bluuebunny/crossref_metadata_2025_split huggingface dataset:
The importance of gynecological examination in adolescent girls and adult women with Prader–Willi syndrome
Authors: Srebnik Naama , Kalifa Tal Margaliot , Hirsch Harry J. , Benarroch Fortu , Eldar‐Geva Talia , Gross‐Tsur Varda 
Published: July 2023

AbstractCurrent published guidelines for routine care of women with Prader–Willi syndrome (PWS) do not include recommendations for gynecologic examinations. We describe our experience with gynecological examinations in women with PWS and offer recommendations for routine health care for these patients. Data were collected on all 41 PWS females ages ≥12 year, followed in our national Israeli multidisciplinary clinic between the years 2011 and 2022. Menstrual data and findings on external gynecological examination, including evaluation of the vulva and hymen were recorded at yearly visits. During the gynecological evaluation the topic of sexual education was discussed. Pelvic ultrasound, specifically for antral follicular count, was performed for those visiting the clinic during 2020–2022. Blood samples for luteinizing hormone (LH), follicular stimulating hormone (FSH), and estradiol were obtained routinely and DEXA scans for bone density were done when indicated. Of the 41 women, (median age at start of follow‐up 17 years, range [12.3–39], BMI 30.4 kg/m2 [IQR 23.5–37.1]), 39 women agreed to external gynecological examination. Eleven women (27%) had spontaneous menses, with menarche at the age of 14 to as late as 31 years. The hymen was intact in all except one. Poor hygiene was observed in eight women, three women with vulvovaginitis, and five with irritated vulva related to poor hygiene. Gynecological ultrasound was performed in 27 women. In 22, endometrial thickness was less than 5 mm. The median antral follicular count (AFC) was 6 (<10th percentile for age). No correlation between AFC and menstruation or BMI was found. Mean FSH level was 5.7 ± 3.6 IU, LH was 2.29 ± 2.23, and estradiol was 128 ± 76 pmol/L. Data on DEXA measurements were available in 25 women aged 16–39. Median spine T score was −1.3 (range between 0.5 and −3.7), and hip T score was −1.2 (range between 0.8 and −3.3). A negative correlation was found between endometrial thickness and the presence of osteopenia or osteoporosis (r = −0.5, p = 0.013). Despite our recommendations, only eight of 14 women agreed to hormonal treatment or contraception. One woman who received treatment had a thromboembolic event. Routine health care for women with PWS should include gynecological examinations. The gynecological evaluation should include external genital examination, assessment of hygiene, obtaining a blood sample for hormone levels, and documenting a history of sexual experience or sexual abuse. Hormonal treatment or contraception should be offered when appropriate.
A decade on: The achievements and challenges of the National Disability Insurance Scheme's implementation
Authors: Dickinson Helen , Yates Sophie 
Published: July 2023

AbstractThe National Disability Scheme began implementation in 2013 and in this article we reflect on its first decade. We explore why the National Disability Scheme was introduced and key design elements of the scheme before examining significant areas of debates that have emerged over this period, namely: co‐design of the scheme with people with disability; scheme costs; Tier 2 services; administrative burden and its unequal impact on different groups of participants; and market stewardship. We argue that many people accessing the NDIS have seen their lives transformed in a positive sense, but this is not the case for all and there remain some significant challenges with the scheme. The paper concludes by looking ahead and thinking about what might happen next for the NDIS to realise its full potential for all participants.
Cross‐Polarization Schemes for Improved Heteronuclear Transfers Involving Labile Protons in Biomolecular Solution NMR
Authors: Kim Jihyun , Grün J. Tassilo , Novakovic Mihajlo , Kupce Eriks , Rosenzweig Rina , Frydman Lucio 
Published: July 2023

AbstractINEPT‐based experiments are widely used for 1H→15N transfers, but often fail when involving labile protons due to solvent exchanges. J‐based cross polarization (CP) strategies offer a more efficient alternative to perform such transfers, particularly when leveraging the Hwater
HN exchange process to boost the 1H→15N transfer process. This leveraging, however, demands the simultaneous spin‐locking of both Hwater and HN protons by a strong 1H RF field, while fulfilling the γHB1,H=γNB1,N Hartmann‐Hahn matching condition. Given the low value of γN/γH, however, these demands are often incompatible—particularly when experiments are executed by the power‐limited cryogenic probes used in contemporary high field NMR. The present manuscript discusses CP alternatives that can alleviate this limitation, and evaluates their performance on urea, amino acids, and intrinsically disordered proteins. These alternatives include new CP variants based on frequency‐swept and phase‐modulated pulses, designed to simultaneously fulfill the aforementioned conflicting conditions. Their performances vis‐à‐vis current options are theoretically analyzed with Liouville‐space simulations, and experimentally tested with double and triple resonance transfer experiments.
Single‐Nitrogen Atom Incorporation into B=B Bond via the N=N Bond Splitting of Diazo Compound and Diazirine
Authors: Zhu Lizhao , Kinjo Rei 
Published: July 2023

