bluuebunny/crossref_metadata_2025_split huggingface dataset:
A conservation genetics perspective on supportive breeding: A case study of the common nase (Chondrostoma nasus)
Authors: Stoeckle Bernhard C. , Mueller Melanie , Nagel Christoffer , Kuehn Ralph , Geist Juergen 
Published: August 2022

Abstract

Supportive breeding programmes are becoming increasingly crucial for the conservation of many declining freshwater fishes such as the European common nase, Chondrostoma nasus. However, small relict populations are genetically highly vulnerable, and supportive breeding can have a detrimental impact on the genetic composition of the cultured offspring (e.g. as a result of inbreeding, genetic drift, and adaptation to captivity).
This study monitored the genetic effects of a continuing supportive breeding programme of common nase by comparing the genetic diversity of two wild spawning populations with the respective wild offspring and the progeny from captive breeding originating from spawners of the two wild populations, considering genetic variability, genetic differentiation, and inbreeding effects using nine microsatellite markers.
Despite low genetic differentiation, the offspring from captive breeding and from one of the natural populations (River Sims) were remarkably different genetically, as indicated by pairwise analyses of genetic divergence (FST from 0.028 to 0.070; Jost's DEST from 0.080 to 0.205) and the discriminant analysis of principal components. The mean number of alleles and mean allelic richness in the captive‐bred offspring and also in the wild offspring of the River Sims were lower than for wild populations of spawners and natural offspring of the River Mangfall, and signs of inbreeding effects were detected (F = 0.106 for captive bred and 0.048 for natural offspring).
The observed effects can probably be attributed to the limited number of spawners (two females and three males) used for captive breeding. In addition, the results support previous evidence on recruitment problems of the Sims population, such as a reduced hatching success.
Collecting fertilized eggs from the wild and rearing them in captivity (repatriation approach) could be an alternative to stripping a limited number of spawners and thereby to improve the conservation of genetic diversity of natural populations.
Rare earth metal‐doped Zintl phase thermoelectric materials: The Yb5−xRExAl2Sb6 (RE=Pr, Nd, Sm) system
Authors: Hong Yeongjin , Yeon Seongbeom , Jeong Jiwon , Moon Dohyun , You Tae‐Soo 
Published: August 2022

AbstractThree Zintl phase solid solutions in the Yb5 − xRExAl2Sb6 (RE = Pr, Nd, Sm) system have successfully been synthesized by arc melting followed by annealing. The isotypic crystal structure of these compounds was characterized by PXRD and SXRD analyses, and their Ca5Al2Bi6‐type structure (space group Pbam, Z = 2) was described as a combination of (1) the 3‐dimensional anionic [Al2(Sb4Sb4/2)] frameworks and (2) the space‐filling cations Yb2+ and RE3+ located in between the anionic frameworks. In particular, the anionic frameworks were originally built from the two neighboring tetrahedral [AlSb4] moieties via the Sb1‐Sb1 bridges. The site‐preference of RE3+ for the Yb3/RE‐site with the mixed occupation ratio between ca. 9% and 16% of RE3+ was elucidated by the size‐factor criterion based on the size match between the cationic size and the site volume. The band structures, density of states, and crystal orbital Hamilton population curve analyses were conducted by the tight‐binding linear muffin‐tin orbital method, and the results proved that the RE3+‐doping increased the band degeneracies and the number of resonance peaks near the Fermi level resulting in the improved Seebeck coefficients. The electrical transport property measurements proved that despite the successful addition of n‐type RE3+ dopants in the title Yb5 − xRExAl2Sb6 system, the electrical conductivity decreased due to the canceling off of the newly added n‐type carriers by the already existing p‐type carriers resulting in still the p‐type character. However, the enhanced Seebeck coefficients predicted by the increased effective mass from the DFT calculations eventually improved the overall power factor of the RE3+‐doped title compounds.
Amyotrophic lateral sclerosis and retinal changes in optical coherence tomography: A systematic review and meta‐analysis
Authors: Nepal Gaurav , Kharel Sanjeev , Coghlan Megan Ariel , Yadav Jayant Kumar , Parajuli Pawan , Pandit Kamal , Shing Yow Ka , Ojha Rajeev 
Published: August 2022

