bluuebunny/crossref_metadata_2025_split huggingface dataset:
Renewable low viscosity polyester‐polyols for biodegradable thermoplastic polyurethanes
Authors: Rajput Bhausaheb S. , Hai Thien An Phung , Gunawan Natasha R. , Tessman Marissa , Neelakantan Nitin , Scofield Gordon B. , Brizuela Jose , Samoylov Anton A. , Modi Miheer , Shepherd Jenna , Patel Amal , Pomeroy Robert S. , Pourahmady Naser , Mayfield Stephen P. , Burkart Michael D. 
Published: September 2022

AbstractIn the transition to renewably sourced, biodegradable polymers, the preparation of low viscosity polyester‐polyols has posed a challenge for renewable polyurethane (PU) development. Low viscosity polyols not only reduce the requirement for high process temperatures but also decrease manufacturing time. In our efforts to incorporate increasing ratios of bio‐based monomers into renewable PUs, we mixed diacids such as even carbon sebacic acid and odd carbon azelaic acid along with a renewable diol. This provided library of 2000 g/mol molecular weight polyester‐polyols, and structures were established by 1H and 13C NMR analysis. The prepared polyester‐polyols offered lower viscosity and enable lower fabrication temperatures to make TPUs, and their structure and material metrics were evaluated. The formation of TPUs is ascertained from FTIR and NMR analysis. The final TPUs displayed good physical and mechanical properties. These TPUs exhibited Tg in the range of −56.5 to −39.7°C, corresponding to TPU soft block structure, and Tm between 98.3 and 105.1°C originating from the hard segment. Prepared TPUs exhibit excellent biodegradation under compost environmental conditions. These TPUs showed up to 57% decrease in molecular weight by GPC analysis after 9 weeks of biodegradation, and respirometer analysis displayed up to 97% biodegradation over 120 days.
Impact of fetal treatments for congenital diaphragmatic hernia on lung development
Authors: Dahl Mar Janna , Lavizzari Anna , Davis Jonathan W. , Noble Peter B. , Dellacà Raffaele , Pillow J. Jane 
Published: September 2022

AbstractThe extent of lung hypoplasia impacts the survival and severity of morbidities associated with congenital diaphragmatic hernia (CDH). The alveoli of CDH infants and in experimental models of CDH have thickened septa with fewer type II pneumocytes and capillaries. Fetal treatments of CDH‐risk preterm birth. Therefore, treatments must aim to balance the need for increased gas exchange surface area with the restoration of pulmonary epithelial type II cells and the long‐term respiratory and neurodevelopmental consequences of prematurity. Achievement of sufficient lung development in utero for successful postnatal transition requires adequate intra‐thoracic space for lung growth, maintenance of sufficient volume and appropriate composition of fetal lung fluid, regular fetal breathing movements, appropriate gas exchange area, and ample surfactant production. The review aims to examine the rationale for current and future therapeutic strategies to improve postnatal outcomes of infants with CDH.
Palladium‐catalyzed Synthesis of Fused Carbo‐ and Heterocycles
Authors: Ghosh Tapas , Biswas Diptam , Bhakta Sayantika 
Published: September 2022

AbstractThe use of palladium catalysts in fused ring synthesis has been increasingly noteworthy in recent years in organic synthesis. It has a lot of potential compared to other transition metal catalysts, because of its one‐of‐a‐kind feature that makes them more widely applicable in a variety of disciplines application. Palladium is important in a variety of Heck processes, including intramolecular, intermolecular, and reductive Heck reactions, which produce diverse carbocycles and heterocycles of biological importance. Under optimal reaction conditions, carbocyclization or heterocyclization occurs, resulting in the production of numerous structural building blocks of naturally occurring compounds. Beside intramolecular Heck‐type reactions, cycloaddition, cycloalkylation, oxidative coupling, C−H functionalization, cross‐coupling reactions, and carboamidation reactions have also been employed extensively to access fused carbo‐ and heterocycles of immense biological importance. This review article provides a well‐summarized discussion (since 2001) on fused carbo‐ and heterocycle ring synthesis using palladium catalysts, overviewing their applications, and mechanistic insights.
Probable nature of HD 196821: Is the star a cool HgMn?
Authors: Çalışkan Şeyma , Ünal Kübraözge , Özuyar Doğus , Kılıçoğlu Tolgahan , Elmaslı Aslı , Özgür Ergün , Nasolo Yahya 
Published: September 2022

