bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modellierung der TWIST‐Schale des CUBE
Authors: Vakaliuk Iurii 
Published: December 2022

AbstractDer Beitrag gibt einen Überblick über die wichtigsten Verfahren, die während der Phase der Projektentwicklung im Bereich der numerischen Modellierung und des Entwurfs erarbeitet wurden. Die Dachschalenelemente haben eine verdrehte Form, die zusammen mit der inneren Hohlkammerstruktur eine relativ komplizierte Konfiguration für die Betonvolumina sowie für die verwendete Bewehrung notwendig machten. Daher war es erforderlich, eine maßgeschneiderte numerische Methode zu entwickeln. Dafür wurden hauptsächlich die Softwarelösungen Rhinoceros 3D und Grasshopper 3D für die algorithmische Umgebung verwendet. Der Beitrag gibt darüber hinaus einen Einblick in wichtige Aspekte, die für die Herstellung der Wärmedämmblöcke, der biaxial orientierten Carbonfaserbewehrungsgitter und anderer Teile der tragenden Schalen erforderlich sind. Abschließend wird dargestellt, wie die Zusammenarbeit mit den Partnern des CUBE‐Projekts, insbesondere im Bereich der Tragwerksplanung, aufgebaut wurde.
Acetamidinium bromoplumbate CH3C(NH2)2PbBr3 with 4H BaRuO3 structure
Authors: Lee Hyun‐Jong , Lee Eunji , Cha Ji‐Hyun , Jung Duk‐Young 
Published: December 2022

AbstractAcetamidinium bromoplumbate, denoted (ACA)PbBr3, was synthesized from acetamidinium bromide and lead bromide in liquid medium under ambient atmosphere. The large radius of the acetamidinium group of (ACA)PbBr3 accommodates the 4H BaRuO3 structure, which has a hexagonal array of infinite face‐shared and corner‐shared [PbBr6]4− units. (ACA)PbBr3 was characterized by single X‐ray diffraction, chemical analyses, thermal analyses, 1H NMR, and FT‐IR spectroscopy.
A study on finger vein recognition with few samples based on residual connected meta‐learning
Authors: Zhang Ye , Yan Fangpeng , Ji Xiang , Wang Bo , Feng Dingzhong 
Published: December 2022

AbstractA meta‐learning based method for finger vein recognition with few samples is proposed to overcome the problem of low recognition accuracy caused by the small number and variety of finger vein samples as well as fuzzy vein lines. The method is based on meta‐learning, incorporating multiscale features, and using the idea of residual networks to join meta‐learning to improve the recognition accuracy of finger vein images with few samples; to further improve its recognition ability, a differential map is constructed in the form of a differential between the finger vein image of singular value decomposition and finger vein image. We are the first to apply meta‐learning to the field of finger vein recognition, to our knowledge, and the experiments show that this approach is superior, with recognition accuracy of up to 99.13% for finger vein datasets with few‐shot samples.
The Laccase of Myrothecium roridum VKM F‐3565: A New Look at Fungal Laccase Tolerance to Neutral and Alkaline Conditions**
Authors: Renfeld Zhanna V. , Chernykh Alexey M. , Egorova (Shebanova) Anna D. , Baskunov Boris P. , Gaidina Anastasya S. , Myasoedova Nina M. , Moiseeva Olga V. , Kolomytseva Marina P. 
Published: December 2022