AbstractTriboraazabutenyne 3 is synthesized by the reaction of diboraazabutenyne 1 with aryl boron dibromide followed by the reduction. The ligand exchange to replace phosphine on the terminal sp2 B atom with carbene furnishes 4. 11B NMR, solid‐state structures, and computational studies disclose that 3 and 4 feature the extremely polarized B=B bond. 4 readily splits the N=N bond of both diazo compound and diazirine under ambient conditions, whereby one nitrogen atom is incorporated into the B=B moiety leading to a neutral diboraazaallene 6. The mechanism of the reaction between 4 and diazo compound is extensively investigated by density functional theory (DFT) calculations, as well as the isolation of an intermediate.
Design and Application of Peptide‐Mimic Phosphonium Salt Catalysts in Asymmetric Synthesis
Authors: Fang Siqiang , Liu Zanjiao , Wang Tianli 
Published: July 2023

AbstractChiral phosphonium salt catalysis, traditionally classified as a type of phase transfer catalysis, has proven to be a powerful strategy for the stereoselective preparation of diverse optically active molecules. However, there still remain numerous forbidding issues of reactivity and selectivity in such well‐known organocatalysis system. Accordingly, the development of new and high‐performance phosphonium salt catalysts with unique chiral backbones is highly desirable, yet challenging. This Minireview describes the prominent endeavours in the development of a new family of chiral peptide‐mimic phosphonium salt catalysts with multiple hydrogen‐bonding donors and their applications in a plethora of enantioselective synthesis during the past few years. Hopefully, this minireview will pave a way for further developing much more efficient and privileged chiral ligands/catalysts featuring exclusively catalytic ability in asymmetric synthesis.
A Redox‐Responsive Ferrocene‐Based Capsule Displaying Unusual Encapsulation‐Induced Charge‐Transfer Interactions
Authors: Toyama Kazuki , Tanaka Yuya , Yoshizawa Michito 
Published: July 2023

AbstractA ferrocene‐based capsule is spontaneously and quantitatively formed in water by the assembly of bent amphiphiles carrying two ferrocene units. The disassembly and assembly of the new organometallic capsule, with a well‐defined and highly condensed ferrocene core, are demonstrated by chemical redox stimuli in a fully reversible fashion under ambient conditions. In contrast to previously reported multiferrocene assemblies, only the present capsule efficiently encapsulates typical organic/inorganic dyes as well as electron‐accepting molecules in water. As a result, unusual host‐guest charge‐transfer (CT) interactions, displaying relatively wide absorption bands in the visible to near‐infrared region (λ=650–1350 nm), are observed upon the encapsulation of acceptors (i.e., chloranil and TCNQ). The resultant encapsulation‐induced CT interactions can be released by a redox stimulus through the disassembly of the capsule.
Optimization of nanofiber‐caproate/laurate esters synthesis, their characterization, and usage as emulsifier in o/w emulsion
Authors: Erinç Özlem , Erinç Hakan , Mert Behiç , Özbey Ayşe 
Published: July 2023