AbstractIntroductionIncreasing evidence suggests Amyotrophic Lateral Sclerosis (ALS) as a widespread pathological process comprising nonmotor features like fatigue, mild sensory symptoms, cognitive decline, and visual impairment. Measurements of retinal nerve fiber layer (RNFL) thickness using Optical Coherence Tomography (OCT) may correlate with the neurodegeneration associated with ALS. In addition to RNFL thickness, other OCT parameters have been explored in the context of diagnosing ALS and predicting disease severity. In this study, we explore the possibility that OCT parameters of patients with ALS may differ significantly from those of healthy controls and thus serve as biomarkers for the disease and its progression.Materials and methodsBetween 2010 and 2021, the PubMed and EMBASE databases were examined for English language literature. ALS severity was assessed using the revised ALS functional rating scale (ALSFRS‐R). The pooled mean differences in RNFL thickness between ALS patients and controls were calculated using the Standard Mean Difference (Hedges's g) with a 95% confidence interval (CI) in STATA software version 16.ResultsEleven studies were reviewed for data collection. RNFL thickness was not statistically significantly different between ALS patients (n = 412) and controls (n = 376) (Hedges's g = –0.22; 95% CI: –0.51 to 0.07, I2 = 73.04%, p = .14). However, the thickness of inner nuclear layer was significantly different between ALS patients and controls (Hedges's g = –0.38; 95% CI: –0.61 to 0.14, I2 = 14.85%, p = .00).ConclusionOur meta‐analysis found that RNFL thickness as a whole or by individual quadrants was not significantly different between ALS patients and controls while the inner nuclear layer (INL) was substantially thinner.
Efficient angiography simulation for complex vessels
Authors: Huang Dongjin , Zhou Shuhua , Zeng Ziyang , Shi Yongsheng 
Published: August 2022

AbstractAngiography simulation is a critical step in virtual interventional surgery. However, the blood vessels are always complex and irregular, which poses a significant challenge to the accuracy and efficiency of simulation. In this paper, we present a novel method to simulate contrast media propagation, which can efficiently and accurately deal with various complex vascular structures and the coupling between blood and contrast media. Our method represents the vascular structures by signed distance functions and to impose boundary conditions, and then we compute the boundary volume by Gauss–Kronrod quadrature, which yields more accurate results even in complex vessels. Furthermore, we improve the simulation's initialization efficiency and real‐time force computational efficiency by precomputing the boundary volume values throughout the vascular structure and saving them to a volume map, which can be queried very efficiently during runtime. Moreover, we add term to the multiple‐fluid model to handle the vascular viscosity, which achieves a more realistic effect. Experiments show that our method obtains more smooth and accurate particle states, and significantly improves initialization efficiency. Finally, we invited 12 clinicians to evaluate the algorithm and verify the clinical value of our algorithm.
Epipolythiodioxopiperazine‐Based Natural Products: Building Blocks, Biosynthesis and Biological Activities
Authors: Huber Eva M. 
Published: August 2022

AbstractEpipolythiodioxopiperazines (ETPs) are fungal secondary metabolites that share a 2,5‐diketopiperazine scaffold built from two amino acids and bridged by a sulfide moiety. Modifications of the core and the amino acid side chains, for example by methylations, acetylations, hydroxylations, prenylations, halogenations, cyclizations, and truncations create the structural diversity of ETPs and contribute to their biological activity. However, the key feature responsible for the bioactivities of ETPs is their sulfide moiety. Over the last years, combinations of genome mining, reverse genetics, metabolomics, biochemistry, and structural biology deciphered principles of ETP production. Sulfurization via glutathione and uncovering of the thiols followed by either oxidation or methylation crystallized as fundamental steps that impact expression of the biosynthesis cluster, toxicity and secretion of the metabolite as well as self‐tolerance of the producer. This article showcases structure and activity of prototype ETPs such as gliotoxin and discusses the current knowledge on the biosynthesis routes of these exceptional natural products.
One‐Pot Chemoenzymatic Synthesis of Microviridin Analogs Containing Functional Tags
Authors: Scholz Stella , Kerestetzopoulou Sofia , Wiebach Vincent , Schnegotzki Romina , Schmid Bianca , Reyna‐González Emmanuel , Ding Ling , Süssmuth Roderich D. , Dittmann Elke , Baunach Martin 
Published: August 2022