AbstractMost of the currently known fungal laccases show their maximum activity under acidic environmental conditions. It is known that a decrease in the activity of a typical laccase at neutral or alkaline pH values is the result of an increase in the binding of the hydroxide anion to the T2/T3 copper center, which prevents the transfer of an electron from the T1 Cu to the trinuclear copper center. However, evolutionary pressure has resolved the existing limitations in the catalytic mechanism of laccase, allowing such enzymes to be functionally active under neutral/alkaline pH conditions, thereby giving fungi an advantage for their survival. Combined molecular and biochemical studies, homological modeling, calculation of the electrostatic potential on the Connolly surface at pH 5.0 and 7.0, and structural analysis of the novel alkaliphilic laccase of Myrothecium roridum VKM F‐3565 and alkaliphilic and acidophilic fungal laccases with a known structure allowed a new intramolecular channel near the one of the catalytic aspartate residues at T2‐copper atom to be found. The amino acid residues of alkaliphilic laccases forming this channel can presumably serve as proton donors for catalytic aspartates under neutral conditions, thus ensuring proper functioning. For the first time for ascomycetous laccases, the production of new trimeric products of phenylpropanoid condensation under neutral conditions has been shown, which could have a potential for use in pharmacology.
Prostate adenocarcinoma presenting as diffuse osteolytic metastasis
Authors: Faisal Mohanad , Al‐Mashdali Abdulrahman F. , Jasim Noor , Khalil Mohamed Salem Ismail 
Published: December 2022

AbstractProstate cancer is one of the most common cancers that metastasize to the bone. Bone metastasis is usually osteoblastic, and diffuse osteolytic lesion on presentation is unusual. Here, we are reporting MRI image of patient presented with diffuse osteolytic lesion and found to have metastatic prostate cancer.
Donor to Acceptor Charge Transfer in Carbazole‐based Conjugated Microporous Polymers for Enhanced Visible‐Light‐Driven Photocatalytic Water Splitting
Authors: Saber Ahmed Fathi , Elewa Ahmed M. , Chou Ho‐Hsiu , EL‐Mahdy Ahmed F. M. 
Published: December 2022

AbstractNowadays, conjugated microporous polymers (CMPs) of the donor‐acceptor (D‐A) type show excellent photocatalytic performance in water splitting due to their efficient isolation of light‐induced excitons. The key to this activity lies in the appropriate selection of electron donor and acceptor units. In this paper, we synthesized three D‐A carbazole‐based CMPs and investigated the influence of planarity, electronic structure, crystallinity, and surface area on their photocatalytic efficiency in hydrogen evolution from water. Our CMPs have excellent light collection ability, fast separation rates, and minimal recombination rates for the electron/hole pairs, so an excellent hydrogen evolution rate (HER) was achieved by water reduction. Moreover, the most efficient semiconductor Cz‐4Py CMP, which had the lowest dihedral angle, more suitable LUMO level, semi‐crystalline nature, and largest surface area, showed the best HER up to 8813 μmol g−1 h−1 under visible light with an apparent quantum yield (AQY) of 4.51 % at λ=420 nm. While the HERs for Cz‐4TPT and Cz‐4TzTz CMPs with higher dihedral angle, amorphous nature, and lower surface area were 1702 and 1541 μmol g−1 h−1, respectively. The efficiencies obtained exceed those of many polymeric materials reported for photocatalytic H2O reduction. This work confirms the importance of the molecular design of CMP photocatalysts to optimize their performance in hydrogen release by water dissociation.
Elimination of Dibenzothiophene from Model Gasoline by Binary Biowastes‐Derived Activated Carbon
Authors: Nayyef Akram W. , Fadhil Abdelrahman B. 
Published: December 2022

AbstractA novel activated carbon (AC) was created from an equal blend of date stones and walnut shells by ZnCl2 chemical activation. The impact of the impregnation and the carbonization conditions on the AC synthesis was investigated. Numerous techniques were used to identify the optimal AC. The best AC sample was created at a 1:1 ZnCl2/feed impregnation ratio, 500 °C, and in 60 min, with a surface area of 1039.20 m2g−1. This AC was employed for the removal of dibenzothiophene (DBT) from model gasoline. Superior removal of DBT (98.18 %) was accomplished using 25 mL DBT solution (200 mg L−1) and an AC dose of 0.35 g at 30 °C for a contact period of 30 min. The Freundlich isotherm and the pseudo‐second‐order kinetic model best described the DBT sorption compared to other models.
Reversing the Bond Length Alternation Order in Conjugated Polyenes by Substituent Effects
Authors: Yanai Hikaru , Terajima Yoshihiko , Kleemiss Florian , Grabowsky Simon , Matsumoto Takashi 
Published: December 2022

