bluuebunny/crossref_metadata_2025_split huggingface dataset:
A novel hybrid process design for efficient recovery of hydrophilic ionic liquids from dilute aqueous solutions
Authors: Chen Yuqiu , Liu Xinyan , Lei Yang , Liang Xiaodong , Gani Rafiqul , Kontogeorgis Georgios M. 
Published: August 2023

AbstractIonic liquids (ILs) have received much attention in both academia and industries due to their superior performance in many applications. Efficient recovery/recycling of ILs from their dilute aqueous solutions is essential for the acceptance and implementation of many IL‐based technologies by industry. In this work, a practical and cost‐effective hybrid process design method that combines aqueous two‐phase extraction, membrane separation, and distillation operating at their highest efficiencies is proposed for the recovery of hydrophilic ILs from dilute aqueous solutions. The application of this hybrid process design method is illustrated through case studies of recovering two hydrophilic ILs, n‐butylpyridinium trifluoromethanesulfonate ([C4Py][TfO]) (CAS number: 390423‐43‐5) and 1‐butyl‐3‐methylimidazolium chloride ([C4mIm][Cl]) (CAS number: 79917‐90‐1), from their dilute aqueous solutions. For the recovery of 10 wt.% [C4Py][TfO] from aqueous solution, the hybrid process using (NH4)2SO4 as the salting‐out agent could reduce the total annual cost (TAC) and energy consumption by 57% and 91%, respectively, compared with the pure distillation processes. In the case of recovering 10 wt.% [C4mIm][Cl] from aqueous solution, the reduction in TAC and energy savings of the hybrid process with salting‐out agent (NH4)2SO3 could reach 49% and 87%, respectively, compared with the pure distillation process. Furthermore, uncertainty analysis through Monte Carlo simulations show that the proposed hybrid process design is more robust to uncertainties in energy prices and other material (e.g., equipment and solvent) costs.
Facial cues to physical strength are not always associated with facial masculinity: Comparative study of Europeans and Southern Siberians
Authors: Mezentseva Anna A. , Rostovtseva Victoria V. , Butovskaya Marina L. 
Published: August 2023

AbstractObjectivesThe aim of our study was to compare morphometric patterns of facial sexual dimorphism with strength‐face relationship in members of two distinct populations of European and Central Asian origin: Russians and Tuvans.MethodsHandgrip strength (HGS) measures and facial photographs were collected from Russian (n = 233) and Tuvan (n = 187) men and women. We digitized 70 landmarks and semilandmarks on full‐face and 54 landmarks and semilandmarks on profile photos. This was done to capture variation in facial morphology. After that, we performed the shape regressions of landmarks' coordinates upon sex and HGS. Results were visualized in forms of thin‐plate deformation grids and geometric morphometric morphs.ResultsIn both populations, HGS was associated significantly with male facial shape only. In Russian men, strength‐related changes of facial shape were almost completely in direction of increase in male‐typicality. This was especially evident for the relative lower facial width, which was higher in men compared to women, as well as in stronger men compared to weaker ones. On the contrary, in Tuvans the lower face was relatively narrower in men than in women. However, the facial shape of strong Tuvan men was also associated with relatively wider lower face. Our results indicate that the effect of strength on facial shape is relatively independent of facial sexual dimorphism.ConclusionsOur findings clearly demonstrate that physical strength is associated with the shape of the lower part of male faces even in populations with a mismatched direction of lower face sexual dimorphism.
KOtBu‐Mediated Regioselective Hydroxymethylation of Thiazoles and Benzothiazoles: Synthesis of Biologically Active Heteroaromatic Compounds
Authors: Karmakar Shilpi , Yadav Deepak , Dash Jyotirmayee 
Published: August 2023

AbstractWe present a transition metal‐free direct C‐2 hydroxymethylation of thiazoles using ketones in the presence of KOtBu, leading to the synthesis of thiazole‐2‐diarylcarbinols. The regioselective deprotonation promotes the Csp2−Csp3 bond formation, resulting in the creation of a quaternary centre. The method offers a complementary strategy to traditional cross‐coupling technologies utilizing azole halides and organometallic reagents, thereby expanding the substrate scope. Furthermore, benzothiazoles exhibit compatibility under the mild reaction conditions. Moreover, this method enables the synthesis of thiazolyl diarylcarbinols and bioactive compounds on a multigram scale.
Novel B2 mitogenomes from Continental southern Patagonia's Late Holocene: New insights into the peopling of the Southern Cone
Authors: Arencibia Valeria , Muñoz Marianne , Crespo Cristian M. , Russo M. Gabriela , Vera Pablo , Lia Verónica V. , García Guraieb Solana , Goñi Rafael A. , Avena Sergio , Puebla Andrea , Dejean Cristina B. 
Published: August 2023

