bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heat stress changes mineral nutrient concentrations inChenopodium quinoaseed
Authors: Tovar Jose C. , Berry Jeffrey C. , Quillatupa Carlos , Castillo S. Elizabeth , Acosta‐Gamboa Lucia , Fahlgren Noah , Gehan Malia A. 
Published: February 2022

AbstractQuinoa is a popular seed crop, often consumed for its high nutritional quality. We studied how heat stress in the roots or the shoots of quinoa plants affected the concentrations of 20 elements (aluminum, arsenic, boron, calcium, cadmium, cobalt, copper, iron, potassium, magnesium, manganese, molybdenum, sodium, nickel, phosphorous, rubidium, sulfur, selenium, strontium, and zinc) in quinoa seed. Elemental concentrations in quinoa seed were significantly changed after an 11‐day heat treatment during anthesis. The type of panicle (main, secondary, and tertiary) sampled and the type of heat treatment (root only, shoot only, or whole plants) significantly affected elemental profiles in quinoa seed. Plants were also divided into five sections from top to bottom to assess the effect of panicle position on seed elemental profiles. Plant section had an effect on the concentrations of arsenic, iron, and sodium under control conditions and on copper with heat treatment. Overall, the time of panicle development in relation to the time of heat exposure had the largest effect on seed elemental concentrations. Interestingly, the quinoa plants were exposed to heat only during anthesis of the main panicle, but the elemental concentrations of seeds produced after heat treatment ended were still significantly changed, indicating that heat stress has long‐lasting effects on quinoa plants. These findings demonstrate how the nutritional quality of quinoa seeds can be changed significantly even by relatively short heat spells.
Registration of ‘Ho 05‐961’ sugarcane
Authors: Todd J. R. , Hale A. L. , Pan Y.‐B. , Tew T. L. , White W. H. , Dufrene E. O. , Duet M. J. , Verdun D. L. , Spaunhorst D. J. , Dalley C. D. , Grisham M. P. , Wilson B. E. , Gravois K. A. , Jackson W. R. 
Published: February 2022

Abstract‘Ho 05‐961’ (Reg. no. CV‐207, PI 699490) sugarcane (interspecific hybrids of Saccharum spp.) was evaluated and selected by scientists at the USDA‐ARS, working cooperatively with the Louisiana State University Agricultural Center and the American Sugar Cane League, Inc. It was released to growers in Louisiana in 2012. The cultivar was tested across the crop cycle (plant cane and first and second ratoons) at 11 farm locations and compared with HoCP 96‐540, the most widely grown cultivar in Louisiana at that time. The sucrose yield (Mg ha−1) of Ho 05‐961 was equivalent to HoCP 96‐540. Ho 05‐961 had sucrose content significantly higher for each crop, indicating moderately early maturity. The cultivar is moderately resistant to smut, brown rust, and leaf scald. HoCP 05‐961 is moderately susceptible to sugarcane mosaic caused by Sorghum mosaic virus and orange rust. It is moderately resistant to the sugarcane borer, Diatraea saccharalis F., and moderately responsive to glyphosate ripener. The high sucrose content of Ho 05‐961 makes it a useful addition to current commercial sugarcane cultivars available for Louisiana.
Estimands in observational studies: Some considerations beyondICH E9(R1)
Authors: Li Heng , Wang Chenguang , Chen Wei‐Chen , Lu Nelson , Song Changhong , Tiwari Ram , Xu Yunling , Yue Lilly Q. 
Published: February 2022

AbstractThe document ICH E9 (R1) has brought much attention to the concept of estimand in the clinical trials community. ICH stands for International Conference for Harmonization. In this article, we draw attention to one facet of estimand that is not discussed in that document but is crucial in the context of observational studies, namely weighting for covariate balance. How weighting schemes are connected to estimand, or more specifically to one of its five attributes identified in ICH E9 (R1), the attribute of population, is illustrated using the Rubin Causal Model. Three estimands are examined from both theoretical and practical perspectives. Factors that may be considered in choosing among these estimands are discussed.
Curcumin nanoformulations: Beneficial nanomedicine against cancer
Authors: Maleki Dizaj Solmaz , Alipour Mahdieh , Dalir Abdolahinia Elaheh , Ahmadian Elham , Eftekhari Aziz , Forouhandeh Haleh , Rahbar Saadat Yalda , Sharifi Simin , Zununi Vahed Sepideh 
Published: February 2022

