bluuebunny/crossref_metadata_2025_split huggingface dataset:
Colossal Anisotropic Thermal Expansion through Coupling Spin Crossover and Rhombus Deformation in a Hexanuclear {FeIII4FeII2} Compound
Authors: Sun Hui‐Ying , Meng Yin‐Shan , Zhao Liang , Yao Nian‐Tao , Mao Pan‐Dong , Liu Qiang , Yan Fei‐Fei , Oshio Hiroki , Liu Tao 
Published: May 2023

AbstractColossal and anisotropic thermal expansion is a key function for microscale or nanoscale actuators in material science. Herein, we present a hexanuclear compound of [(Tp*)FeIII(CN)3]4[FeII(Ppmp)]2⋅2 CH3OH (1, Tp*=hydrotris(3,5‐dimethyl‐pyrazol‐1‐yl)borate and Ppmp=2‐[3‐(2′‐pyridyl)pyrazol‐1‐ylmethyl]pyridine), which has a rhombic core structure abbreviated as {FeIII2FeII2}. Magnetic susceptibility measurements and single‐crystal X‐ray diffraction analyses revealed that 1 underwent thermally‐induced spin transition with the thermal hysteresis. The FeII site in 1 behaved as a spin crossover (SCO) unit, and significant deformation of its octahedron was observed during the spin transition process. Moreover, the distortion of the FeII centers actuated anisotropic deformation of the rhombic {FeIII2FeII2} core, which was spread over the whole crystal through the subsequent molecular rearrangements, leading to the colossal anisotropic thermal expansion. Our results provide a rational strategy for realizing the colossal anisotropic thermal expansion and shape memory effects by tuning the magnetic bistability.
Birefringence Regulation by Clarifying the Relationship Between Stereochemically Active Lone Pairs and Optical Anisotropy in Tin‐based Ternary Halides
Authors: Guo Jingyu , Huang Junben , Tudi Abudukadi , Hou Xueling , Han Shujuan , Yang Zhihua , Pan Shilie 
Published: May 2023

AbstractIt is important to establish and clarify the relationship between stereochemically active lone pairs and birefringence, since it is one of the significantly effective routes to explore birefringent crystals by introducing Sn‐centered polyhedra with stereochemically active lone pairs. Herein, four tin(II)‐based ternary halides A3SnCl5 and ASn2Cl5 (A=NH4 and Rb) have been synthesized successfully. The experimental birefringence of Rb3SnCl5 and RbSn2Cl5 is larger than or equal to 0.046 and 0.123@546 nm, respectively. Through investigating the alkali or alkaline‐earth metal tin(II)‐based ternary halides, the structure‐performance relationship has been concluded between stereochemically active lone pairs and optical anisotropy. It is beneficial to the analysis and prediction of birefringence in tin‐based halides and provides a guide for exploring tin(II)‐based optoelectronic functional materials.
Synthesis of a Blue‐Emissive Azaborathia[9]helicene by Silicon‐Boron Exchange from Unusual Atropisomeric Teraryls
Authors: Volland Daniel , Niedens Jan , Geppert Patrick T. , Wildervanck Martijn J. , Full Felix , Nowak‐Król Agnieszka 
Published: May 2023

AbstractWe report the concise synthesis and chir(optical) properties of an azaborathia[9]helicene consisting of two thienoazaborole motifs. The key intermediate, a highly congested teraryl with nearly parallel isoquinoline moieties, was generated as a mixture of atropisomers upon fusion of the central thiophene ring of the dithienothiophene moiety. These diastereomers were characterized by single crystal X‐ray analysis revealing intriguing interactions in the solid state. Subsequent insertion of boron into the aromatic scaffold via silicon‐boron exchange involving triisopropylsilyl groups fixed the helical geometry, thereby establishing a novel method for the preparation of azaboroles. The ligand exchange at boron in the final step afforded the blue emitter displaying a fluorescence quantum yield of 0.17 in CH2Cl2 and excellent configurational stability. Detailed structural and theoretical investigation of unusual atropisomers and the helicene provide insights into their isomerization processes.
Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non‐Covalent Interactions in a Uranyl Tetrahalide Model System
Authors: Rajapaksha Harindu , Augustine Logan J. , Mason Sara E. , Forbes Tori Z. 
Published: May 2023