AbstractThe abundance and detailed chemical analysis of HD 196821 are discussed, based on medium‐ and high‐resolution spectra. The nature of this star is controversial: it has been classified variously as Bootis, Ap of the Si‐Cr group, and HgMn. The atmospheric parameters are determined from the Hβ profile line from the medium‐resolution spectra. We measure the chemical abundances of 19 atomic species from the high‐resolution spectrum. The atmosphere of this star has slightly lower abundances of the light elements oxygen and magnesium with respect to solar values. Nevertheless, phosphorus, scandium, and chromium, as well as the heavy elements Sr, Y, Ba, and Yb, are enhanced compared to the solar values. The abundances of silicon, titanium, iron, and nickel are close to solar. HD 196821 shows an obvious overabundance of Mn II (2.11 dex) and Hg II (5.32 dex). Such a pattern is characteristic of chemically peculiar stars, particularly mercury‐manganese stars. We also investigate the possible photometric variability of the star. The transiting exoplanet survey satellite light curve of HD 196821 reveals a rotational period of 5.7182 days and a harmonic of 2.8286 days, indicating the presence of high‐contrast star‐spots on its surface. According to these indicators, we conclude that the star is a mercury‐manganese star.
3‐Chloro‐5‐Substituted‐1,2,4‐Thiadiazoles (TDZs) as Selective and Efficient Protein Thiol Modifiers
Authors: Jänsch Niklas , Frühauf Anton , Schweipert Markus , Debarnot Cécile , Erhardt Miriam , Brenner‐Weiss Gerald , Kirschhöfer Frank , Jasionis Tomas , Čapkauskaitė Edita , Zubrienė Asta , Matulis Daumantas , Meyer‐Almes Franz‐Josef 
Published: September 2022

AbstractThe study of cysteine modifications has gained much attention in recent years. This includes detailed investigations in the field of redox biology with focus on numerous redox derivatives like nitrosothiols, sulfenic acids, sulfinic acids and sulfonic acids resulting from increasing oxidation, S‐lipidation, and perthiols. For these studies selective and rapid blocking of free protein thiols is required to prevent disulfide rearrangement. In our attempt to find new inhibitors of human histone deacetylase 8 (HDAC8) we discovered 5‐sulfonyl and 5‐sulfinyl substituted 1,2,4‐thiadiazoles (TDZ), which surprisingly show an outstanding reactivity against thiols in aqueous solution. Encouraged by these observations we investigated the mechanism of action in detail and show that these compounds react more specifically and faster than commonly used N‐ethyl maleimide, making them superior alternatives for efficient blocking of free thiols in proteins. We show that 5‐sulfonyl‐TDZ can be readily applied in commonly used biotin switch assays. Using the example of human HDAC8, we demonstrate that cysteine modification by a 5‐sulfonyl‐TDZ is easily measurable using quantitative HPLC/ESI‐QTOF‐MS/MS, and allows for the simultaneous measurement of the modification kinetics of seven solvent‐accessible cysteines in HDAC8.
Fusion of Formate Dehydrogenase and Alanine Dehydrogenase as an Amino Donor Regenerating System Coupled to Transaminases
Authors: Marchini Valentina , Benítez‐Mateos Ana I. , Hutter Sofia L. , Paradisi Francesca 
Published: September 2022

AbstractFusion enzymes are attractive tools for facilitating the assembly of biocatalytic cascades for chemical synthesis. This approach can offer great advantages for cooperative redox cascades that need the constant supply of a donor molecule. In this work, we have developed a self‐sufficient bifunctional enzyme that can be coupled to transaminase‐catalyzed reactions for the efficient recycling of the amino donor (L‐alanine). By genetic fusion of an alanine dehydrogenase (AlaDH) and a formate dehydrogenase (FDH), a redox‐complementary system was applied to recycle the amino donor and the cofactor (NADH), respectively. AlaDH and FDH were assembled in both combinations (FDH‐AlaDH and AlaDH‐FDH), with a 2.5‐fold higher enzymatic activity of the latter system. Then, AlaDH‐FDH was coupled to two different S‐selective transaminases for the synthesis of vanillyl amine (10 mM) reaching up to 99 % conversion in 24 h in both cases. Finally, the multienzyme system was reused for at least 3 consecutive cycles when implemented in dialysis‐assisted biotransformations.
Sentinel node mapping and biopsy in ectopic axillary breast cancer: A case report and review of the literature
Authors: Harris Micah K. , Guo Marissa Z. , Mangino Ann , Taylor Clayton , Carson William E. 
Published: September 2022