AbstractMicroviridins are a prominent family of ribosomally synthesized and posttranslationally modified peptides (RiPPs) featuring characteristic lactone and lactam rings. Their unusual cage‐like architecture renders them highly potent serine protease inhibitors of which individual variants specifically inhibit different types of proteases of pharmacological interest. While posttranslational modifications are key for the stability and bioactivity of RiPPs, additional attractive properties can be introduced by functional tags. To date – although highly desirable – no method has been reported to incorporate functional tags in microviridin scaffolds or the overarching class of graspetides. In this study, a chemoenzymatic in vitro platform is used to introduce functional tags in various microviridin variants yielding biotinylated, dansylated or propargylated congeners. This straightforward approach paves the way for customized protease inhibitors with built‐in functionalities that can help to unravel the still elusive ecological roles and targets of this remarkable class of compounds and to foster applications based on protease inhibition.
A Type III Polyketide Synthase Specific for Sporulating Negativicutes is Responsible for Alkylpyrone Biosynthesis
Authors: Bredy Florian , Ishida Keishi , Hertweck Christian 
Published: August 2022

AbstractGenomic analyses indicate that anaerobic bacteria represent a neglected source of natural products. Whereas a limited number of polyketides have been reported from anaerobes, products of type III polyketide synthases (PKSs) have remained unknown. We found a highly conserved biosynthetic gene cluster (BGC) comprising genes putatively encoding a type III PKS and a methyltransferase in genomes of the Negativicutes, strictly anaerobic, diderm bacteria. By in vivo and in vitro expression of a type III PKS gene, dquA from the oak‐associated Dendrosporobacter quercicolus in E. coli we show production of long‐chain alkylpyrones. Intriguingly, this BGC is specific for sporulating Sporomusaceae but absent in related Negativicutes that do not sporulate, thus suggesting a physiological role.
Strategies for immortalisation of amnion‐derived mesenchymal and epithelial cells
Authors: Ansari Aneesa , Denton Kate M. , Lim Rebecca 
Published: August 2022

AbstractMesenchymal (human amniotic mesenchymal stem cell [HAMSC]) and epithelial cells (human amnion epithelial cell [HAEC]) derived from human amniotic membranes possess characteristics of pluripotency. However, the pluripotency of HAMSC and HAEC are sustained only for a finite period. This in vitro cell growth can be extended by cell immortalisation. Many well‐defined immortalisation systems have been used for artificially overexpressing genes such as human telomerase reverse transcriptase in HAMSC and HAEC leading to controlled and prolonged cell proliferation. In recent years, much progress has been made in our understanding of the cellular machinery that regulates the cell cycle when immortalised. This review summarises the current understanding of molecular mechanisms that contribute to cell immortalisation, the strategies that have been employed to immortalise amnion‐derived cell types, and their likely applications in regenerative medicine.
Plasma‐Assisted Coupling Reactions of Dinitrogen and Carbon Dioxide Mediated by Monometallic YB1–4−⋅Anions: Carbon−Nitrogen Bond Formation
Authors: Chen Zhi‐Ying , Wang Ming , Ma Jia‐Bi 
Published: August 2022