AbstractTogether with the synthesis and experimental characterization of 14 hybrid materials containing [UO2X4]2− (X=Cl− and Br−) and organic cations, we report on novel methods for determining correlation trends in their formation enthalpy (ΔHf) and observed vibrational signatures. ΔHf values were analyzed through isothermal acid calorimetry and a Density Functional Theory+Thermodynamics (DFT+T) approach with results showing good agreement between theory and experiment. Three factors (packing efficiency, cation protonation enthalpy, and hydrogen bonding energy [
]) were assessed as descriptors for trends in ΔHf. Results demonstrated a strong correlation between
and ΔHf, highlighting the importance of hydrogen bonding networks in determining the relative stability of solid‐state hybrid materials. Lastly, we investigate how hydrogen bonding networks affect the vibrational characteristics of uranyl solid‐state materials using experimental Raman and IR spectroscopy and theoretical bond orders and find that hydrogen bonding can red‐shift U≡O stretching modes. Overall, the tightly integrated experimental and theoretical studies presented here bridge the trends in macroscopic thermodynamic energies and spectroscopic features with molecular‐level details of the geometry and electronic structure. This modeling framework forms a basis for exploring 3D hydrogen bonding as a tunable design feature in the pursuit of supramolecular materials by rational design.
Introduction to Dinosaurs: New Ideas from Old Bones papers honoring Peter Dodson
Authors: Fiorillo Anthony R. , Forster Catherine A. , Weishampel David B. 
Published: May 2023

AbstractThis special volume of The Anatomical Record honors the life‐long commitment to anatomy and paleontology by Professor Peter Dodson (Emeritus, University of Pennsylvania). Peter's legacy is not only rooted in his own research interests, but also in the wealth of former students he mentored over his career, many of whom have made their own new contributions to the fields of anatomy and paleontology through original scientific investigation. Within these 18 scientific papers, which cover multiple taxa, multiple continents, and multiple methodologies, each of the contributors brought to this volume their own unique work that can be traced back to some form of inspiration by the honoree.
Development of heterodimeric estrogen receptor alpha antagonists to target simultaneously the ligand and coactivator binding site
Authors: Hörmann Nikolas , Kalchschmid Christina , Grabher Patricia , Grassmayr Isabella , Kapitza Paul , Kaserer Teresa , Gust Ronald 
Published: May 2023

AbstractOne‐third of breast cancer patients will develop recurrent cancer within 15 years of endocrine treatment. Notably, tumor growth in a hormone‐refractory state still relies on the interaction between estrogen receptor alpha (ERα) and upregulated coactivators. Herein, we suggest that simultaneous targeting of the primary ligand binding site (LBS) and the coactivator binding site (CABS) at ERα represents a promising alternative therapeutic strategy to overcome mutation‐driven resistance in breast cancer. We synthesized two series of compounds that connect the LBS‐binder (E)−3‐{4‐[8‐fluoro‐4‐(4‐hydroxyphenyl)‐2,3‐dihydrobenzo[b]oxepin‐5‐yl]phenyl}acrylic acid 8 with the coactivator binding site inhibitors (CBIs) 4,6‐bis(isobutyl(methyl)amino)pyrimidine or 3‐(5‐methoxy‐1H‐benzo[d]imidazol‐2‐yl)propanoic acid via covalent linkage. The most active benzoxepine‐pyrimidine conjugate 31 showed strong inhibition of estradiol‐induced transactivation (IC50 =  18.2 nM (ERα) and 61.7 nM (ERβ)) in a luciferase reporter gene assay as well as high antiproliferative effects in MCF‐7 (IC50 = 65.9 nM) and tamoxifen‐resistant MCF‐7/TamR (IC50 = 88.9 nM) breast cancer cells. All heterodimers exhibited two‐ to sevenfold higher antagonism at ERα (compared with ERβ) and were superior to the acrylic acid precursor 8 in terms of ER antagonism and antiproliferative activity. It was demonstrated on the example of 31 that the compounds did not influence the ERα content in MCF‐7 cells and therefore act as pure antiestrogens without downregulating potency. Possible interactions of the CBI at the receptor surface, which enhanced the biological activities, were evaluated using molecular docking studies.
Molecular Principles of the Excited‐State Intramolecular Thiol Proton Transfers in 3‐thiolflavone Derivatives
Authors: Sun Pingping , Kripalani Devesh R. , Chi Weijie 
Published: May 2023