AbstractCurcumin is a phytochemical achieved from the plant turmeric. It is extensively utilized for the treatment of several types of diseases such as cancers. Nevertheless, its efficiency has been limited because of rapid metabolism, low bioavailability, poor water solubility, and systemic elimination. Scientists have tried to solve these problems by exploring novel drug delivery systems such as lipid‐based nanoparticles (NPs) (e.g., solid lipid NPs, nanostructured lipid carriers, and liposomes), polymeric NPs, micelles, nanogels, cyclodextrin, gold, and mesoporous silica NPs. Among these, liposomes have been the most expansively studied. This review mainly focuses on the different curcumin nanoformulations and their use in cancer therapy in vitro, in vivo, and clinical studies. Despite the development of curcumin‐containing NPs for the treatment of cancer, potentially serious side effects, including interactions with other drugs, some toxicity aspects of NPs may occur that require more high‐quality investigations to firmly establish the clinical efficacy.
Tenuifolin ameliorates chronic restraint stress‐induced cognitive impairment in C57BL/6J mice
Authors: Wang Haixia , Huang Hong , Jiang Ning , Zhang Yiwen , Lv Jingwei , Liu Xinmin 
Published: February 2022

AbstractThe general consensus is that stress affects the central nervous system and can lead to cognitive problems. The root of Polygala tenuifolia (P. tenuifolia) is a well‐known traditional Chinese medicine used for improving brain function. Tenuifolin (TEN) is the major constituent of P. tenuifolia and has a promising neuroprotective property. The purpose of this study was to investigate the alleviating effect of TEN on cognitive impairment induced by chronic restraint stress (CRS) and its mechanism. Our results showed that CRS exposure resulted in impaired cognitive performance in C57BL/6J mice, as indicated by decreased responses in Y‐maze, novel objects recognition, and step‐through passive avoidance tests. TEN treated daily orally (10 and 20 mg/kg) for 30 days reversed these behavior changes. Meanwhile, TEN could significantly regulate interleukin (IL)‐6 and IL‐10 levels in the hippocampus. TEN inhibited the toll‐like receptor 4/nuclear factor‐kappa B‐mediated inflammation, as well as adrenocorticotropic hormone and corticosterone levels in serum. Most importantly, we found that TEN also upregulated the expressions of brain‐derived neurotrophic factor, tropomyosin kinase B, glucocorticoid receptor, glutamate receptor 1, and synapse‐associated proteins. Collectively, these data suggest that TEN has a potential improvement effect on memory loss caused by CRS.
Direct multiclass desorption electrospray ionization–tandem mass spectrometry method for the analysis of sleep inducers and ototoxic drugs in dried blood spots
Authors: Mainero Rocca Lucia , L’Episcopo Nunziata , Gordiani Andrea , Staderini Alessandro 
Published: February 2022

RationaleAn unconventional and innovative approach for the quantitative determination of 11 ototoxic and narcoleptic drugs in whole blood is described. The multiclass method allows the inclusion of the most widespread drugs on the market (antihistamines, antidepressants, antihypertensives, anxiolytics, opioids, Z‐drugs) responsible for 10% of occupational accidents.MethodsThe developed procedure involved the use of the desorption electrospray ionization (DESI) interface for the direct analysis of dried blood spots (DBS). All the issues strictly connected to the chemical–physical characteristics of DBS and DESI (sample inhomogeneity, DBS support, DESI geometry and solvent) were carefully evaluated and innovative strategies were applied. Haematocrit was managed using a small and measured volume of blood (2 μL) with analysis of the entire DBS.ResultsThe proposed method was fully validated in terms of limits of detection, limits of quantitation (LOQs; between 60 pg/mm2 and 1.6 ng/mm2), linearity (one order of magnitude starting from LOQs) and inter‐ and intra‐day precision (on three levels, with relative standard deviation values not exceeding 17%). Accuracy was calculated by comparison with an ultrahigh‐performance liquid chromatography–tandem mass spectrometry method (suitable also as a confirmatory method).ConclusionsResults showed a surprising sensitivity, demonstrating that this procedure could be suitable for applications in various fields, e.g. forensic analysis. Moreover, as a collateral benefit, it was discovered that the method is able to analyse very light traces left on plastic and glass surfaces by detached dried blood.
A review of draft Environmental Protection Agency Method 1633: A data user's perspective
Authors: Denly Elizabeth , Morin Kristen 
Published: February 2022