AbstractThe aim of this study is to optimize the esterification of nanofibers with caproyl/lauroyl chlorides at different substitution degrees' (DS) and to investigate the usage of nanofiber derivatives in model emulsions. First, cellulosic material was obtained and milled into nanofibers using a micro‐fluidizer. Then, these nanofibers were esterified with caproyl/lauroyl chlorides in a solvent of DMAc/LiCl with DMAP as an acid scavenger. The esterification of nanofibers with caproyl/lauroyl chlorides was optimized for fatty acid chloride mole and reaction time. Esterification reactions were carried out at 80°C with various molar ratios of acyl chlorides (3–15 moles) versus anhydroglucose unit of nanofibers and for various time durations (30–360 min). The hydrophobic derivatives with DS in the range of 0.34–2.77 were successfully obtained. Using the data obtained as a result of the optimization, nanofiber‐fatty acid esters with different DS (0.50–2.75) were produced and characterized. Analyzes showed that the esterification process was successful and as the degree of esterification increased, the crystallinity index and thermal stability of the derivatives decreased. Then, the nanofiber‐caproate/laurate esters with different DS were used as emulsifier (0.5 wt%) in an oil‐in‐water model emulsion containing 25 wt% oil and the emulsions were analyzed. The nanofiber caproate/laurate esters with a DS of 0.50–1.25 were suitable for o/w emulsions, while samples with a DS of 2.00 and above were not found suitable. Emulsions prepared by using nanofiber derivatives with 1.25 DS had higher G′ and G″ and viscosity values and lower droplet sizes than those of other group.
Preparation of polyborosiloxanes with systematically changed mechanical properties and correlation of their structure/property relationship
Authors: Xing Tao , Chen Kequan , Wang Yiran , Wu Zongze , Xu Yangguang , Xu Yong 
Published: July 2023

AbstractPolyborosiloxanes (PBSs) are an important class of polymer as they serve as the platform for developing dynamic networks with versatile viscoelastic properties. However, an effective and systematic way to tuning the properties of these polymers is still lacking. Here in this work, we report a new method to preparing PBSs with versatile properties. By increasing the degree of polymerization of boronic acid end‐functionalized polydimethylsiloxane, a series of well‐defined PBSs with different mechanical properties were obtained. Various instruments such as Fourier transform infrared (FT‐IR) spectrometer, nuclear magnetic resonance (NMR) spectrometer and rheometer have been used to characterize the obtained products. By looking into the results we found rheological behaviors of these samples were closely related to their specific microstructures, shear stiffening of these polymers were directly related to the dynamics of hydrogen bonds rather than dative BO bonds. These new findings provide important insights for the development of PBSs with desired properties.
Form‐stable phase change materials supported by nanostructured zinc polyacrylate weakening super cooling of polyethylene glycol
Authors: Shen Xinyi , Luo Dan , Li Na , Wu Sha , Lei Jingxin , Wang Yuechuan , Xiao Yao , He Ping 
Published: July 2023

AbstractIn order to solve the leakage and distinct super cooling issues of polyethylene glycol (PEG), zinc polyacrylate was used as the supporting material to prepare PEG‐based form‐stable phase change materials (FSPCMs) in this paper. The polyacrylate fractions of zinc polyacrylate are crosslinked by zinc ions through electrovalent bonding. Due to the strong intermolecular force between PEG molecules and the crosslinked polyacrylate fractions, the PCMs have stabilized shape even at 90°C. Zinc ions will gather together because of the incompatibility between PEG matrix and zinc ions, to form nanostructure as the nucleating agent of PEG, weakening the supercooling of the FSPCMs. The enthalpy change values of the FSPCMs in the phase transition processes are all above 120.0 J g−1, showing good thermal energy storage capacity. Additionally, the FSPCMs after 100 times of thermal cycling possess similar thermal properties to the original ones, indicating that the nanostructured zinc polyacrylate has stable interaction with the PEG matrix.
Change and challenge: An online course in Medical Biochemistry and Molecular Biology
Authors: Zhong Dan , Liu Yang‐Wuyue , Huang Gang , Xu Zhizhen , Zhao Yuanyin , He Wenhui , Sun Jianbin , He Fengtian , Chen Shan , Dai Shuang‐Shuang 
Published: July 2023

AbstractThe development of information technology and portable devices has sparked a revolution in the field of education, facilitating access to diverse educational resources and lifelong learning. In particular, the COVID‐19 pandemic has accelerated the transition from face‐to‐face to distance teaching, which requires online education to be provided worldwide. Biochemistry and Molecular Biology are key basic medical courses in laboratory‐based science that cover complicated theories and applications. The balance between traditional and online courses, and the effectiveness of online courses, are fundamental to the teaching quality of Biochemistry and Molecular Biology. In this study, we explored the concepts, designs, and practices of a new blended online course and identified potential challenges. We hope that our experiences will provide new ideas for online teaching and promote teaching reform and the development of Medical Biochemistry and Molecular Biology education.
Large‐scale pathogenicity prediction analysis of cancer‐associated kinase mutations reveals variability in sensitivity and specificity of computational methods
Authors: Akula Sravani , Mullaguri Sai Charitha , Melton Niklas Max , Katta Archana , Naga Venkata Sai Giridhar Reddy , Kandula Shyamson , Pedada Raj Kumar , Subramanian Janakiraman , Kancha Rama Krishna 
Published: July 2023