AbstractSentinel lymph node mapping in patients with axillary breast carcinoma is technically challenging and poorly described in the literature. We report a patient with primary ectopic breast carcinoma of the axilla in whom concurrent peri‐tumoral and intra‐tumoral injection of radionuclide tracer allowed for identification and biopsy of sentinel lymph nodes.
A case of BNT162b2 COVID‐19 vaccine‐associated fulminant myocarditis in a very elderly woman
Authors: Otsuka Kaishi , Matsuo Takashi , Ishimatsu Takashi , Fukae Atsuki , Hamamoto Takuro , Oku Koji , Ito Masahiro 
Published: September 2022

AbstractCoronavirus disease 2019 (COVID‐19) vaccination is reportedly safe and effective. The histologic features of post‐COVID‐19 vaccination myocarditis are unknown. We present a case of a 77‐year‐old Japanese woman diagnosed with eosinophilic myocarditis using endomyocardial biopsy, 7 days after the second dose of BNT162b2 COVID‐19 vaccine. Steroid pulse therapy was effective.
Hypoparathyroidism as one of the initial presentations of systemic lupus erythematosus
Authors: Gadakchi Leyla , Ebrahimi Ali‐Asghar , Sadra Vahideh , Moslemi Mohammadreza , Khabbazi Alireza 
Published: September 2022

AbstractSystemic lupus erythematosus (SLE) is an autoimmune disease and may be associated with many autoimmune conditions. Hypoparathyroidism is a rare disease. The leading cause of hypoparathyroidism is postsurgical hypoparathyroidism. However, hypoparathyroidism as an initial presentation of SLE is still a rare condition. Here, we report a case of SLE presented with hypoparathyroidism and Hashimoto's thyroiditis.
N‐Heterocyclic Carbene‐Based Zinc Complexes: Same Precursors for Different Lactide Ring‐Opening Polymerization Mechanisms.
Authors: Tufano Federica , Santulli Federica , Grisi Fabia , Lamberti Marina 
Published: September 2022

AbstractTwo zinc complexes bearing NHC ligands were synthesized and fully characterized by NMR spectroscopy. Their behavior in the Ring‐Opening Polymerization (ROP) of lactides was investigated under several conditions of reaction. They showed to be efficient initiators, producing polylactides with molecular weights depending on the cocatalysts. Microstructural analysis of poly(rac‐LA) by1H NMR spectroscopy revealed a slightly enriched‐heterotactic PLAs withPrvalues up to 0.66. Inspection of the kinetic parameters for L‐LA andrac‐LA allowed to compare thekobsof the studied complexes1and2under different conditions, and showed that propagations present the usual pseudo‐first‐order dependence on monomer concentration. Hence, some reactivity studies were carried out, addressed to unravel the nature of the active species in the polymerization processes conducted in the presence of different catalytic systems, namely zinc complexes alone and in combination with neutral or ionic cocatalysts.
Stabilization of Extra‐Large‐Pore Zeolite by Boron Substitution for the Production of Commercially Applicable Catalysts
Authors: Chen Pohua , Xie Mingguan , Zhai Yunping , Wang Youju , Huang Zhehao , Yang Taimin , Sun Wenjia , Wang Yongrui , Sun Junliang 
Published: September 2022

AbstractStable extra‐large‐pore zeolites are desirable for industrial purposes due to their ability to accommodate bulky reactants and diffusion through channels. Although there are several extra‐large pore zeolites reported, stable ones are rare. Thus, their stabilization is a feasible strategy for industrial applications. Here, an extra‐large‐pore zeolite EWT with boron substitution is presented, and the resulting zeolite B‐RZM‐3 increased the thermal stability from 600 °C in its silica form to 850 °C. The crystal structure, determined by combining continuous rotation electron diffraction (cRED) and powder X‐ray diffraction (PXRD), shows that B atoms preferentially substitute the interrupted (HO)T(OT)3 (Q3) sites and are partially converted into 3‐coordination to relax framework deformation upon heating. After Al‐reinsertion post‐treatment, Al‐B‐RZM‐3 shows higher ethylbenzene selectivity and ethylene conversion rate per mol acid site than commercial ZSM‐5 and Beta zeolite in benzene alkylation reaction. Synthesizing extra‐large‐pore zeolite in borosilicate form is a potential approach to stabilize interrupted zeolites for commercial applications.
Palladium‐Catalyzed Cascade Reaction in Water to Imidazo[1,2‐a]pyridazines as Switchable DSEgens, AIEgens, and ACQgens**
Authors: Lao Jiaxin , Li Jinbiao , Zou Hongbin 
Published: September 2022