AbstractObjectivesThe main aim of this study is to discuss the migratory processes and peopling dynamics that shaped the genetic variability of populations during the settlement of the Southern Cone, through the analysis of complete mitogenomes of individuals from southern Patagonia.Materials and MethodsComplete mitogenomes were sequenced through massively parallel sequencing from two late Holocene individuals (SAC 1‐1‐3 and SAC 1‐1‐4) buried in the same chenque at Salitroso Lake Basin (Santa Cruz province, Argentina). To evaluate matrilineal phylogenetic affinities with other haplotypes, maximum likelihood and Bayesian phylogenetic reconstructions were performed, as well as a haplotype median‐joining network.ResultsThe mitogenomes were assigned to haplogroups B2 and B2b, exhibiting an average depth of 54X and 89X (≥1X coverage of 98.6% and 100%), and a high number of nucleotide differences among them. The phylogenetic analyses showed a relatively close relationship between the haplotype found in SAC 1‐1‐4 and those retrieved from a Middle Holocene individual from Laguna Chica (Buenos Aires province), and from a group of individuals from the Peruvian coast. For the SAC 1‐1‐3, no clear affiliations to any other haplotype were established.DiscussionThe large divergence between the haplotypes presented in this study suggests either a highly variable founder gene pool, or a later enrichment by frequent biological contact with other populations. Our results underline the persistence of genetic signals related to the first waves of peopling in South America, suggesting that the regional settlement of the southern end of the continent has been much more complex than initially thought.
Prevalence of type 2 inflammatory signatures and efficacy of dupilumab in patients with chronic rhinosinusitis with nasal polyps from two phase 3 clinical trials: SINUS‐24 and SINUS‐52
Authors: Bachert Claus , Khan Asif H. , Lee Stella E. , Hopkins Claire , Peters Anju T. , Fokkens Wytske , Praestgaard Amy , Radwan Amr , Nash Scott , Jacob‐Nara Juby A. , Deniz Yamo , Rowe Paul J. 
Published: August 2023

AbstractBackgroundThis post hoc analysis of the international SINUS‐24/‐52 trials (NCT02912468/NCT02898454) aimed to assess dupilumab efficacy in patients with severe chronic rhinosinusitis with nasal polyps (CRSwNP) according to different definitions of type 2 inflammatory signature.MethodsSix definitions of type 2 inflammation were used: ≥150 eosinophils/μL or total immunoglobulin E (IgE) ≥100 IU/mL with a coexisting type 2 condition; ≥150 eosinophils/μL or total IgE ≥100 IU/mL; ≥150 eosinophils/μL; ≥250 eosinophils/μL or total IgE ≥100 IU/mL; coexisting asthma or ≥300 eosinophils/μL; presence of a coexisting type 2 condition. Odds ratios (ORs; dupilumab vs. placebo) for achieving clinically meaningful improvement (≥1 point) from baseline to week 24 (pooled SINUS‐24/‐52) and week 52 (SINUS‐52) were calculated for nasal polyp score (NPS; range 0–8), nasal congestion/obstruction score (NC; 0−3), and loss of smell score (LoS; 0−3).ResultsAt baseline (n = 724), most patients displayed a type 2 inflammatory signature across definitions (64.2%–95.3%). At week 24, ORs for clinically meaningful improvement ranged from 11.9 to 14.9 for NPS across type 2 definitions, 6.5–9.6 for NC, and 12.2–17.8 for LoS (all p < 0.0001). OR ranges were similar or greater at week 52: 19.0–36.6, 7.6–12.1, and 9.2–33.5, respectively (all p < 0.0001).ConclusionMost patients with CRSwNP in the SINUS study had type 2 inflammation. Dupilumab demonstrated robust efficacy across definitions of type 2 inflammation, consistent with its profile as an inhibitor of Interleukin‐4 and Interleukin‐13 signaling, key and central drivers of type 2 inflammation in CRSwNP.Key Points
This study assessed type 2 inflammation prevalence and dupilumab efficacy in chronic rhinosinusitis with nasal polyps according to algorithm‐defined type 2 inflammation
Dupilumab efficacy was similar across all type 2 definitions
An Encodable Scaffold for Sequence‐Specific Recognition of Duplex RNA
Authors: Kwok Jonathan G. , Yuan Zhi , Arora Paramjit S. 
Published: August 2023