AbstractThe excited‐state intramolecular proton transfer (ESIPT) effect has attracted considerable attention due to its potential applications in photoluminescent materials. However, only a few theoretical reports have investigated the ESIPT process involving sulfur‐hydrogen bonds. Herein, we systematically investigated the ESIPT effect of three 3‐thiolflavone derivatives containing sulfur‐hydrogen bonds with M06‐2X functional combined Def2‐TZVP basis set. The intramolecular sulfur‐hydrogen bonds were confirmed in the ground and excited states via analyzing the bond lengths, interaction energies, and infrared vibrational spectra. Besides, we demonstrated that the electron‐withdrawing group led to a more stable tautomer compared to the electron‐donating group. Conversely, the electron‐donating group played a crucial role in reducing the energy barrier of the ESIPT reaction due to the strengthening of the hydrogen bond in the excited state. Interestingly, the substituent group can determine the excited‐state electronic properties of keto tautomers. Specifically, the electron‐withdrawing group caused significant improvement in the nπ* transition configuration, significantly reducing the radiation rate. The electron‐donating group increased the proportion of the ππ* transition configuration, thus, the keto tautomer had bright emission. We expect these findings to open new avenues for designing potential luminescent materials.
A randomised trial of [18F]PSMA‐1007‐PET/CT versus NaF‐PET/CT for staging primary prostate cancer: A trial protocol
Authors: Buch‐Olsen Karen Middelbo , Poulsen Mads Hvid , Hansen Steinbjørn , Vilstrup Mie Holm , Holm Jorun , Hess Søren , Holdgaard Paw Christian , Zieger Karsten Egbert Arnold , Madsen Søren Sørensen , Gerke Oke , Pedersen Kasper Tholstrup , Dam Johan Hygum , Langkjær Niels , Østergaard Louise Dorner , Asmussen Jon Thor , Braad Poul Erik , Nørgaard Birgitte , Eiber Matthias , Hildebrandt Malene Grubbe 
Published: May 2023

AbstractBackgroundProstate‐specific membrane antigen (PSMA)‐positron emission tomography/contrast‐enhanced computed tomography (PET/CT) is a sensitive imaging modality for prostate cancer (PCa). Due to lack of knowledge of the patient benefit, PSMA‐PET/CT is not yet recommended in the European guidelines for staging and treatment planning of patients with newly diagnosed PCa. We will investigate the potential difference in progression‐free survival (PFS) and quality of life (QoL) of using PSMA‐PET/CT versus sodium fluoride (NaF)‐PET/CT for staging and treatment planning in patients with newly diagnosed PCa.Study DesignThis is a prospective randomised controlled multicentre trial carried out at three centres in the Region of Southern Denmark.EndpointsThe primary endpoint is PFS. Secondary endpoints are residual disease, stage migration, impact on treatment strategies, stage distribution, QoL and diagnostic accuracy measures.Patients and MethodsPatients eligible for the study have newly diagnosed unfavourable intermediate‐ or high‐risk PCa. A total of 448 patients will be randomised 1:1 into two groups: (A) a control group staged with Na[18F]F‐PET/CT and (B) an intervention group staged with [18F]PSMA‐1007‐PET/CT. A subgroup in the intervention group will have a supplementary blinded Na[18F]F‐PET/CT performed for the purpose of performing accuracy analyses. QoL will be assessed at baseline and with regular intervals (3–12 months) during the study period. Treatment decisions are achieved at multidisciplinary team conferences based on the results of the respective scans and according to current Danish guidelines.Trial RegistrationThe Regional Committees on Health Research Ethics for Southern Denmark (S‐20190161) and the Danish Medicines Agency (EudraCT Number 2021‐000123‐12) approved the study, and it has been registered on clinicaltrials.gov (Record 2020110469).
MosSCI‐mediated exogenous gene expression is modulated by genomic positioning
Authors: Chen Yuzhi , Arlt Volker M. , Stürzenbaum Stephen R. 
Published: May 2023

AbstractAlthough the Mos1‐mediated single‐copy insertion (MosSCI) technique has been widely used to generate stable transgenic Caenorhabditis elegans strains, the link between stability of expression and integration site still needs to be explored. Here, experimental evidence is provided that transgenes are not able to match the level of transcription of their native counterpart, and that insertions at certain locations can result in an external stress‐mediated increase in expression. Insertion site ttTi5605 on chromosome II was shown to be a superior location, at least when introducing reproduction related genes. Thus, this study provides a reference for the selection of an optimal site for MosSCI which provides acceptable expression performance whilst minimizing undesirable secondary effects.
Mapping the field of responsible sourcing: Topic modeling through bibliometric analysis
Authors: Cherkaoui Adil , Aliat Marouane 
Published: May 2023