AbstractDual‐state emission (DSE) luminophores exhibit strong emissions in both solution and solid states, filling the gaps between aggregation‐induced emissions (AIE) and aggregation‐caused quenching (ACQ). However, limited design concepts and complicated synthetic strategies restrict the discovery of novel DSE molecules. Developing efficient and green methodologies to access novel DSE scaffolds via rational design remains highly desirable. In this work, we report a water‐promoted Pd‐catalyzed cascade reaction for the synthesis of multi‐substituted imidazo[1,2‐a]pyridazine derivatives with DSE properties. The intramolecular interactions of the neighboring benzene rings restrict molecular motion, leading to emissions in the solid state (quantum yield: 11 %), and the newly constructed core structure of imidazo[1,2‐a]pyridazine ensures considerable planarity, allowing for emissions in solution. Further removal of the neighboring phenyl groups resulted in ACQgens, while additional methyl groups led to AIEgens. Subsequent live cell imaging investigations suggested that the novel DSEgens could serve as specific lipid droplet (LD) probes in a wide concentration range.
Highly Efficient Au(I) Alkynyl Emitters: Thermally Activated Delayed Fluorescence and Solution‐Processed OLEDs
Authors: Yu Fei‐Hu , Song Xiu‐Fang , Liu Guan‐Hao , Chang Xiaoyong , Li Kai , Wang Ying , Cui Ganglong , Chen Yong 
Published: September 2022

AbstractTwo‐coordinate donor‐metal‐acceptor type coinage metal complexes displaying efficient thermally activated delayed fluorescence (TADF) have been unveiled to be highly appealing candidates as emitters for organic light‐emitting diodes (OLEDs). Herein a series of green to yellow TADF gold(I) complexes with alkynyl ligands has been developed for the first time. The complexes exhibit high photoluminescence quantum yields (PLQYs) of up to 0.76 in doped films (5 wt % in PMMA) at room temperature. The modifications of alkynyl ligands with electron‐donating amino groups together with the use of electron‐deficient carbene ligands induce ligand‐to‐ligand charge transfer excited states that give rise to TADF emission. Spectroscopic and density functional theory (DFT) calculations reveal the roles of electron‐donating capability of the alkynyl ligand in tuning the excited‐state properties. Solution‐processed organic light‐emitting diodes (OLEDs) using the present complexes as emitters achieve maximum external quantum efficiency (EQE) of up to 20 %.
In Situ Studies of the Formation of Tungsten and Niobium Oxide Nanoparticles: Towards Automated Analysis of Reaction Pathways from PDF Analysis using the Pearson Correlation Coefficient
Authors: Kjær Emil T. S. , Aalling‐Frederiksen Olivia , Yang Long , Thomas Nancy K. , Juelsholt Mikkel , Billinge Simon J. L. , Jensen Kirsten M. Ø. 
Published: September 2022

AbstractInvited for this month's cover are the groups of Kirsten M. Ø. Jensen at the University of Copenhagen (Denmark) and Simon J. L. Billinge at Columbia University (US). The cover picture shows a sketch of the formation process of metal oxide nanoparticles, where nanocrystalline oxides form from fragments of e.g., polyoxometalates. In situ X‐ray total scattering studies with Pair Distribution Function analysis can give new insights into the formation process, as it provides structural information on all stages of the reaction – from precursor ions in solution, over amorphous or nanostructured intermediates to the final crystalline material. Here, it is show how the analysis of such data can be automated using structure mining and simple computational tools. Read the full text of their Research Article at 10.1002/cmtd.202200034.
The parabigeminal nucleus is a source of “retinogeniculate replacement terminals” in mice that lack retinofugal input
Authors: Whyland Kyle L. , Hernandez Yanio , Slusarczyk Arkadiusz S. , Guido William , Bickford Martha E. 
Published: September 2022

AbstractIn the dorsal lateral geniculate nucleus (LGN) of mice that lack retinal input, a population of large terminals supplants the synaptic arrangements normally made by the missing retinogeniculate terminals. To identify potential sources of these “retinogeniculate replacement terminals,” we used mutant mice (math5–/–) which lack retinofugal projections due to the failure of retinal ganglion cells to develop. In this line, we labeled LGN terminals that originate from the primary visual cortex (V1) or the parabigeminal nucleus (PBG), and compared their ultrastructure to retinogeniculate, V1 or PBG terminals in the dLGN of C57Blk6 (WT) mice (schematically depicted above graph). Corticogeniculate terminals labeled in WT and math5–/– mice were similar in size and both groups were significantly smaller than WT retinogeniculate terminals. In contrast, the PBG projection in math5–/– mice was extensive and there was considerable overlap in the sizes of retinogeniculate terminals in WT mice and PBG terminals in math5–/– mice (summarized in histogram). The data indicate that V1 is not a source of “retinogeniculate replacement terminals” and suggests that large PBG terminals expand their innervation territory to replace retinogeniculate terminals in their absence.
Detection of zero‐day attacks in computer networks using combined classification
Authors: Gavari Bami Hamid , Moharamkhani Elaheh , Zadmehr Behrouz , Najafpoor Vahid , Shokouhifar Mohammad 
Published: September 2022