AbstractRNA, unlike DNA, folds into a multitude of secondary and tertiary structures. This structural diversity has impeded the development of ligands that can sequence‐specifically target this biomolecule. We sought to develop ligands for double‐stranded RNA (dsRNA) segments, which are ubiquitous in RNA tertiary structure. The major groove of double‐stranded DNA is sequence‐specifically recognized by a range of dimeric helical transcription factors, including the basic leucine zippers (bZIP) and basic helix‐loop‐helix (bHLH) proteins; however, such simple structural motifs are not prevalent in RNA‐binding proteins. We interrogated the high‐resolution structures of DNA and RNA to identify requirements for a helix fork motif to occupy dsRNA major grooves akin to dsDNA. Our analysis suggested that the rigidity and angle of approach of dimeric helices in bZIP/bHLH motifs are not ideal for the binding of dsRNA major grooves. This investigation revealed that the replacement of the leucine zipper motifs in bHLH proteins with synthetic crosslinkers would allow recognition of dsRNA. We show that a model bHLH DNA‐binding motif does not bind dsRNA but can be reengineered as an RNA ligand. Based on this hypothesis, we rationally designed a miniature synthetic crosslinked helix fork (CHF) as a generalizable proteomimetic scaffold for targeting dsRNA. We evaluated several CHF constructs against a set of RNA and DNA hairpins to probe the specificity of the designed construct. Our studies reveal a new class of proteomimetics as an encodable platform for sequence‐specific recognition of dsRNA.
Electric‐Field‐Induced Alignment of Functionalized Carbon Nanotubes Inside Thermally Conductive Liquid Crystalline Polyimide Composite Films
Authors: Ruan Kunpeng , Shi Xuetao , Zhang Yali , Guo Yongqiang , Zhong Xiao , Gu Junwei 
Published: August 2023

AbstractThe positive liquid crystals, 4′‐heptyl‐4‐biphenylcarbonitrile (7CB), are used to functionalize carbon nanotubes (LC‐CNT), which can be aligned in the liquid crystalline polyimide (LC‐PI) matrix under an alternating electric field to fabricate the thermally conductive LC‐CNT/LC‐PI composite films. The efficient establishment of thermal conduction pathways in thermally conductive LC‐CNT/LC‐PI composite films with a low amount of LC‐CNT is achieved through the oriented alignment of LC‐CNT within the LC‐PI matrix. When the mass fraction of LC‐CNT is 15 wt %, the in‐plane thermal conductivity coefficient (λ∥) and the through‐plane thermal conductivity coefficient (λ⊥) of the LC‐CNT/LC‐PI composite films reach 4.02 W/(m ⋅ K) and 0.55 W/(m⋅K), which are 90.5 % and 71.9 % higher than those of the intrinsically thermally conductive LC‐PI films respectively, also 28.8 % and 5.8 % higher than those of the CNT/LC‐PI composite films respectively. Meanwhile, the thermally conductive LC‐CNT/LC‐PI composite films also possess excellent mechanical and heat resistance properties. The Young's modulus and the heat resistance index are 2.3 GPa and 297.7 °C, respectively, which are higher than the intrinsically thermally conductive LC‐PI films and the thermally conductive CNT/LC‐PI composite films under the same amount of CNT.
Artificial Molecular Ratchets: Tools Enabling Endergonic Processes
Authors: Sangchai Thitiporn , Al Shehimy Shaymaa , Penocchio Emanuele , Ragazzon Giulio 
Published: August 2023

AbstractNon‐equilibrium chemical systems underpin multiple domains of contemporary interest, including supramolecular chemistry, molecular machines, systems chemistry, prebiotic chemistry, and energy transduction. Experimental chemists are now pioneering the realization of artificial systems that can harvest energy away from equilibrium. In this tutorial Review, we provide an overview of artificial molecular ratchets: the chemical mechanisms enabling energy absorption from the environment. By focusing on the mechanism type—rather than the application domain or energy source—we offer a unifying picture of seemingly disparate phenomena, which we hope will foster progress in this fascinating domain of science.
Anion‐tethered Single Lithium‐ion Conducting Polyelectrolytes through UV‐induced Free Radical Polymerization for Improved Morphological Stability of Lithium Metal Anodes
Authors: He Yubin , Wang Chunyang , Zou Peichao , Lin Ruoqian , Hu Enyuan , Xin Huolin L. 
Published: August 2023