AbstractWe have synthesised several push‐pull substituted conjugated polyenes and determined their accurate C−C bond lengths and charge‐density distributions by utilising quantum crystallographic techniques. In a series of alkene, dienes, and triene bearing two (trifluoromethyl)sulfonyl (triflyl) groups on the terminal carbon atom, unique reversal of the bond‐length alternation (BLA) order has been observed. This is a pronounced aberration from the molecular structure predicted by the Lewis‐structure‐based neutral resonance structure. Such reversal of BLA order has not been observed in push‐pull compounds bearing conventional electron‐withdrawing groups such as carbonyl and cyano groups instead of triflyl groups. Bonding behaviour of both normal and reversed bond length alternating systems has been revealed by complementary bonding analysis using several bond descriptors based on the experimentally fitted wavefunctions.
Investigation of the candesartan cilexetil antihypertensive drug microencapsulation by PLA‐PVP K30 biodegradable polymers: Experimental optimization and release kinetics modelling
Authors: Chabane Ahmed , Bouchal Fatiha , Hentabli Mohamed , Ayachi Nabila , Slama Houssam Eddine , Rezgui Farouk , Hammoumraoui Lydia 
Published: December 2022

AbstractCandesartan is an angiotensin receptor blocker (ARB) used to treat hypertension. However, its poor aqueous solubility and oral bioavailability have limited its therapeutic applications. In order to increase bioavailability and control the release of candesartan condensation, microspheres containing biodegradable polymers (polyvinylpyrrolidone [PVP K30] and polylactic acid [PLA]) in different ratios were prepared by the o/o solvent evaporation method using Span 80 as a surfactant. In addition, the impact of encapsulation parameters (i.e., PVP K30 and PLA concentrations) on the encapsulation ratio and release percentage was investigated by the mixed factorial design method. The release kinetics of the microspheres was simulated by combining two methods, the Dragonfly algorithm and a support vector machine (DA‐SVM). The experimental data were in good agreement with the predicted data, with a coefficient of determination close to unity and a mean square error close to zero. Fourier‐transfer infrared spectrometry (FTIR) analysis revealed the presence of condensation in all formulations without reporting distortion in the spectra. Scanning electron microscopy (SEM) confirmed the successful synthesis of microspheres, whose sizes were between 12 and 26 μm. Formulations with a PLA‐drug ratio of 6:1 (N15, N17, and N18) showed the highest encapsulation efficiency (68%, 71%, and 70%, respectively), while formulations that do contain PVP K30, such as N5, N4, and N3, showed a higher release (83%, 84%, and 89%, respectively), indicating that the agent (PVP K30) enhanced the bioavailability and release of candesartan. Overall, N3 showed a higher drug release rate at 12 h and important encapsulation efficiency, making it the optimal formulation obtained in this study.
The Effect of Surface Terminations on the Initial Stages of TiO2 Deposition on Functionalized Silicon
Authors: Parke Tyler , Silva‐Quinones Dhamelyz , Wang George T. , Teplyakov Andrew V. 
Published: December 2022

AbstractAs atomic layer deposition (ALD) emerges as a method to fabricate architectures with atomic precision, emphasis is placed on understanding surface reactions and nucleation mechanisms. ALD of titanium dioxide with TiCl4 and water has been used to investigate deposition processes in general, but the effect of surface termination on the initial TiO2 nucleation lacks needed mechanistic insights. This work examines the adsorption of TiCl4 on Cl−, H−, and HO− terminated Si(100) and Si(111) surfaces to elucidate the general role of different surface structures and defect types in manipulating surface reactivity of growth and non‐growth substrates. The surface sites and their role in the initial stages of deposition are examined by X‐ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Density functional theory (DFT) computations of the local functionalized silicon surfaces suggest oxygen‐containing defects are primary drivers of selectivity loss on these surfaces.
Effect of natural antioxidants on bond strength recovery of resin‐modified glass ionomers to the NaOCl‐affected pulp chamber dentin
Authors: Shafiei Fereshteh , Dehghani Zahra , Tavangar Maryam S. 
Published: December 2022