AbstractAcademic interest concerning inclusion of sustainability principles in the field of procurement has been in steady increase over the last 20 years. However, there is an apparent void in bibliometric analyses in this field. To address this gap, VosViewer is used in this study to examine the academic literature on responsible sourcing. 575 peer‐reviewed papers from Scopus were analyzed to reveal important topics, authors, and publications connected to the subject in hand. The first part of the analysis analyzed publication activity and listed all high impact journals covering the topic. Geographical distribution of findings showed that developed countries are the most productive in the field, in addition to an increasing interest from developing countries over the last decade. Keyword analysis generated from Vosviewer yielded to four main clusters covering the topic and shaping the intellectual structure of the study: (1) sustainable development & supply chain management, (2) environmental impact of procurement, (3) lifecycle analysis, (4) social responsibility and ethical sourcing. The article discusses the four main clusters and ends with concluding remarks encompassing six knowledge gaps and potential future research fields.
Adapting corporations to climate change: How decarbonization impacts the business strategy–performance nexus
Authors: França Alexandra , López‐Manuel Lucas , Sartal Antonio , Vázquez Xosé H. 
Published: May 2023

AbstractToday's conventional wisdom on competitive strategies advanced at a time when climate change was not an issue. However, increasing requirements for decarbonization may be affecting the soundness of well‐established knowledge, which includes the effect of competitive strategies on performance. Based on 15 years (2005–2019) of panel data on 1264 publicly traded corporations from 34 countries, we find that carbon abatement positively moderates the relation between the intensity of a cost‐leadership strategy and ROA, ROE, and Tobin's Q. A post hoc analysis also reveals, nevertheless, that this requires firms to show a minimum level of cost‐reduction expertise before they can consider harnessing decarbonization for the same purposes. By contrast, the effect of decarbonization on the differentiation–performance nexus only improves for Tobin's Q, thus reflecting their difficulty to monetize climate change efforts in the short term. Overall, these findings not only allow revitalizing a rather stuck literature on competitive strategies and performance but also inform managers about when and why they can expect to achieve decarbonization for free with current competitive strategies.
A high‐throughput microfluidic mechanoporation platform to enable intracellular delivery of cyclic peptides in cell‐based assays
Authors: Kasper Stephen H. , Otten Stephanie , Squadroni Brian , Orr‐Terry Cionna , Kuang Yi , Mussallem Lily , Ge Lan , Yan Lin , Kannan Srinivasaraghavan , Verma Chandra S. , Brown Christopher J. , Johannes Charles W. , Lane David P. , Chandramohan Arun , Partridge Anthony W. , Roberts Lee R. , Josien Hubert , Therien Alex G. , Hett Erik C. , Howell Bonnie J. , Peier Andrea , Ai Xi , Cassaday Jason 
Published: May 2023

AbstractCyclic peptides are poised to target historically difficult to drug intracellular protein–protein interactions, however, their general cell impermeability poses a challenge for characterizing function. Recent advances in microfluidics have enabled permeabilization of the cytoplasmic membrane by physical cell deformation (i.e., mechanoporation), resulting in intracellular delivery of impermeable macromolecules in vector‐ and electrophoretic‐free approaches. However, the number of payloads (e.g., peptides) and/or concentrations delivered via microfluidic mechanoporation is limited by having to pre‐mix cells and payloads, a manually intensive process. In this work, we show that cells are momentarily permeable (t1/2 = 1.1–2.8 min) after microfluidic vortex shedding (μVS) and that lower molecular weight macromolecules can be cytosolically delivered upon immediate exposure after cells are processed/permeabilized. To increase the ability to screen peptides, we built a system, dispensing‐microfluidic vortex shedding (DμVS), that integrates a μVS chip with inline microplate‐based dispensing. To do so, we synced an electronic pressure regulator, flow sensor, on/off dispense valve, and an x‐y motion platform in a software‐driven feedback loop. Using this system, we were able to deliver low microliter‐scale volumes of transiently mechanoporated cells to hundreds of wells on microtiter plates in just several minutes (e.g., 96‐well plate filled in <2.5 min). We validated the delivery of an impermeable peptide directed at MDM2, a negative regulator of the tumor suppressor p53, using a click chemistry‐ and NanoBRET‐based cell permeability assay in 96‐well format, with robust delivery across the full plate. Furthermore, we demonstrated that DμVS could be used to identify functional, low micromolar, cellular activity of otherwise cell‐inactive MDM2‐binding peptides using a p53 reporter cell assay in 96‐ and 384‐well format. Overall, DμVS can be combined with downstream cell assays to investigate intracellular target engagement in a high‐throughput manner, both for improving structure–activity relationship efforts and for early proof‐of‐biology of non‐optimized peptide (or potentially other macromolecular) tools.
In vitro culture of reptile PGCS to preserve endangered species
Authors: Golkar‐Narenji Afsaneh , Dziegiel Piotr , Kempisty Bartosz , Petitte James , Mozdziak Paul Edward , Bryja Artur 
Published: May 2023

