bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vibrational spectra of dichlorobis (thiocarbohydrazide) cadmium(II) and dichlorobis(thiocarbohydrazide‐d6)cadmium(II)
Authors: Dwarakanath K. , Sathyanarayana D. N. , Volka K. 
Published: November 2023

AbstractRaman and infrared spectra of dichlorobis(thiocarbohydrazide)cadmium(II) (TCH)2CdCl2, and the infrared spectra of dichlorobis(thiocarbohydrazide‐d6) cadmium (II), (TCH‐d6) 2CdCl2 have been measured from 4000 to 30 cm−1. In order to aid the band assignments, the normal coordinate analyses have been carried out for the in‐plane vibrations of (TCH)2CdCl2 and its deuterated analog using a Urey‐Bradley force field. The vibrational spectra of the cadmium complex of thiocarbohydrazide are discussed in relation to that of free ligand.
Evolution Des Cations Alkyl‐8 Bicyclo (5,1,0) Octadiene‐2,4
Authors: Decock‐Le Reverend B. , Durand M. 
Published: November 2023

AbstractCe travail consiste en l'étude de l'évolution d'un cation cyclopropylcarbinyle particulier, le cation alkyl‐8 bicyclo (5, 1, 0) octadiène‐2,4.Les hydroxymethyl‐8, (hydroxy‐1 éthyl)‐8, et (hydroxy‐1 méthyl‐1 éthyl)‐8 bicyclo (5, 1, 0) octadiène‐2,4 ont été préparés et traités en milieu acide dilué. Dans chaque cas, il s'est produit une déshydratation et une ouverture du cyclopropane conduisant à la formation de dérivés tropilidéniques diversement substitués.
A General synthesis of N‐methylsubstituted amidines Via N‐methylnitrilium fluorosulfates.(1)
Authors: Strebelle M. , Fuks R. 
Published: November 2023

AbstractA general one‐pot synthesis of N‐methyl‐N'‐disubstituted and N‐methyl‐N',N'‐trisubstituted amidines has been worked out using N‐methylnitrilium fluorosulfates 3 as intermediate. The method involves the N‐methylation of a nitrile compound (e. g. acetonitrile or benzonitrile) with the commercially available methyl fluorosulfate (magic methyl). The crude nitrilium salt 3 is submitted without any further purification to the amination with an aliphatic and/or an aromatic primary or secondary amine. The yields range from 51 to 84 % based on the nitrile. Most of the amidines have not been described before (see table 1).
Syngas Solubility in the Liquid Phase of the Fischer‐Tropsch Synthesis
Authors: Safari Masoud , Haghighi Ali Moshfegh , Torkian Mohammad 
Published: November 2023

AbstractOne important technique of producing ultra‐clean fuel or value‐added chemicals is through Fischer‐Tropsch synthesis. The solubility of synthesis gases (H2 and CO) in the liquid phase is a significant aspect, which paves the way for evaluation of the product's distribution during the process. In this work, a complete equation has been developed that can predict the solubility of syngas in line with experimental data. The majority of average absolute deviation (AAD) of results was lower than 2.5 %. In addition, the effect of thermodynamic parameters, i.e., pressure and temperature, and the H2/CO ratio is considered in this equation by four different factors. The impact of pressure on syngas is divided into two adjustment components, denoted as n1 for CO and n2 for H2. The subsequent factor is n3, which illustrates how temperature affects the solubility of syngas. Further, the n represents the H2‐to‐CO feed ratio impacts on syngas solubility. Considering these factors and their mutual interactions allows for evaluating syngas solubility and chain growth accurately.
Nanotechnology in Advanced 2D and 3D Nanostructured Transition Metal Oxide Based Flexible Supercapacitors: A Review
Authors: Worku Yared , Palaniyandy Nithyadharseni , Srinivasu Vallabhapurapu Vijaya , Mamba Bhekie B. 
Published: November 2023