AbstractTransition‐metal catalyzed coupling to form C−N bonds is significant in chemical science. However, the inert nature of N2 and CO2 renders their coupling quite challenging. Herein, we report the activation of dinitrogen in the mild plasma atmosphere by the gas‐phase monometallic YB1–4− anions and further coupling of CO2 to form C−N bonds by using mass spectrometry and theoretical calculation. The observed product anions are NCNBO− and N(BO)2−, accompanied by the formation of neutral products YO and YB0–2NC, respectively. We can tune the reactivity and the type of products by manipulating the number of B atoms. The B atoms in YB1–4N2− act as electron donors in CO2 reduction reactions, and the carbon atom originating from CO2 serves as an electron reservoir. This is the first example of gas‐phase monometallic anions, which are capable to realize the functionalization of N2 with CO2 through C−N bond formation and N−N and C−O bond cleavage.
A Symmetrically π‐Expanded Carbazole Incorporating Fluoranthene Moieties
Authors: Vogel Alexander , Schreyer Till , Bergner John , Rominger Frank , Oeser Thomas , Kivala Milan 
Published: August 2022

AbstractA novel doubly cyclopentannulated carbazole which is accessible through a successive π‐expansion of di(1‐naphthylamine) is disclosed. The carbazole moiety is generated in the final step through intramolecular oxidative coupling. The π‐expansion of carbazole resulted in strongly altered optoelectronic and electrochemical properties. The solid‐state structure features an interesting packing motif with alternating face‐to‐face π⋅⋅⋅π and edge‐to‐face C−H⋅⋅⋅π interactions. The experimental findings were corroborated by theoretical calculations.
Inhibitory Effect of DMSO on Halohydrin Dehalogenase: Experimental and Computational Insights into the Influence of an Organic Co‐solvent on the Structural and Catalytic Properties of a Biocatalyst
Authors: Milčić Nevena , Stepanić Višnja , Crnolatac Ivo , Findrik Blažević Zvjezdana , Brkljača Zlatko , Majerić Elenkov Maja 
Published: August 2022

AbstractAlthough the application of organic solvents in biocatalysis is well explored, in‐depth understanding of the interactions of solvent with proteins, in particular oligomeric ones, is still scant. Understanding these interactions is essential in tailoring enzymes for industrially relevant catalysis in nonaqueous media. In our study, the homotetrameric enzyme halohydrin dehalogenase (HHDH) from Agrobacterium radiobacter AD1 (HheC) was investigated, as a model system, in DMSO/water solvent mixtures. DMSO, the most commonly used co‐solvent for biocatalytic transformations, was found to act as a mixed‐type inhibitor with a prevalent competitive contribution. Even 5 % (v/v) DMSO inhibits the activity of HheC by half. Molecular dynamics (MD) simulations showed that DMSO keeps close to Ser‐Tyr catalytic residues forming alternate H‐bonds with them. Stability measurements paired with differential scanning calorimetry, dynamic light scattering methods and MD studies revealed that HheC maintains its structural integrity with as much as 30 % (v/v) DMSO.
Revealing Phosphorus Nitrides up to the Megabar Regime: Synthesis of α′‐P3N5, δ‐P3N5 and PN2
Authors: Laniel Dominique , Trybel Florian , Néri Adrien , Yin Yuqing , Aslandukov Andrey , Fedotenko Timofey , Khandarkhaeva Saiana , Tasnádi Ferenc , Chariton Stella , Giacobbe Carlotta , Bright Eleanor Lawrence , Hanfland Michael , Prakapenka Vitali , Schnick Wolfgang , Abrikosov Igor A. , Dubrovinsky Leonid , Dubrovinskaia Natalia 
Published: August 2022

AbstractNon‐metal nitrides are an exciting field of chemistry, featuring a significant number of compounds that can possess outstanding material properties. These properties mainly rely on maximizing the number of strong covalent bonds, with crosslinked XN6 octahedra frameworks being particularly attractive. In this study, the phosphorus–nitrogen system was studied up to 137 GPa in laser‐heated diamond anvil cells, and three previously unobserved phases were synthesized and characterized by single‐crystal X‐ray diffraction, Raman spectroscopy measurements and density functional theory calculations. δ‐P3N5 and PN2 were found to form at 72 and 134 GPa, respectively, and both feature dense 3D networks of the so far elusive PN6 units. The two compounds are ultra‐incompressible, having a bulk modulus of K0=322 GPa for δ‐P3N5 and 339 GPa for PN2. Upon decompression below 7 GPa, δ‐P3N5 undergoes a transformation into a novel α′‐P3N5 solid, stable at ambient conditions, that has a unique structure type based on PN4 tetrahedra. The formation of α′‐P3N5 underlines that a phase space otherwise inaccessible can be explored through materials formed under high pressure.
Restrictive Regulation of Ionic Liquid Quaternary Ammonium Salt in SBA‐15 Pore Channel for Efficient Carbon Dioxide Conversion
Authors: Liu Shaoqing , Hou Xueyan , Xu Aihao , Chu Bingxian , Li Yunxi , Jin Lijian , Lu Jinkai , Dong Lihui , Fan Minguang 
Published: August 2022