AbstractPrimordial germ cells (PGCs), are the source of gametes in vertebrates. There are similarities in the development of PGCs of reptiles with avian and mammalian species PGCs development. PGCs culture has been performed for avian and mammalian species but there is no report for reptilian PGCs culture. In vitro culture of PGCs is needed to produce transgenic animals, preservation of endangered animals and for studies on cell behaviour and research on fertility. Reptiles are traded as exotic pets and a source of food and they are valuable for their skin and they are useful as model for medical research. Transgenic reptile has been suggested to be useful for pet industry and medical research. In this research different aspects of PGCs development was compared in three main classes of vertebrates including mammalian, avian and reptilian species. It is proposed that a discussion on similarities between reptilian PGCs development with avian and mammalian species helps to find clues for studies of reptilian PGCs development details and finding an efficient protocol for in vitro culture of reptilian PG.
Sheep‐derived cell immortalization through the expression of cell cycle regulators and biological characterization using transcriptomes
Authors: Kikuchi Noe , Matsusaka Himari , Bai Lanlan , Sano Hiroaki , Eitsuka Takahiro , Nakagawa Kiyotaka , Sugano Eriko , Ozaki Taku , Tomita Hiroshi , Kiyono Tohru , Fukuda Tomokazu 
Published: May 2023

AbstractSheep are important domestic animals for the production of wool and meat. Although numerous cultured cell lines from humans and mice have been established, the number of cell lines derived from sheep is limited. To overcome this issue, the efficient establishment of a sheep‐derived cell line and its biological characterization is reported. Mutant cyclin‐dependent kinase 4, cyclin D1, and telomerase reverse transcriptase were introduced into sheep muscle‐derived cells in an attempt to immortalize primary cells using the K4DT method. Furthermore, the SV40 large T oncogene was introduced into the cells. The successful immortalization of sheep muscle‐derived fibroblasts was shown using the K4DT method or SV40 large T antigen. Furthermore, the expression profile of established cells showed close biological characteristics of ear‐derived fibroblasts. This study provides a useful cellular resource for veterinary medicine and cell biology.
Three‐year outcomes for transcatheter repair in patients with mitral regurgitation from the CLASP study
Authors: Spargias Konstantinos , Lim D. Scott , Makkar Raj , Kar Saibal , Kipperman Robert M. , O′Neill William W. , Ng Martin K. C. , Smith Robert L. , Fam Neil P. , Rinaldi Michael J. , Raffel Christopher O. , Walters Darren L. , Levisay Justin , Montorfano Matteo , Latib Azeem , Carroll John D. , Nickenig Georg , Windecker Stephan , Marcoff Leo , Cohen Gideon N. , Schäfer Ulrich , Webb John G. , Szerlip Molly 
Published: May 2023

AbstractBackgroundMitral valve transcatheter edge‐to‐edge repair (M‐TEER) is an effective option for treatment of mitral regurgitation (MR). We previously reported favorable 2‐year outcomes for the PASCAL transcatheter valve repair system.ObjectivesWe report 3‐year outcomes from the multinational, prospective, single‐arm CLASP study with analysis by functional MR (FMR) and degenerative MR (DMR).MethodsPatients with core‐lab determined MR ≥ 3+ were deemed candidates for M‐TEER by the local heart team. Major adverse events were assessed by an independent clinical events committee to 1 year and by sites thereafter. Echocardiographic outcomes were evaluated by the core laboratory to 3 years.ResultsThe study enrolled 124 patients, 69% FMR; 31% DMR (60% NYHA class III‐IVa, 100% MR ≥ 3+). The 3‐year Kaplan−Meier estimate for survival was 75% (66% FMR; 92% DMR) and freedom from heart failure hospitalization (HFH) was 73% (64% FMR; 91% DMR), with 85% reduction in annualized HFH rate (81% FMR; 96% DMR) (p < 0.001). MR ≤ 2+ was achieved and maintained in 93% of patients (93% FMR; 94% DMR) and MR ≤ 1+ in 70% of patients (71% FMR; 67% DMR) (p < 0.001). The mean left ventricular end‐diastolic volume (181 mL at baseline) decreased progressively by 28 mL [p < 0.001]. NYHA class I/II was achieved in 89% of patients (p < 0.001).ConclusionsThe 3‐year results from the CLASP study demonstrated favorable and durable outcomes with the PASCAL transcatheter valve repair system in patients with clinically significant MR. These results add to the growing body of evidence establishing the PASCAL system as a valuable therapy for patients with significant symptomatic MR.