AbstractCurrently, the availability of multilaboratory‐validated analytical methods for per‐ and polyfluoroalkyl substances (PFAS) is limited. Two of the more commonly known methods are the finalized United States Environmental Protection Agency (EPA) methods for the analysis of select PFAS in drinking water samples, EPA 537.1, Determination of Selected Per‐ and Polyfluorinated Alkyl Substances in Drinking Water by Solid Phase Extraction and Liquid Chromatography/Tandem Mass Spectrometry (LC/MS/MS) (EPA 600‐R‐20‐006) and EPA 533, Determination of Per‐ And Polyfluoroalkyl Substances in Drinking Water by Isotope Dilution Anion Exchange Solid Phase Extraction and Liquid Chromatography/Tandem Mass Spectrometry (EPA 815‐B‐19‐020) These two methods were developed specifically for drinking water samples, which generally do not have matrix interferences and are generally an easier matrix to analyze. EPA also finalized SW‐846 Method 8327, Per‐ and Polyfluoroalkyl Substances (PFAS) by Liquid Chromatography/Tandem Mass Spectrometry (LC/MS/MS), which covers the analysis of select PFAS in nonpotable water matrices. However, one of the critical deficiencies in this method is the lack of the gold standard for quantitation, isotope dilution, which has become a critical necessity for the analysis of PFAS in nondrinking water matrices to accommodate for potential matrix interferences. In addition, the United States Department of Defense (DoD) Environmental Data Quality Workgroup (EDQW) has stated that SW‐846 Method 8327 should only be used as a screening method and should not be used for the collection of definitive data. The release of Draft EPA Method 1633, Analysis of Per‐and Polyfluoroalkyl Substances (PFAS) in Aqueous, Solid, Biosolids, and Tissue Samples by LC‐MS/MS (EPA 821‐D‐21‐001), for nonpotable water matrices, is a first step toward providing the laboratory community with a standardized method that can provide accurate results for PFAS in nonpotable water matrices.
A novel system based on artificial intelligence for predicting blastocyst viability and visualizing the explanation
Authors: Enatsu Noritoshi , Miyatsuka Isao , An Le My , Inubushi Miki , Enatsu Kunihiro , Otsuki Junko , Iwasaki Toshiroh , Kokeguchi Shoji , Shiotani Masahide 
Published: February 2022

AbstractPurposeThe purpose of the study was to invent and evaluate the novel artificial intelligence (AI) system named Fertility image Testing Through Embryo (FiTTE) for predicting blastocyst viability and visualizing the explanations via gradient‐based localization.MethodsThe authors retrospectively analyzed 19 342 static blastocyst images with related inspection histories from 9961 infertile patients who underwent in vitro fertilization. Among these data, 17 984 cycles of single‐blastocyst transfer were used for training, and data from 1358 cycles were used for testing purposes.ResultsThe prediction accuracy for clinical pregnancy achieved by a control model using conventional Gardner scoring system was 59.8%, and area under the curve (AUC) was 0.62. FiTTE improved the prediction accuracy by using blastocyst images to 62.7% and AUC of 0.68. Additionally, the accuracy achieved by an ensemble model using image plus clinical data was 65.2% and AUC was 0.71, representing an improvement in prediction accuracy. The visualization algorithm showed brighter colors with blastocysts that resulted in clinical pregnancy.ConclusionsThe authors invented the novel AI system, FiTTE, which could provide more precise prediction of the probability of clinical pregnancy using blastocyst images secondary to single embryo transfer than the conventional Gardner scoring assessments. FiTTE could also provide explanation of AI prediction using colored blastocyst images.
Clinical relevance of a newly developed endometrial receptivity test for patients with recurrent implantation failure in Japan
Authors: Ohara Yasuhiro , Matsubayashi Hidehiko , Suzuki Yosuke , Takaya Yukiko , Yamaguchi Kohei , Doshida Masakazu , Takeuchi Takumi , Ishikawa Tomomoto , Handa Mika , Miyake Tatsuya , Takiuchi Tsuyoshi , Kimura Tadashi 
Published: February 2022