AbstractFlexible supercapacitors (FSCs) can be power sources for the next generation of flexible and wearable electronic devices. Recent breakthroughs in nanotechnology have opened new opportunities in the energy industry to improve the performance of FSCs by providing high energy density, high power density, and excellent flexibility. Due to their higher surface area, larger contact area between electrode and electrolyte, and shorter ion‐diffusion pathways, low‐dimensional materials with a wide variety of morphologies play a key role in improving the performance of FSCs. Especially nanostructured transition metal oxides (TMOs) are of great interest for the application of SCs due to their superior specific capacitance, high energy density, high redox reversibility, easy availability, and environmental safety. However, the low electrical conductivity, low power density, poor cycle stability, and rigid properties of TMOs have limited their wide applications for FSCs. Therefore, the fabrication of nanostructured TMO‐based composites with conducting carbon, polymers, and other materials with large surface areas, pore and layer structures, etc., improves the electrical and mechanical properties. This review provides a brief overview of the current developments in 2D and 3D TMO‐based nanomaterials and their preparation techniques, design, structure, and fundamental understanding of nanoscale capacitive behavior for advanced flexible energy storage applications.
Chiral and Achiral Crystal Structures of Au25(PET)180 Reveal Effects of Ligand Rotational Isomerization on Optoelectronic Properties
Authors: Kuda‐Singappulige Gowri Udayangani , Window Phillip S. , Hosier Christopher A. , Anderson Ian D. , Aikens Christine M. , Ackerson Christopher J. 
Published: November 2023

AbstractThe crystal structures of 4 ligand‐rotational isomers of Au25(PET)18 are presented. Two new ligand‐rotational isomers are revealed, and two higher‐quality structures (allowing complete solution of the ligand shell) of previously solved Au25(PET)18 clusters are also presented. One of the structures lacks an inversion center, making it the first chiral Au25(SR)18 structure solved. These structures combined with previously published Au25(SR)18 structures enable an analysis of the empirical ligand conformation landscape for Au25(SR)18 clusters. This analysis shows that the dihedral angles within the PET ligand are restricted to certain observable values, and also that the dihedral angle values are interdependent, in a manner reminiscent of biomolecule dihedral angles such as those in proteins and DNA. The influence of ligand conformational isomerism on optical and electronic properties was calculated, revealing that the ligand conformations affect the nanocluster absorption spectrum, which potentially provides a way to distinguish between isomers at low temperature.
A Cyclotriveratrylene Solvent‐Dependent Chiral Switch
Authors: Miton Louise , Antonetti Élise , García‐López Diego , Nava Paola , Robert Vincent , Albalat Muriel , Vanthuyne Nicolas , Martinez Alexandre , Cotelle Yoann 
Published: November 2023

AbstractChiral molecular switches are attracting attention as they could pave the way to chiral molecular machines. Herein, we report on the design and synthesis of a single molecule chiral switch based on a cyclotriveratrylene scaffold, in which the chirality inversion is controlled by the solvent. Hemicryptophanes are built around a C3 cyclotriveratrylene chiral unit, with either M or P handedness, connected to another tripod and usually displaying an “out” configuration. Here, we demonstrate that solvents are able to control the “in” and “out” configurations of the CTV unit, creating a chiral molecular switch from (M/P)”in” to (P/M)”out” handedness. The full characterization of the “in” and “out” configurations and of the chirality switch were made possible by combining NMR, HPLC, ECD, DFT and molecular dynamics. Interestingly, bulky aromatic solvents such as 2‐t‐butylphenol favor the “in” configuration while polar aprotic solvents such as acetone favor the “out” configuration. This chiral switch was found to be fully reversible allowing the system to oscillate between two different M and P configurations several times upon the action of solvents stimuli.
Robust Spin Liquidity in 2D Metal‐Organic Framework Cu3 (HHTP)2 with S=1/2 Kagome Lattice
Authors: Ninawe Pranay , Jain Anil , Sangole Mayur , Anas Mohd , Ugale Ajay , Malik Vivek K. , Yusuf Seikh M. , Singh Kirandeep , Ballav Nirmalya 
Published: November 2023

AbstractOn one hand electron or hole doping of quantum spin liquid (QSL) may unlock high‐temperature superconductivity and on the other hand it can disrupt the spin liquidity, giving rise to a magnetically ordered ground state. Recently, a 2D MOF, Cu3(HHTP)2 (HHTP ‐ 2,3,6,7,10,11‐hexahydroxytriphenylene), containing Cu(II) S=
frustrated spins in the Kagome lattice is emerging as a promising QSL candidate. Herein, we present an elegant in situ redox‐chemistry strategy of anchoring Cu3(HHTP)2 crystallites onto diamagnetic reduced graphene oxide (rGO) sheets, resulting in the formation of electron‐doped Cu3(HHTP)2‐rGO composite which exhibited a characteristic semiconducting behavior (5 K to 300 K) with high electrical conductivity of 70 S ⋅ m−1 and a carrier density of ~1.1×1018 cm−3 at 300 K. Remarkably, no magnetic transition in the Cu3(HHTP)2‐rGO composite was observed down to 1.5 K endorsing the robust spin liquidity of the 2D MOF Cu3(HHTP)2. Specific heat capacity measurements led to the estimation of the residual entropy values of 28 % and 34 % of the theoretically expected value for the pristine Cu3(HHTP)2 and Cu3(HHTP)2‐rGO composite, establishing the presence of strong quantum fluctuations down to 1.5 K (two times smaller than the value of the exchange interaction J).
A bio‐based polymer: synthesis of PLA and analysis of polymerization for school students
Authors: Pawlak Felix , Schwarzer Stefan 
Published: November 2023