AbstractHerein, the synthesis of a new type of catalyst, SBA−M (Schiff complex of different metal types grafted on SBA‐15) based on a quaternization reaction, is described. Various amounts of ionic liquid were grafted into the pore channels of SBA‐15 using the post‐grafting method, which allowed the ionic liquid to be grafted into the pore channels restrictively. Notably, over six cycles, SBA−Mn (0.2) has been shown to maintain its catalytic activity and stability. In addition, a reaction mechanism for the cycloaddition of CO2with epoxides based on density‐functional theory is proposed. The cycloaddition reaction of CO2and epoxides is an efficient way of carbon fixation. It is demonstrated that the metal coordinated with the oxygen atom of the epoxides and that a halogen attacked the carbon of epoxides. Moreover, theoretical calculations and synthesis strategy provide a new approach for CO2conversion.
Integrated Process Design and Life Cycle Assessment of Carbon Monoxide Provision from Basic Oxygen Furnace Gas
Authors: Hense Janik , Bachmann Marvin , Polte Lukas , von der Aßen Niklas , Jupke Andreas 
Published: August 2022

AbstractVacuum pressure swing adsorption (VPSA) processes are promising separation technologies to recover valuable compounds from industrial off‐gases. In this work, the separation of CO from basic oxygen furnace gas (BOFG) with a three‐bed VPSA process for high‐purity applications using a dynamic process model is analyzed. The analysis evaluates technical operating ranges for providing 99.9 % pure CO and assesses system‐wide environmental impacts using life cycle assessment. The results show that CO from BOFG as feedstock for chemicals reduces greenhouse gas (GHG) emissions by about 10 % for Germany's current grid mix regardless whether the VPSA process operates at maximum productivity (0.18 Nm3h−1kg−1ads) or maximum recovery (95.7 %). Further reduction in GHG emissions by up to 68 % can be achieved using renewable energy albeit increasing other environmental impacts such as mineral and metal depletion. Overall, VPSA offers a viable, short‐term solution for providing low‐carbon CO from BOFG.
Preparation and characterization of PVA‐g‐GO/PVA/PAN composite membrane for pervaporation desalination
Authors: Zeng Zheng , Yuan Haikuan , Lu Jie 
Published: August 2022

AbstractGraphene oxide (GO) has extensive applications in membrane‐based separations, but its dispersion in the membrane has always been a problem due to the presence of π–π interactions in GO nanosheets. In this study, a grafting reaction was designed by using poly (vinyl alcohol) (PVA) for GO grafting modification and poly (vinyl alcohol)‐g‐graphene oxide (PVA‐g‐GO) nanocomposites were synthesized. The grafting material to GO was the same as the basic separation polymer material. PVA‐g‐GO showed better dispersibility and hydrophilicity than GO, and a series of composite membranes were prepared using a polyacrylonitrile (PAN) ultrafiltration (UF) membrane as a substrate. PVA‐g‐GO nanocomposites and membranes were characterized by using X‐ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier‐transform infrared spectroscopy (FTIR), water contact angle, scanning electron microscopy (SEM), etc. The addition of PVA‐g‐GO improved both the separation performance and anti‐swelling property of the composite membrane, and the PVA‐g‐GO/PVA/PAN composite membrane loaded with 2 wt.% PVA‐g‐GO obtained a high flux of 4.46 kg/m2 · h and a high rejection of 99.99% when dehydrating 3.5 wt.% NaCl solution at 30°C by pervaporation.