bluuebunny/crossref_metadata_2025_split huggingface dataset:
Revisiting the calculation of thermodynamic parameters of adsorption processes from the modified equilibrium constant of the Redlich–Peterson model
Authors: Tran Hai Nguyen , Thanh Trung Ninh Pham , Lima Eder C , Bollinger Jean‐Claude , Dat Nguyen Duy , Chao Huan‐Ping , Juang Ruey‐Shin 
Published: October 2022

AbstractBACKGROUNDThe adsorption equilibrium constant of the Langmuir model (KL; L mol−1) has been applied as the standard thermodynamic equilibrium constant, , for calculating the thermodynamic parameters (∆G°, ∆S°, and ∆H°) of an adsorption processes by using the van't Hoff equation. Some authors have (directly and indirectly) applied the constant KRP (L kg−1) of the Redlich–Peterson model for such calculations. However, this is an incorrect application because the unit of KRP is not suitable (it is not an equilibrium constant). Its new adsorption equilibrium constant, Ke(RP) (L mol−1), was revisited based on aRP (L mol−1)g. In the literature, there is still uncertainty regarding the application of aRP as for calculating the thermodynamic parameters. Therefore, the present study aimed to evaluate the feasibility of applying Ke(RP) to calculate thermodynamic parameters using available literature data. The thermodynamic parameters obtained from Ke(RP) were compared to those from KL. A case study using a biosorbent for adsorbing methylene blue dye at different temperatures was carried out to re‐verify the feasibility.RESULTSThe Redlich–Peterson model is only valid when its exponent is in a strict range (0 ≤ g ≤ 1). The Redlich–Peterson model (68%; 227 observations collected from 52 published papers) describes adsorption equilibrium datasets better than the Langmuir model. The negative ΔG° values obtained based on Ke(RP) (11.7–47.6 kJ mol−1) were significantly different (p = 2.98 × 10−12) from those on KL (12.2–40.8 kJ mol−1). The magnitudes of ΔH° obtained based on Ke(RP) were significantly different (P < 0.05) to those on KL; however, such differences did not affect conclusions drawn on dominant mechanism adsorption (physical or chemical). The magnitude of ΔH° for chemisorption (involved in covalent bonds) is higher than 200 kJ mol−1. For the case study, the ∆H° (kJ mol−1) and ∆S° [J mol−1 × K−1] values calculated based on Ke(RP) (11.65 and 111.5) were like those on KL (11.34 and 110.4, respectively).CONCLUSIONA new equilibrium constant, Ke(RP) (L mol−1), of the Redlich–Peterson model can be applied as for calculating the thermodynamic parameters (∆G°, ∆S°, and ∆H°) of an adsorption processes under specific cases (i.e., F, H, and L‐shaped adsorption isotherms). Most of the adsorption processes (98%) involve physical adsorption. © 2022 Society of Chemical Industry (SCI).
Scalable copper‐catalyzed preparation of imidazopyridinones from iodopyridinyl ureas
Authors: Rugg Kyle W. , Balk Regina C. , Paolillo Joshua M. , Yerkozhanov Dauzhan , Tampone Thomas G. , Holan Martin , Buono Frederic G. , Reeves Jonathan T. 
Published: October 2022

AbstractThe efficient copper‐catalyzed construction of imidazopyridinones is described. Beginning from iodopyridinyl ureas, Ullmann coupling provides imidazopyridinones in good yield. Manufacturing by this process is described on 473 kg scale; the scope and limitations of substrates is also detailed.
An insight on medicinal attributes of pyrimidine scaffold: An updated review
Authors: Vyas Akshun , Sahu Bhaskar , Pathania Shelly , Nandi Nilay Kumar , Chauhan Gaurav , Asati Vivek , Kumar Bhupinder 
Published: October 2022

AbstractPyrimidine itself or in different fused forms is an important chemical motif for every step of cell life. Alongside, it exists as a key pharmacophoric part in thiamine, alloxan, orotic acid, and other isoforms of nucleotide bases. It has emerged as a privileged scaffold in medicinal chemistry due to its various possible structural and pharmacological attributes. In a number of clinically used chemical agents, pyrimidine or its fused/clubbed form with other moieties act as a key pharmacophore. Structure activity relationship (SAR) studies of the explored derivatives demonstrated that slight modifications with various substitutions on the pyrimidine rings can deviate biological activity to a large extent. 2‐Pyrimidone and 2,4‐pyrimidione derivatives are largely explored by a number of research groups for various pharmacological targets and due to their similarity to nucleotide bases, it has a great impact on the biological profile of these molecules. The current review focuses on describing the recent advancements (2015 onward) in the development of pyrimidine‐based biologically active molecules along with drug candidates under different clinical trials. The aim of this review is to provide structural features associated with pyrimidine along with their SAR studies, which are believed to be valuable for the scientists working on the development of pyrimidine‐based small molecules in the aforementioned disease conditions. We believe that the results of this research will help to provide a structural idea that may be used in the design and development of new pyrimidine‐based small molecules that target a variety of receptors or enzymes.
Evaluation and validation of an RT‐PCR assay for specific detection of monkeypox virus (MPXV)
Authors: Paniz‐Mondolfi Alberto , Guerra Susana , Muñoz Marina , Luna Nicolas , Hernandez Matthew M. , Patino Luz H. , Reidy Jason , Banu Radhika , Shrestha Paras , Liggayu Bernadette , Umeaku Audrey , Chen Feng , Cao Liyong , Patel Armi , Hanna Ayman , Li Sunny , Look Andy , Pagani Nina , Albrecht Randy , Pearl Rebecca , Garcia‐Sastre Adolfo , Bogunovic Dusan , Palacios Gustavo , Bonnier Lucia , Cera Freddy , Lopez Heidi , Calderon Yvette , Eiting Erick , Mullen Karr , Shin Sangyoon Jason , Lugo Luz Amarilis , Urbina Antonio E. , Starks Carlotta , Koo Tonny , Uychiat Patricia , Look Avery , van Bakel Harm , Gonzalez‐Reiche Ana , Betancourt Adolfo Firpo , Reich David , Cordon‐Cardo Carlos , Simon Viviana , Sordillo Emilia M. , Ramírez Juan David 
Published: October 2022