AbstractKunststoffe sind sowohl aus unserem Alltag als auch aus den Curricula des Chemieunterrichts nicht mehr wegzudenken. Die Synthese von Polykondensaten, die sich mit industriellen Produkten vergleichen lassen, gestaltet sich im Chemieunterricht jedoch schwierig. Auch sollte den Schüler:innen ein experimenteller Zugang angeboten werden, der gleichzeitig das Verständnis für den Ablauf der chemischen Reaktion bei der Synthese fördert. Hierzu wurde ein Schülerexperiment entwickelt, bei dem die biobasierte und biologisch‐abbaubare Polymilchsäure synthetisiert wird. Gleichzeitig wird den Schüler:innen die Möglichkeit zur begleitenden Analyse der Polykondensation geboten. Dazu untersuchen die Schüler:innen unter anderem die Abnahme des Edukts und die Entstehung der Produkte.Neben den Analysen im Schülerexperiment wurde das Reaktionsprodukt mittels Schmelzbereichsbestimmung und ATR‐IR‐Spektroskopie untersucht, um qualitative Aussagen über die Entstehung von Polymilchsäure treffen zu können.
Epidemiology and treatment of children with hereditary angioedema in Germany: A retrospective database study
Authors: Prenzel Freerk , Abraham Susanne , Hirche Christoph , Müller Gerrit , Kaiser Stephan , Serdani‐Neuhaus Leonarda , Zingel Rebecca , Martinez‐Saguer Inmaculada 
Published: November 2023

AbstractBackgroundHereditary angioedema (HAE) is a potentially life‐threatening inherited disease that causes recurrent, serious, and debilitating episodes of swelling. While evidence has improved in adult patients, data on the epidemiology and treatment of pediatric patients with HAE remain very limited. The aim of this study was to determine the incidence and prevalence of pediatric patients with HAE aged <12 years, as well as treatment patterns, co‐medication, and specialties involved.MethodsIn this retrospective study (2016–2021), the German IQVIATM pharmacy claims (LRx) database was used to analyze prescriptions of HAE‐specific treatments and co‐medications.ResultsWe found an HAE prevalence in pediatric patients aged <12 years of 2.51:100,000 and a 12‐month prevalence of up to 1.02:100,000 between 2016 and 2021. Most HAE treatments were prescribed by outpatient clinics and pediatricians, with an increasing proportion of icatibant as an on‐demand treatment and low rates of long‐term prophylaxis (LTP). The prescription rate of analgesics as the most common co‐medication decreased notably after HAE diagnosis.ConclusionOur findings provide insights into the epidemiology and current pediatric HAE treatment landscape in Germany. The obtained HAE prevalence in pediatric patients aged <12 years was even higher than the previously reported average of overall cohorts, whereas the LTP rate was low, which might indicate an unmet need for newer LTP treatment options in pediatric patients.
Effect of primary peak wavelength and stimulus size on metameric failure through color difference evaluations
Authors: Huang Min , Gao Xinyuan , Wei Minchen , Wang Yu , Li Yu , Li Xiu 
Published: November 2023

AbstractTristimulus values and chromaticities, which are derived using the color matching functions (CMFs), are commonly used for color characterization, calibration, and specifications, with the stimuli having the same values believed to have the same color appearance (i.e., metameric match). Many studies, however, found that the stimuli having the same tristimulus values do not appear the same (known as metameric failure) due to the failure of CMFs in accurately characterizing the color matching mechanisms. Most past work investigated the performance of different CMFs through color matching experiments, with a smaller chromaticity or calculated color difference between the reference and test stimuli suggesting a better performance. Such differences, however, may not accurately characterize the performance of the CMFs, since the color spaces or chromaticity diagrams may not be uniform, in terms of the threshold of noticeable color difference. In this study, the human observers evaluated the perceived color difference between pairs of stimuli, which were calibrated to have the same tristimulus values calculated using the CIE 1931 2° CMFs, with two sizes of field of view (FOV). The results clearly suggested that the stimuli having the same tristimulus values may not always appear the same, which depended on the primaries and the FOV. More importantly, the results clearly suggested that the chromaticity differences from color matching experiments may overestimate the metameric failure, especially when the color differences were small.
The psychosocial stressors of siblings of people with experiences of psychosis (SOPEP): A systematic narrative review across cultures
Authors: Izon Emma , Radez Jerica , Knight Matthew T. D. 
Published: November 2023