SummaryIn today's world, many public and private services are provided virtually on the Internet. Due to the increasing dynamism and development of computer networks, intrusion detection systems, as one of the hottest topics in network security, has become an attractive area of research for researchers. The intrusion detection system tries to categorize the activity of the connections into two categories, normal and abnormal. In intrusion detection system, each connection is described based on a set of features, and decisions about whether that connection is normal or abnormal are made using those features. The act of determining the norm or abnormality of a connection is called classification. In this article, a method based on combined classification is proposed to detect zero‐day attacks. One of the most important innovations in this method is using a new version of the GRASP feature selection algorithm, which is used to diversify the base classifiers. In this method, an attempt is made to produce a subset of different features that have high accuracy; and variety to be used in the assembly stage. Experimental results showed that the method used to create feature subsets has high quality.
Low Loading and High Activity of Platinum Oxide Nanoclusters Formed by Defect Engineering of a Metal‐Organic Framework for Formaldehyde Degradation
Authors: Ren Lantian , Ma Qinglang , Yin Anxiang , Feng Xiao , Zhang Teng , Wang Bo 
Published: September 2022

AbstractA distinct platinum oxide nanocluster (PtOx) was developed, consisting of only Pt−O bond by a defect‐engineered Al metal‐organic framework (MOF) (BIT‐72) with superior formaldehyde (HCHO) degradation activity and stability. With only 0.015 wt % Pt loading, PtOx@BIT‐72‐DE could degrade HCHO with 100 % conversion continuously for at least 200 h under HCHO concentration of 25 ppm and gas hourly space velocity of 60000 mL g−1 h−1 at room temperature. Furthermore, its specific rate (446 mmolHCHO gPt−1 h−1) was higher than for traditional Pt‐based catalysts and single‐atom Pt catalysts. Moreover, the cost of PtOx@BIT‐72‐DE was lowered to 0.0769 $ g−1, which could significantly facilitate its commercial application. This study demonstrates the promising potential of MOFs in the design of HCHO degradation catalysts.
Renal effects of empagliflozin in patients hospitalized for acute heart failure: from the EMPULSE trial
Authors: Voors Adriaan A. , Damman Kevin , Teerlink John R. , Angermann Christiane E. , Collins Sean P. , Kosiborod Mikhail , Biegus Jan , Ferreira João Pedro , Nassif Michael E. , Psotka Mitchell A. , Tromp Jasper , Brueckmann Martina , Blatchford Jonathan P. , Salsali Afshin , Ponikowski Piotr ,   for the EMPULSE Trial Investigators
Published: September 2022

AbstractAimThe sodium–glucose cotransporter 2 (SGLT2) inhibitor empagliflozin improved clinical outcomes in patients hospitalized for acute heart failure. In patients with chronic heart failure, SGLT2 inhibitors cause an early decline in estimated glomerular filtration rate (eGFR) followed by a slower eGFR decline over time than placebo. However, the effects of SGLT2 inhibitors on renal function during a hospital admission for acute heart failure remain largely unknown.Methods and resultsBetween 1 and 5 days after a hospitalization for acute heart failure, 530 patients with an eGFR >20 ml/min/1.73 m2 were randomized to 10 mg of empagliflozin or placebo and treated for 90 days. Renal function and electrolytes were measured at baseline, and after 15, 30 and 90 days. We evaluated the effect of empagliflozin on eGFR over time and the impact of baseline eGFR on the primary hierarchical outcome of death, worsening heart failure events and quality of life. Mean baseline eGFR was 52.4 ml/min/1.73 m2 in the empagliflozin group and 55.7 ml/min/1.73 m2 in the placebo group. Empagliflozin caused an initial decline in eGFR (−2 ml/min/1.73 m2 at day 15 compared to placebo). At day 90, eGFR was similar between empagliflozin and placebo. Investigator‐reported acute renal failure occurred in 7.7% of empagliflozin versus 12.1% of placebo patients. The overall clinical benefit (hierarchical composite of all‐cause death, heart failure events and quality of life) of empagliflozin was unaffected by baseline eGFR.ConclusionIn patients hospitalized for acute heart failure, empagliflozin caused an early modest decline in renal function which was no longer evident after 90 days. Acute renal events were similar in both groups. The clinical benefit of empagliflozin was consistent regardless of baseline renal function.