Abendano Dorbin G. , Turner Matthew , Sullivan Christopher , Reyes Maria Cecilia D. 
Published: August 2023

AbstractMolecular testing is an adjunct test for thyroid fine needle aspirations with indeterminate diagnoses, with certain mutations showing a greater risk of malignancy (ROM). Rat sarcoma (RAS) point mutations are the most common alterations in indeterminate thyroid nodules. While they can have a high ROM, they are also found in benign disease. This study describes the histologic outcomes of indeterminate nodules with RAS mutations. Bethesda III and IV thyroid nodules with ThyroSeq results showing RAS mutations (NRAS, KRAS, and HRAS) were identified between November 1, 2018 and February 28, 2023. Baseline patient characteristics, ThyroSeq results, and surgical diagnoses were collected. We identified 18 nodules with RAS mutations from 17 patients. Fourteen were NRAS (isolated NRAS in 6; NRAS with other abnormalities [NRAS+] in 8); one was isolated KRAS; and three were HRAS with other abnormalities (HRAS+). NRAS Q16R was the most common amino acid change. Twelve cases had follow‐up. Two were malignant, a minimally invasive follicular carcinoma (NRAS+) and a papillary thyroid carcinoma, follicular variant (HRAS+). Three were noninvasive follicular thyroid neoplasms with papillary‐like nuclear features (NIFTP), 2 HRAS+ and 1 NRAS+. Four were follicular adenomas, one being atypical (3 NRAS+ and one isolated NRAS). One was an oncocytic adenoma (isolated NRAS). Two were nodular hyperplasias (isolated NRAS and NRAS+, respectively). Twenty‐eight percent of our RAS‐mutated nodules were malignant or NIFTP. All three HRAS‐mutated nodules were malignant or NIFTP. The three isolated RAS mutations with follow up were benign (adenomas or nodular hyperplasia). These findings were in line with the literature.