AbstractObjectivesThis study aimed to synthesise the psychosocial stressors of siblings of people with experiences of psychosis (SOPEP). Understanding the specific needs of siblings across diverse cultures would help mental health services to provide culturally specific psychosocial family and sibling‐centred support. This may result in improved relationships between families, better psychosocial well‐being for siblings and better outcomes for patients.MethodsFollowing PRISMA guidelines, a systematic review was conducted to explore the psychosocial stressors of SOPEP. Six databases were utilised to identify literature using qualitative methodology.ResultsTwenty‐two studies were included that investigated the Psychosocial Stressors of SOPEP. SOPEP's experiences were influenced by various stages: individual factors, social factors, physical and macro‐level environments. Six key components contributed to SOPEP's psychosocial stressors and facilitated or hindered their intentions, behaviours and experiences of caregiving. These were the SOPEP's beliefs about psychosis, caregiving beliefs, family and cultural values, personality traits, pragmatic challenges and access to resources.ConclusionsGlobally, SOPEP and families may benefit from their involvement in family interventions and individual support that facilitates caregiving and acknowledges their responsibilities, resources, psychosocial needs and emotional experiences.
Performance evaluation of L‐maximal ratio combining diversity with estimation error for Shadowed Beaulieu‐Xie fading channels
Authors: Hawaibam Sisira , Singh Aheibam Dinamani 
Published: November 2023

SummaryTo provide the increasing demand for wireless technologies, high capacity with lower latency is vital. New emerging technologies like 5G, millimeter wave, THz, and so forth are able to characterize such complex fading and shadowed environments. Spatial diversity is one of the techniques to minimize fading in the wireless communication channel. The performance of the wireless communication system can be further optimized by using estimators at the receivers. The influence of imperfect channel estimation on the performance over shadowed Beaulieu‐Xie (SBX) fading channels with L‐maximal ratio combining (MRC) diversity is studied. The probability density function (PDF) of the received output signal‐to‐noise ratio (SNR) with L‐MRC over SBX fading channels is derived. Further PDF of the received output SNR, outage probability, and average bit error rate (ABER) using the derived PDF is evaluated for L‐MRC diversity with channel estimation error over SBX fading channels. ABER expression for Gray‐coded rectangular quadrature amplitude modulation over the SBX channel is also evaluated. The study also includes how the system performs under the effect of different shadowing and fading parameters.
Industrial athletes, relative energy deficit in occupation, and equitable eating disorder treatment and recovery
Authors: Barker Jessica L. , Stults‐Kolehmainen Matthew , Tierney Amanda , Peterson Carol B. 
Published: November 2023

AbstractObjectiveThis paper highlights the gap in understanding and meeting the needs of individuals with eating disorders (EDs) who are engaged in manual labor and proposes a novel solution for meeting those needs.MethodsIn this paper, we describe the rationale, considerations, and opportunities for research and practice that can be adapted and created to meet the needs of individuals with EDs who are engaged in manual labor, a group that may be underserved by current methods for treating EDs. We highlight the potential utility of the industrial athlete (IA) framework for this population, propose the term Relative Energy Deficit in Occupation (“RED‐O”), and describe the potential applications of this framework and term for research, treatment, and public health promotion for EDs among individuals engaged in manual labor.ResultsThe IA framework and RED‐O provide opportunities to address the unique needs of individuals with EDs who are also engaged in manual labor and who are disproportionately of low socioeconomic status through new and adapted research and clinical applications as well as advocacy and public health promotion.DiscussionEquitable recovery for people with EDs requires the ability to engage in activities necessary for occupational functioning, including the physical capacity necessary to participate fully in their work. As access to treatment increases, it is imperative that the needs of IAs are adequately addressed, especially those who are of lower socioeconomic status.Public SignificanceThe industrial athlete and relative energy deficit in occupation (RED‐O) frameworks will enhance opportunities for identification and treatment of underserved and disadvantaged populations with eating disorders and reduce public health burden of eating disorders.
Association of neighbourhood‐level material deprivation with adverse outcomes and processes of care among patients with heart failure in a single‐payer healthcare system: A population‐based cohort study
Authors: Bobrowski David , Dorovenis Andrew , Abdel‐Qadir Husam , McNaughton Candace D. , Alonzo Rea , Fang Jiming , Austin Peter C. , Udell Jacob A. , Jackevicius Cynthia A. , Alter David A. , Atzema Clare L. , Bhatia R. Sacha , Booth Gillian L. , Ha Andrew C.T. , Johnston Sharon , Dhalla Irfan , Kapral Moira K. , Krumholz Harlan M. , Roifman Idan , Wijeysundera Harindra C. , Ko Dennis T. , Tu Karen , Ross Heather J. , Schull Michael J. , Lee Douglas S. 
Published: November 2023