AbstractObjectiveThis study evaluated the effect of two natural antioxidants on the compromised bond strength of a resin‐modified glass ionomer (RMGI) to the sodium hypochlorite (NaOCl)‐affected pulp chamber dentin.MethodsForty‐two sound third molars were split into halves. The exposed pulp chamber dentin was ground to provide the flat dentin surfaces and divided into seven groups (n = 12), according to the solutions used for immersion: (1) Control, distilled water; (2) NaOCl, 5.25% NaOCl for 20 min; (3) NaOCl/Ethylenediaminetetraacetic acid (EDTA); 5.25% NaOCl for 20 min + 17% EDTA for 1 min; (4) NaOCl/TA, 5.25% NaOCl + 10% tanic acid (TA) for 5 min; (5) NaOCl/EDTA/TA, 5.25% NaOCl + 17% EDTA + 10% TA for 5 min; (6) NaOCl/PA, 5.25% NaOCl+ 10% proanthocyanidin for 5 min; and (7) NaOCl/EDTA/PA, 5.25% NaOCl+ 17% EDTA + 10% PA for 5 min. The RMGI was bonded on the treated dentin using a Tygon tube. After 24 h of storage, microshear bond strength (µSBS) was tested. Data in MPa were submitted to one‐way analysis of variance and Tamhane test.ResultsNaOCl significantly decreased the µSBS; NaOCl/EDTA and NaOCl/TA significantly increased the µSBS, higher than the control group (p < .05); and in the NaOCl/EDTA/TA group, the increased bond strength was at the level of the control group (p > .05). NaOCl/PA and NaOCl/EDTA/PA and NaOCl groups had comparable µSBS.ConclusionTA could be suggested to provide effective bonding of RMGI and immediate sealing of the pulp chamber dentin after NaOCl irrigation.
Life history and population ecology ofRadix swinhoei(Lymnaeidae) in nearshore regions of a hypereutrophic plateau lake
Authors: Zhang Junqian , Song Zhuoyan , Li Zhengfei , Yang Jiali , Xie Zhicai 
Published: December 2022

AbstractAccurate assessment of life history and population ecology of widespread species in ultra‐eutrophic freshwater lakes is a prerequisite for understanding the mechanisms by which widespread species respond to eutrophication. Freshwater pulmonate (Radix swinhoei) is widespread and abundant in many eutrophic water bodies in Asia. Despite its key roles in eutrophic lake systems, the information on life history and population ecology ofR. swinhoeiis lacking, especially in ultra‐eutrophic freshwater plateau lakes. Here, we conducted a 1‐year survey ofR. swinhoeiwith monthly collections to measure the life history traits (life span and growth), annual secondary production, and population size structure ofR. swinhoeiin nearshore regions with a high seasonally variation of nutrients in Lake Dianchi, a typic hypereutrophic plateau lake in Southwest China. Our results showed thatR. swinhoeihad the highest biomass in autumn and had the lowest in winter. Its maximum potential life span was 2.5 years, with three recruitment periods (November, March, and July) within a year. Its annual secondary production and P/B ratio were 137.19 g WW/m2and 16.05, respectively. Redundancy analysis showed that eutrophication‐related environmental factors had weak correlations with population size structure ofR. swinhoei. Our results suggested thatR. swinhoeiis a typical r‐strategist with high secondary production and thrive in eutrophic environment. Our study can help better understand the mechanisms for widespread species to survive eutrophication and could also be relevant for biodiversity conservation and management of eutrophic ecosystems.
Efficacy of guideline‐directed medical treatment in heart failure with mildly reduced ejection fraction
Authors: Zhang Xinxin , Sun Yuxi , Zhang Yunlong , Wang Ning , Sha Qiuyan , Yu Songqi , Lv Xin , Ding Zijie , Zhang Yanli , Tse Gary , Liu Ying 
Published: December 2022