AbstractBackgroundMutations in kinases are the most frequent genetic alterations in cancer; however, experimental evidence establishing their cancerous nature is available only for a small fraction of these mutants.AimsPredicition analysis of kinome mutations is the primary aim of this study. Further objective is to compare the performance of various softwares in pathogenicity prediction of kinase mutations.Materials and methodsWe employed a set of computational tools to predict the pathogenicity of over forty‐two thousand mutations and deposited the kinase‐wise data in Mendeley database (Estimated Pathogenicity of Kinase Mutants [EPKiMu]).ResultsMutations are more likely to be drivers when being present in the kinase domain (vs. non‐kinase domain) and belonging to hotspot residues (vs. non‐hotspot residues). We identified that, while predictive tools have low specificity in general, PolyPhen‐2 had the best accuracy. Further efforts to combine all four tools by consensus, voting, or other simple methods did not significantly improve accuracy.DiscussionThe study provides a large dataset of kinase mutations along with their predicted pathogenicity that can be used as a training set for future studies. Furthermore, a comparative sensitivity and selectivity of commonly used computational tools is presented.ConclusionPrimary‐structure‐based in silico tools identified more cancerous/deleterious mutations in the kinase domains and at the hot spot residues while having higher sensitivity than specificity in detecting deleterious mutations.
Comparison of Immobilized and Free Amyloglucosidase Process in Glucose SyrupsProduction from White Sorghum Starch
Authors: Taibi Houria , Boudries Nadia , Abdelhai Moufida , Lounici Hakim 
Published: July 2023

AbstractOptimum conditions for glucose syrups production from white sorghum were studied through sequential liquefaction and saccharification processes. In the liquefaction process, a maximum dextrose equivalent (DE) of 10.98 % was achieved using 30 % (w/v) of starch and Termamyl ɑ‐amylase from Bacillus licheniformis. Saccharification was performed by free and immobilized amyloglucosidase from Rhizopus mold at 1 % (w/v). DE values of 88.32 % and 79.95 % were obtained from 30 % (w/v) of starch with, respectively, free and immobilized enzyme. The immobilized Amyloglucosidase in calcium alginate beads showed reusable capacity for up to 6 cycles with 46 % of the original activity retained. The kinetic behaviour of immobilized and free enzyme gives Km value of 22.13 and 16.55 mg mL−1 and Vmax of 0.69 and 1.61 mg mL−1 min−1, respectively. The hydrolysis yield using immobilized amyloglucosidase were lower than that of the free one. However, it is relevant to reuse enzyme without losing activity in order to trim down the overall costs of enzymatic bioprocesses as starch transformation into required products in industrial manufacturing. Hydrolysis of sorghum starch using immobilized amyloglucosidase represents a promising alternative towards the development of the glucose syrups production process and its utilization in various industries.
Langerhans cell histiocytosis in a pediatric patient: A typical presentation with oral manifestations
Authors: Shakya Royasa , Koirala Bandana , Dongol Ashok , Maharjan Iccha Kumar , Keshwar Shashi , Jain Neetu , Shrestha Ashish 
Published: July 2023

Key Clinical MessageLangerhans cell histiocytosis (LCH) is a rare hematological disorder characterized by abnormal proliferation of Langerhans cells. Head and neck region is commonly involved with oral manifestations appearing first in many instances. A thorough knowledge of the disorder and an interdisciplinary approach warrant for the better outcome of the condition.
Endogenous listeria monocytogenes endophthalmitis in a cirrhotic patient
Authors: Song Huping , Zhou Yunyun , Chen Tao , Wang Jingbo 
Published: July 2023

AbstractEndogenous endophthalmitis caused by listeria monocytogenes is rare and serious, which is easily misdiagnosed initially. We present one case of endogenous endophthalmitis due to listeria monocytogenes in a cirrhotic patient, whose diagnosis was delayed 17 days after admission.
Data‐driven Design of Enhanced In‐based Catalyst for CO2 to Methanol Reaction
Authors: Khatamirad Mohammad , Fako Edvin , De Sandip , Müller Matthias , Boscagli Chiara , Baumgarten Robert , Ingale Piyush , d'Alnoncourt Raoul Naumann , Rosowski Frank , Schunk Stephan Andreas 
Published: July 2023