AbstractAimWe studied the association between neighbourhood material deprivation, a metric estimating inability to attain basic material needs, with outcomes and processes of care among incident heart failure patients in a universal healthcare system.Methods and resultsIn a population‐based retrospective study (2007–2019), we examined the association of material deprivation with 1‐year all‐cause mortality, cause‐specific hospitalization, and 90‐day processes of care. Using cause‐specific hazards regression, we quantified the relative rate of events after multiple covariate adjustment, stratifying by age ≤65 or ≥66 years. Among 395 763 patients (median age 76 [interquartile range 66–84] years, 47% women), there was significant interaction between age and deprivation quintile for mortality/hospitalization outcomes (p ≤ 0.001). Younger residents (age ≤65 years) of the most versus least deprived neighbourhoods had higher hazards of all‐cause death (hazard ratio [HR] 1.19, 95% confidence interval [CI] 1.10–1.29]) and cardiovascular hospitalization (HR 1.29 [95% CI 1.19–1.39]). Older individuals (≥66 years) in the most deprived neighbourhoods had significantly higher hazard of death (HR 1.11 [95% CI 1.08–1.14]) and cardiovascular hospitalization (HR 1.13 [95% CI 1.09–1.18]) compared to the least deprived. The magnitude of the association between deprivation and outcomes was amplified in the younger compared to the older age group. More deprived individuals in both age groups had a lower hazard of cardiology visits and advanced cardiac imaging (all p < 0.001), while the most deprived of younger ages were less likely to undergo implantable cardioverter‐defibrillator/cardiac resynchronization therapy‐pacemaker implantation (p = 0.023), compared to the least deprived.ConclusionPatients with newly‐diagnosed heart failure residing in the most deprived neighbourhoods had worse outcomes and reduced access to care than those less deprived.
Tailoring the Hybridization Density of DNA Biosensors through Tunable Surface Functionalization
Authors: Robin Perrine , Mayoraz Lucas , Skigin Pauline , Mensi Mounir , Gerber‐Lemaire Sandrine 
Published: November 2023

AbstractDNA biosensors are promising candidates for the development of point‐of‐care diagnosis methods. They can be inserted in microfluidic platforms, are often non‐expensive, and can be produced for a variety of targeted analytes. However, their development faces several challenges, some of which arise from their surface design. Among the characteristics which affect the binding efficiency of DNA probes to their targeted genes, the packing density and lateral spacing of the probe sequences must be controlled to provide enough binding sites and avoid crowding effect. It has also been demonstrated that increasing the space between the probe and the substrate can enhance the sensitivity of the sensing surface. Herein, we describe a methodology to control the vertical distance between DNA probes and a glass support, and lateral spacing between the probes. Such functionalization strategy could help the development of sensing surface with high hybridization density, and therefore high sensitivity.
Keap It in the Family: How to Fish out New Paradigms in Keap1‐Mediated Cell Signaling
Authors: Long Marcus J. C. , Huang Kuan‐Ting , Aye Yimon 
Published: November 2023

AbstractKeap1 is associated with cytoprotective signaling. These roles of Keap1 typically focus on its role as a degrader of the antioxidant response (AR) transcription factor, Nrf2, and the inhibition of this process upon Keap1 labeling by electrophiles. However, work from several laboratories has reemphasized both the important role of Nrf2 binding in negatively regulating AR, and the fact that electrophile Keap1 modification dissociates Nrf2 from Keap1. This model appears to be applicable to other signaling modes regulated by Keap1. Here, we use recent data we have derived using experiments in zebrafish and cultured cells to discuss different models of Keap1 regulation.