AbstractAimsHeart failure with mildly reduced ejection fraction (HFmrEF) has received increasing attention following the publication of the latest ESC guidelines in 2021. However, it remains unclear whether patients with HFmrEF could benefit from guideline‐directed medical treatment (GDMT), referring the combination of ACEI/ARB/ARNI, β‐blockers, and MRAs, which are recommended for those with reduced ejection fraction. This study explored the efficacy of GDMT in HFmrEF patients.MethodsThis was a retrospective cohort study of HFmrEF patients admitted to The First Affiliated Hospital of Dalian Medical University between 1 September 2015 and 30 November 2019. Propensity score matching (1:2) between patients receiving triple‐drug therapy (TT) and non‐triple therapy (NTT) based on age and sex was performed. The primary outcome was all cause death, cardiac death, rehospitalization from any cause, and rehospitalization due to worsening heart failure.ResultsOf the 906 patients enrolled in the matched cohort (TT group, n = 302; NTT group, N = 604), 653 (72.08%) were male, and mean age was 61.1 ± 11.92. Survival analysis suggested that TT group experienced a significantly lower incidence of prespecified primary endpoints than NTT group. Multivariable Cox regression showed that TT group had a lower risk of all‐cause mortality (HR 0.656, 95% CI 0.447–0.961, P = 0.030), cardiac death (HR 0.599, 95% CI 0.380–0.946, P = 0.028), any‐cause rehospitalization (HR 0.687, 95% CI 0.541–0.872, P = 0.002), and heart failure rehospitalization (HR 0.732, 95% CI 0.565–0.948, P = 0.018).ConclusionsIn patients with HFmrEF, combined use of neurohormonal antagonists produces remarkable effects in reducing the occurrence of the primary outcome of rehospitalization and death. Thus, the treatment of HFmrEF should be categorized as HFrEF due to the similar benefit of neurohormonal blocking therapy in HFrEF and HFmrEF.
Prognostic value of Growth differentiation factors 15 in Acute heart failure patients with preserved ejection fraction
Authors: Yin Dan , Yan Xiaofang , Bai Xueke , Tian Aoxi , Gao Yan , Li Jing 
Published: December 2022