AbstractPurposeTo assess the clinical efficacy of personalized embryo transfer (pET) guided by a new endometrial receptivity test, ERPeakSM, in patients with recurrent implantation failure (RIF).MethodsRecurrent implantation failure patients of all ages at two private Japanese clinics from April 2019 to June 2020 were retrospectively analyzed. The intervention group (n = 244) received pET in accordance with endometrial receptivity testing results and was compared to control group (n = 306) receiving standardized timing, non‐personalized embryo transfer (npET). In propensity score matching analysis, the clinical pregnancy rate (CPR) and live birth rate (LBR) were compared between groups, and a subanalysis of advanced maternal age (AMA) (≥38 years old) versus non‐AMA (<38 years old) patients was also conducted.ResultsThe CPR and LBR of the pET group were significantly higher than those of the npET group (37.7% vs. 20.0%, adjusted OR: 2.64; 95%CI, 1.70–4.11, p < 0.001 and 29.9% vs. 9.7%, adjusted OR: 4.13; 95%CI, 2.40–7.13, p < 0.001, respectively). Furthermore, in the subanalyses, the CPR and LBR of the pET group were significantly higher than those of the npET group in both the AMA non‐AMA patients.ConclusionsThe new ERPeakSM endometrial receptivity test is a useful alternative diagnostic tool for poor‐prognosis patients, regardless of age.
Interfacial Electron Transfer Strategy to Improve the Hydrogen Evolution Catalysis of CrP Heterostructure
Authors: Sarkar Bidushi , Parui Arko , Das Debanjan , Singh Abhishek Kumar , Nanda Karuna Kar 
Published: February 2022

AbstractThough several Pt‐free hydrogen evolution reaction (HER) catalysts have been reported, their employment for industry is challenging. Here, a facile pyrolysis method to obtain phase‐pure CrP nanoparticles supported on N, P dual‐doped carbon (CrP/NPC) is reported to be tuned toward industrial HER. Interestingly, CrP/NPC exhibits excellent HER activity that requires an overpotential of 34 mV to attain a current density of 10 mA cm−2, which is only 1 mV positive to commercial Pt/C and a potential of 55 mV to achieve a current density of 200 mA cm−2 which is better than Pt/C. In addition, the long‐term durability of CrP/NPC is far superior to Pt/C due to the strong interaction between CrP and C support, restricting any agglomeration or leaching. Density functional theory (DFT) calculations suggest that electronic modulation at the interface (CrP/NPC) optimizes the hydrogen adsorption energy. The Cr–Cr bridge site with required density of states near the Fermi level is found to be the active site. Overall, this report provides a practical scheme to synthesize rarely investigated CrP based materials along with a computational mechanistic guideline for electrocatalysis that can be utilized to explore other phosphides for various applications.
Tailoring the Surface and Interface Structures of Copper‐Based Catalysts for Electrochemical Reduction of CO2 to Ethylene and Ethanol
Authors: Zhang Ziyang , Bian Lei , Tian Hao , Liu Yuan , Bando Yoshio , Yamauchi Yusuke , Wang Zhong‐Li 
Published: February 2022

AbstractElectrochemical CO2 reduction to valuable ethylene and ethanol offers a promising strategy to lower CO2 emissions while storing renewable electricity. Cu‐based catalysts have shown the potential for CO2‐to‐ethylene/ethanol conversion, but still suffer from low activity and selectivity. Herein, the effects of surface and interface structures in Cu‐based catalysts for CO2‐to‐ethylene/ethanol production are systematically discussed. Both reactions involve three crucial steps: formation of CO intermediate, CC coupling, and hydrodeoxygenation of C2 intermediates. For ethylene, the key step is CC coupling, which can be enhanced by tailoring the surface structures of catalyst such as step sites on facets, Cu0/Cuδ+ species and nanopores, as well as the optimized molecule–catalyst and electrolyte–catalyst interfaces further promoting the higher ethylene production. While the controllable hydrodeoxygenation of C2 intermediate is important for ethanol, which can be achieved by tuning the stability of oxygenate intermediates through the metallic cluster induced special atomic configuration and bimetallic synergy induced the double active sites on catalyst surface. Additionally, constraining CO coverage by the complex–catalyst interface and stabilizing CO bond by N‐doped carbon/Cu interface can also enhance the ethanol selectivity. The structure–performance relationships will provide the guidance for the design of Cu‐based catalysts for highly efficient reduction of CO2.
Systematic Engineering on Ni‐Based Nanocatalysts Effectively Promote Hydrogen Evolution Reaction
Authors: Liu Jiao , Wang Zuochao , Zhang Dan , Qin Yingnan , Xiong Juan , Lai Jianping , Wang Lei 
Published: February 2022