AbstractThe environmental impact of unsustainable CO2 emissions calls for immediate action. One of the main methods for large‐scale reduction of CO2 emissions is conversion of carbon dioxide to valuable feedstocks like energy carriers or chemicals. Realization of this goal requires catalysts showing high‐performance characteristics under the relevant industrial conditions. In recent years, In2O3‐based catalysts have been discussed as target materials for conversion of CO2 to methanol in the presence of hydrogen. Optimization of this catalytic system via conventional routes requires massive resources in terms of extensive testing, synthesis, and characterization. In our study, we take an alternative approach and exploit high‐throughput computation to create a database for oxygen vacancy formation energy and explore a large number of candidates, which motivates the selection of a subset of materials for the synthesis of bulk and supported catalysts, to be tested in hydrogenation of CO2 to methanol. The method shows the impact, as results show improved performance for selected candidates, compared to the reference In2O3‐system. This confirms the potential of the selected descriptors as criteria for a new way of targeted design of alternative catalysts.
Hydrocracking of Model Substances on Pt/H‐ZSM‐5 under an Imitated Fischer‐Tropsch Product Gas Composition
Authors: Oppmann Nicolas , Jess Andreas 
Published: July 2023

AbstractCombining Fischer‐Tropsch synthesis (FTS) and subsequent cracking of unwanted long‐chain primary FT products in a tandem process is a successful procedure to improve the selectivity towards liquefied petroleum gas (LPG). To simplify the process, both reactions are carried out consecutively without prior product separation after FTS. In this work, the gas composition after FTS is imitated and, thus, the influence of unreacted CO and the by‐product water on the hydrocracking of n‐hexadecane as model substance is investigated. Furthermore, the reaction of alcohols and LPG components on a bifunctional Pt/H‐ZSM‐5 zeolite was examined as they are typically found in FT products. The cracking is affected negatively by the presence of CO, which is why a product separation upstream of hydrocracking after FTS can be considered as useful.
Transition Metal‐Free N−S Bond Cleavage and C−N Bond Activation of Ugi‐Adducts for Rapid Preparation of Primary Amides and α‐Ketoamides
Authors: Liu Chao , Van der Eycken Johan , Van der Eycken Erik V. 
Published: July 2023

AbstractA novel method of transition metal‐free N−S bond cleavage and subsequent C−N bond activation of Ugi‐adducts was developed. Diverse primary amides and α‐ketoamides were prepared in a rapid, step‐economical and highly efficient manner in two steps. This strategy features excellent chemoselectivity, high yield and functional‐group tolerance. Primary amides derived from the pharmaceuticals probenecid and febuxostat were prepared. This method opens a new pathway for the simultaneous synthesis of primary amides and α‐ketoamides in an environmentally friendly manner.
Tetra‐Face‐Capped Octahedra in a Tetrahedra Network – Structure Determination and Scanning Transmission Electron Microscopy of SrAl5P4N10O2F3
Authors: Pointner Monika M. , Oeckler Oliver , Schnick Wolfgang 
Published: July 2023

AbstractTetrahedra‐based nitridophosphates show a rich structural chemistry, which can be further extended by incorporating cations in higher coordinated positions, for example, in octahedral voids or by substituting the nitrogen atoms in the network with other anions. Following this approach, SrAl5P4N10O2F3 was synthesized at high‐temperature and high‐pressure conditions using a multianvil press (1400 °C, 5 GPa) starting from Sr(N3)2, c‐PON, P3N5, AlN, and NH4F. SrAl5P4N10O2F3 crystallizes in space group
with a=11.1685(2) and c=7.84850(10) Å. Atomic‐resolution EDX mapping with scanning transmission electron microscopy (STEM) indicates atom assignments, which are further corroborated by bond‐valence sum (BVS) calculations. Ten Al3+‐centered octahedra form a highly condensed tetra‐face‐capped octahedra‐based unit that is a novel structure motif in network compounds. A network of vertex‐sharing PN4 tetrahedra and chains of face‐sharing Sr2+‐centered cuboctahedra complement the structure. Eu2+‐doped SrAl5P4N10O2F3 shows blue emission (λem=469 nm, fwhm=98 nm; 4504 cm−1) when irradiated with UV light.