AbstractSingle Li+ ion conducting polyelectrolytes (SICs), which feature covalently tethered counter‐anions along their backbone, have the potential to mitigate dendrite formation by reducing concentration polarization and preventing salt depletion. However, due to their low ionic conductivity and complicated synthetic procedure, the successful validation of these claimed advantages in lithium metal (Li0) anode batteries remains limited. In this study, we fabricated a SIC electrolyte using a single‐step UV polymerization approach. The resulting electrolyte exhibited a high Li+ transference number (t+) of 0.85 and demonstrated good Li+ conductivity (6.3×10−5 S/cm at room temperature), which is comparable to that of a benchmark dual ion conductor (DIC, 9.1×10−5 S/cm). Benefitting from the high transference number of SIC, it displayed a three‐fold higher critical current density (2.4 mA/cm2) compared to DIC (0.8 mA/cm2) by successfully suppressing concentration polarization‐induced short‐circuiting. Additionally, the t+ significantly influenced the deposition behavior of Li0, with SIC yielding a uniform, compact, and mosaic‐like morphology, while the low t+ DIC resulted in a porous morphology with Li0 whiskers. Using the SIC electrolyte, Li0||LiFePO4 cells exhibited stable operation for 4500 cycles with 70.5 % capacity retention at 22 °C.
Target‐Specific Bioorthogonal Reactions for Precise Biomedical Applications
Authors: Liu Zhengwei , Sun Mengyu , Zhang Wenting , Ren Jinsong , Qu Xiaogang 
Published: August 2023

AbstractBioorthogonal chemistry is a promising toolbox for dissecting biological processes in the native environment. Recently, bioorthogonal reactions have attracted considerable attention in the medical field for treating diseases, since this approach may lead to improved drug efficacy and reduced side effects via in situ drug synthesis. For precise biomedical applications, it is a prerequisite that the reactions should occur in the right locations and on the appropriate therapeutic targets. In this minireview, we highlight the design and development of targeted bioorthogonal reactions for precise medical treatment. First, we compile recent strategies for achieving target‐specific bioorthogonal reactions. Further, we emphasize their application for the precise treatment of different therapeutic targets. Finally, a perspective is provided on the challenges and future directions of this emerging field for safe, efficient, and translatable disease treatment.
The Role of Chemically Innocent Polyanions in Active, Chemically Fueled Complex Coacervate Droplets
Authors: Späth Fabian , Maier Anton S. , Stasi Michele , Bergmann Alexander M. , Halama Kerstin , Wenisch Monika , Rieger Bernhard , Boekhoven Job 
Published: August 2023

AbstractComplex coacervation describes the liquid‐liquid phase separation of oppositely charged polymers. Active coacervates are droplets in which one of the electrolyte's affinity is regulated by chemical reactions. These droplets are particularly interesting because they are tightly regulated by reaction kinetics. For example, they serve as a model for membraneless organelles that are also often regulated by biochemical transformations such as post‐translational modifications. They are also a great protocell model or could be used to synthesize life–they spontaneously emerge in response to reagents, compete, and decay when all nutrients have been consumed. However, the role of the unreactive building blocks, e.g., the polymeric compounds, is poorly understood. Here, we show the important role of the chemically innocent, unreactive polyanion of our chemically fueled coacervation droplets. We show that the polyanion drastically influences the resulting droplets′ life cycle without influencing the chemical reaction cycle–either they are very dynamic or have a delayed dissolution. Additionally, we derive a mechanistic understanding of our observations and show how additives and rational polymer design help to create the desired coacervate emulsion life cycles.
Spectroscopic studies, antimicrobial activity, and computational investigations of hydrazone ligands endowed metal chelates
Authors: Arora Tanisha , Devi Jai , Dubey Amit , Tufail Aisha , Kumar Binesh 
Published: August 2023