AbstractDesigning a synthesis of ultra‐small Ni‐based nanomaterials with high intrinsic activity and stability in alkaline hydrogen evolution reaction (HER) is a major challenge. Herein, a series of noble metal doped ultra‐small size (4 nm) M‐Ni/NiO nanoparticles supported on CNT are rationally designed by a solvent‐free microwave reduction method that is fast (60 s), simple, includes no surfactants, extensive (>1 g), and has high yield (82.7%). The Ir‐Ni/NiO@CNT has superior performance with a low overpotential of 24.6 mV at 10 mA cm−2. In addition, the turnover frequency (TOF) value up to 2.51 s−1 and the exchange current density reaches 4.34 mA cm−2, indicating that the catalyst has better intrinsic catalytic activity. It is further proved by density functional theory (DFT) that the NiO surface is conducive to the adsorption of OH* in the Volmer step while the Ni is inclined to adsorb H*, which synergistically promotes the water‐splitting reaction, thereby increasing the catalytic rate of HER. It is believed that this work will provide valuable contributions and inspirations toward the large‐scale production of high‐performance Ni‐based electrocatalysts for HER.
Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity
Authors: Suresh Cherumuttathu H. , Remya Geetha S. , Anjalikrishna Puthannur K. 
Published: February 2022

AbstractThe molecular electrostatic potential (MESP) V(r) data derived from a reliable quantum chemical method has been widely used for the interpretation and prediction of various aspects of chemical reactivity. A rigorous mapping of the MESP topology is achieved by computing both ∇V(r) data and the elements of the Hessian matrix at the critical points where ∇V(r) = 0. In the MESP topology, intra‐ and inter‐molecular bonded regions show the characteristic (3, −1) bond critical points (BCPs) while the electron‐rich regions such as lone pair and π‐bonds show (3, +3) minimum (Vmin) CPs. The Vmin analysis provides a simple and powerful technique to characterize the electron‐rich region in a molecular system as it corresponds to the condensed information of the wave function at this point due to the nuclei and electronic distribution through the Coulomb's law. The Vmin analysis has been successfully applied to explain the phenomena related to chemical reactivity such as π‐conjugation, aromaticity, substituent effect, ligand electronic effects, trans‐influence, redox potential, activation energy, cooperativity, noncovalent interactions, and so on. The MESP parameters ∆Vmin and ∆Vn, derived for arene systems have been used as powerful measures of substituent effects while Vmin at the lone pair region of ligands has been used as a reliable electronic parameter to assess their σ‐donating ability to metal centers. Furthermore, strong predictions on the intermolecular interactive behavior of molecular systems can be made from MESP topology studies. This review summarizes the chemical reactivity applications offered by MESP topology analysis for a large variety of organic, organometallic, and inorganic molecular systems.This article is categorized under:
Molecular and Statistical Mechanics > Molecular Interactions
Structure and Mechanism > Reaction Mechanisms and Catalysis
Structure and Mechanism > Molecular Structures
New Pb(II)‐Ammine complexes as intermediates from the interaction of CH3NH2 with PbX2 and CH3NH3PbX3 (X=Cl, Br)
Authors: Krummer Michael , Daub Michael , Hillebrecht Harald 
Published: February 2022

AbstractIn continuation of our investigations of the “molten salt approach” for MAPbI3, we now report on the interaction of gaseous CH3NH2 with PbX2 (X=Cl, Br) and MAPbX3 (X=Cl, Br). We have characterized cubic [Pb(CH3NH2)6]Br2 with a close similarity to the K2PtCl6 type and partially disordered octahedra [Pb(CH3NH2)6]2+. Release of CH3NH2 yields Pb(CH3NH2)3Br2. Here Pb2+ is octahedrally coordinated by 3 CH3NH2 ligands and 3 Br− as a fac‐isomer. Charge neutrality is achieved by one terminal and two bridging Br− forming edge‐sharing dimers. For the chloride there is only a partial exchange of the halide ligands. Pb(CH3NH2)2Cl2, with a novel cubic structure, shows two different octahedra: PbCl6 and Pb(CH3NH2)3Cl3. Pb(CH3NH2)3Cl2 is closely related to Pb(CH3NH2)3Br2, i. e. Pb(CH3NH2)3Cl3 octahedra in fac‐geometry with one terminal and two bridging Cl−, but herez the polyhedra form a linear chain. In all representatives with mixed ligands the interaction with X− is significantly weaker than with CH3NH2. H‐bridges N−H⋅⋅⋅X contribute to the interaction between the Pb(CH3NH2)3X3 units. All compounds decompose in air to Pb(OH)X and MAPbX3 (X=Cl, Br).