AbstractAimsThere is an increasing proportion of hospitalized heart failure (HF) patients classified as HF with preserved ejection fraction (HFpEF) around the world. Growth differentiation factor 15 (GDF‐15) is a promising biomarker in HFpEF prognostication; however, the majority of the existing data has been derived from the research on undifferentiated HF, whereas the studies focusing on HFpEF are still limited. This study aimed to determine the prognostic power of GDF‐15 in the hospitalized patients with HFpEF in a Chinese cohort.Methods and resultsWe analysed the levels of serum GDF‐15 in 380 patients hospitalized for acute onset of HFpEF measured by heart ultrasound at admission in a prospective cohort. The associations of GDF‐15 with 1 year risk of all‐cause death and 1 year HF readmission were assessed by the Cox proportional hazards model. Area under the receiver operating characteristic curves was used to compare predictive accuracy. GDF‐15 was strongly correlated with 1 year HF readmission and 1 year all‐cause death, with event rates of 24.8%, 40.0%, and 50.0% for 1 year HF readmission (P < 0.001), respectively, and with 11.2%, 13.6%, and 24.6% for 1 year all‐cause death (P = 0.004) in the corresponding tertile, respectively. In the multivariate linear regression model, GDF‐15 had a significantly negative correlation with haemoglobin (P = 0.01) and a positive correlation with creatinine (P = 0.01), alanine transaminase (P = 0.001), and therapy of aldosterone antagonist (P = 0.018). The univariate Cox regression model of GDF‐15 showed that c‐statistic was 0.632 for 1 year HF readmission and 0.644 for 1 year all‐cause death, which were superior to the N‐terminal pro‐brain natriuretic peptide (NT‐proBNP) model with c‐statistics of 0.595 and 0.610, respectively. In the multivariable Cox regression model, GDF‐15 tertiles independently predicted 1 year HF readmission (hazard ratio 2.25, 95% confidence interval: 1.43–3.54, P < 0.001) after adjusting for baseline Acute Study of Clinical Effectiveness of Nesiritide in Decompensated Heart Failure (ASCEND‐HF) risk score, history of HF, NT‐proBNP, and high‐sensitivity cardiac troponin T. Compared with the model including all the adjusted variables, the model with the addition of GDF‐15 improved predictive power, with c‐statistic increasing from 0.643 to 0.657 for 1 year HF readmission and from 0.638 to 0.660 for 1 year all‐cause death.ConclusionsIn hospitalized patients with HFpEF, GDF‐15 measured within 48 h of admission is a strong independent biomarker for 1 year HF readmission and even better than NT‐proBNP. GDF‐15 combined with the traditional indicators provided incremental prognostic value in this population.
Further Studies of CoIII(TIM) Mono‐Alkynyl and Bis‐Alkynyl Complexes
Authors: Rodriguez Segura Leobardo , Cox Kenneth E. , Samayoa‐Oviedo Hugo Y. , Ren Tong 
Published: December 2022

AbstractA new series of mono‐ and bis‐alkynyl CoIII(TIM) complexes (TIM=2,3,9,10‐tetramethyl‐1,4,8,11‐tetraazacyclotetradeca‐1,3,8,10‐tetraene) is reported herein. The trans‐[Co(TIM)(C2R)Cl]+ complexes were prepared from the reaction between trans‐[Co(TIM)Cl2]PF6 and HC2R (R=tri(isopropyl)silyl or TIPS (1), ‐C6H4‐4‐tBu (2), ‐C6H4‐4‐NO2 (3 a), and N‐mesityl‐1,8‐naphthalimide or NAPMes (4 a)) in the presence of Et3N. The intermediate complexes of the type trans‐[Co(TIM)(C2R)(NCMe)](PF6)(OTf), 3 b and 4 b, were obtained by treating 3 a and 4 a, respectively, with AgOTf in CH3CN. Furthermore, bis‐alkynyl trans‐[Co(TIM)(C2R)2]PF6 complexes, 3 c and 4 c, were generated following a second dehydrohalogenation reaction between 3 b and 4 b, respectively, and the appropriate HC2R in the presence of Et3N. These new complexes have been characterized using X‐ray diffraction (2, 3 a, 4 a, and 4 c), IR, 1H NMR, UV/Vis spectroscopy, fluorescent spectroscopy (4 c), and cyclic voltammetry.
Synthesis of Cyclic 1,2‐Bisphosphines by Tandem Michael Addition of 2,3‐Bis(diarylphosphinyl)‐1,3‐butadiene
Authors: Chen Zhenqiang , Sun Yingying , Wang Shoufeng , Zhang Qing‐Wei 
Published: December 2022

AbstractA base‐promoted tandem Michael addition of malonates to 2,3‐ bis(diarylphosphinyl)‐1,3‐butadienes was developed for the synthesis of cyclopentyl 1,2‐bisphosphine compounds. This method enables rapid construction of various 1,2‐bis(diarylphosphinyl)cyclopentanes, and features readily accessible reactants, mild conditions and good functional group tolerance. The product could be easily transformed to the corresponding transition metal complexes, which may find broad applications in asymmetric catalysis.