Our current efforts are aimed to synthesize 16 complexes of Co (II), Ni (II), Cu (II), and Zn (II) metal ions from heterocyclic hydrazone ligands by condensation reaction of 2,6‐diacetylpyridine with hydrazide derivatives to find out combating agent against microorganism diseases. The synthesized compounds were precisely characterized by various physicochemical and spectroscopic techniques like FT‐IR, UV–Vis, 1H and 13C NMR, magnetic susceptibility, ESR, mass spectrometry, powder XRD, TGA, and SEM that suggested the octahedral geometry of the complexes coordinating via enolic oxygen atoms, azomethine nitrogen atom, pyridine ring nitrogen atom of the hydrazone ligands, and oxygen atom of water molecule. The thermal stability of the complexes was demonstrated by thermal analysis revealing two‐step decompositions leaving behind metal oxide as an end residue. By using serial dilution method, the compounds (1–20) were tested for in vitro antimicrobial activity against four bacterial and two fungal pathogens. Among all the synthesized compounds, complex 16 was most active against B. subtilis, whereas complexes 13, 14, and 15 were most efficient for C. albicans. Moreover, the biological efficacy of H2L3 (3) ligand and its (13–16) complexes were demonstrated by computational methods like molecular docking, MESP, DFT, and ADMET studies that highlight that complexes have more potency than the ligands and may be employed as effective drug for pathogen‐induced malformations.
Exploring seed and meal composition and protein solubility in soybean genotypes from different domestication periods
Authors: Bosaz Lina B. , Alvarez Prado Santiago , Rotundo José L. , Mortera Pablo , Gerde José A. 
Published: August 2023

AbstractTraditionally, commercial soybean breeding has focused on increasing seed yield by crossing elite cultivars and limiting the genetic diversity within commercial germplasm. Wild and ancestral soybean genotypes have higher seed protein concentrations than commercial ones. Different seed protein concentrations and compositions result in diverse functional properties of soybean meal, in particular solubility is important for beverages and protein isolates production. The objectives of our study were (i) to characterize seed protein concentration and composition in genotypes from different soybean domestication periods (types) and (ii) to evaluate the protein concentration and solubility profiles of the defatted meals obtained from these genotypes. Variation within seed and meal protein concentration, composition, and solubility was evident along the domestication process. Wild relative (G. soja) and Elite genotypes had the maximum and minimum seed protein concentrations, respectively (42.9 and 36.3 g 100 g−1). Soybean meal protein concentrations were 55.1, 47.7, 48.4 and 44.1 g 100 g−1 for Wild relative (G. soja), Asian landraces, North American (Nam) ancestors and Elite, respectively. Ample genotypic variation was observed for β‐conglycinin components, such as for β, α, and α′ subunits and for total glycinin and its components. Asian landraces had the highest protein solubility. Wild and ancestral germplasm are a reservoir of useful traits to improve soybean seed quality. This study opens the gates to the introduction of ancestral germplasm to breeding programs focused on protein quality and functionality.
Design, synthesis, and evaluation of high‐performing anticorrosive polyurethane coatings with inbuilt redoxable oligomeric aniline segments
Authors: Paradhakshina Ermiya Prasad , Arukula Ravi , Palanisamy Aruna , Narayan Ramanuj , Rao Chepuri R. K. 
Published: August 2023

AbstractThis paper presents, a facile route for the synthesis of electroactive hybrid polyurethane‐urea's (EPUU) using back‐bone modification with diamine‐capped trianiline (DCTA) and diamine‐capped tetraaniline (DCTAni) oligomers. These EPUUs were loaded with different weight percentages (12.5, 25, and 50) of DCTA and DCTAni and named PU‐DCTA (12.5, 25, and 50) and PU‐DCTAni (12.5, 25, and 50), respectively. The formation of oligomers and their EPUUs were confirmed by using formal characterizations such as FTIR, HRMS, UV–Visible spectroscopies, and electrochemical studies. TGA, DSC, and tensile studies were conducted on the cured films to better understand the structure and property relations. The mechanical and thermal properties of EPUU films are as high as 60.0 MPa tensile strength and T5% at 322°C, and the adhesion strength of 300‐μm films on mild steel was observed as 533 psi. Tafel polarization and electrochemical impedance spectroscopy (EIS) measurements were used to determine these polymers' anti‐corrosive capabilities. An accelerated salt‐spray test that revealed the coatings are stable for up to 600 h when exposed to 5% NaCl fog. The high corrosion resistance observed for PU‐DCTAni was found to be 6.874 × 10−6 mm/year from the Tafel polarization test, and its high polarization resistance was found to be up to 55.912 MΩ.