AbstractMonkeypox virus (MPXV) is a zoonotic orthopoxvirus within the Poxviridae family. MPXV is endemic to Central and West Africa. However, the world is currently witnessing an international outbreak with no clear epidemiological links to travel or animal exposure and with ever‐increasing numbers of reported cases worldwide. Here, we evaluated and validated a new, sensitive, and specific real‐time PCR‐assay for MPXV diagnosis in humans and compare the performance of this novel assay against a Food & Drug Administration‐cleared pan‐Orthopox RT‐PCR assay. We determined specificity, sensitivity, and analytic performance of the PKamp™ Monkeypox Virus RT‐PCR assay targeting the viral F3L‐gene. In addition, we further evaluated MPXV‐PCR‐positive specimens by viral culture, electron microscopy, and viral inactivation assays. The limit of detection was established at 7.2 genome copies/reaction, and MPXV was successfully identified in 20 clinical specimens with 100% correlation against the reference method with 100% sensitivity and specificity. Our results demonstrated the validity of this rapid, robust, and reliable RT‐PCR assay for specific and accurate diagnosis of MPXV infection in human specimens collected both as dry swabs and in viral transport media. This assay has been approved by NYS Department of Health for clinical use.
Human monkeypox (hMPXV) re‐emergence: Host immunity status and current vaccines landscape
Authors: Shafaati Maryam , Zandi Milad 
Published: October 2022

AbstractMonkeypox virus is a member of the Orthopoxvirus genus and the Poxviridae family. Orthopoxviruses are among the most intricate animal viruses. The pathogenicity of human monkeypox infection has been emphasized in response to its recent emergence in non‐endemic countries and the threat of bioterrorism. It is always necessary to take appropriate precautions in exposure to emerging or re‐emerging infections. Here, we focus on the current state of the human monkeypox infection outbreak, research & development of immune responses, and clinical interventions to prevent and treat the human monkeypox virus and other human poxviruses.
Surface wind climates in the North China Plain: Implications for air quality
Authors: Hu Xun , Cai Xuhui , Wang Xuesong , Song Yu , Wang Xiaobin , Kang Ling , Zhang Hongsheng 
Published: October 2022

AbstractWind climatology is significant for applications from weather forecasting to air pollution control. Investigation of wind climates in the North China Plain (NCP) region is insufficient yet. Based on hourly observational data at 94 surface weather stations from 2014 to 2020, wind climatic features in the NCP region were examined using statistical and clustering methods. The seasonal average wind speed over this region is the highest in spring (2.7 m·s−1), followed by winter (2.5 m·s−1), and weakest in summer and autumn (2.0 and 1.9 m·s−1). The annual mean wind speed is higher in the mountainous and coastal areas (2.0–2.5 m·s−1) but lower in the plains (1.5–2.0 m·s−1). Mountain–plain/valley winds and sea–land breezes are important in the associated areas. Wind fields in the plains are variable, possibly due to the coexistence of multiple synoptic winds and regional thermal circulations. Monthly mean background wind fields display that northwesterly and southeasterly winds prevail over this region in winter and summer, respectively. Local winds, that is, mountain–plain winds and sea–land breezes, vary diurnally, but a time lag of about 3 hr exists between them. Synoptic winds act as a mediate wind system between local and background winds, being identified into eight patterns using a hierarchical clustering method. Among them, two patterns featuring a weak wind convergence zone along the mountains (36%) and three patterns featuring southerlies (55%) are major synoptic winds in this region.
Viscosity of evaporated soymilk prepared in the laboratory using normal and 11S‐lacking soybean seeds
Authors: Shimoyamada Makoto , Masuda Hayato , Matsuno Masayuki , Murakami Kazuya , Egusa Shintaro 
Published: October 2022

AbstractBACKGROUNDSoymilk is utilized not only as a beverage but also as an alternative to bovine milk, including products such as yoghurt and cream. Evaporated soymilk is expected to be utilized as condensed milk. Raw and heated soymilk samples prepared in our laboratory were evaporated and then subjected to viscosity measurement. The soymilk samples were made from two different varieties: Fukuyutaka, which contains 7S and 11S globulin proteins; and an 11S‐lacking soybean (Nanahomare).RESULTSRaw Fukuyutaka soymilk had a lower viscosity and could be concentrated to a solids content of over 300 g kg−1 compared to heated soymilk (around 250 g kg−1), but the viscosity changes of Nanahomare soymilk showed an opposite trend. Only 7S globulin was denatured during evaporation at 75 °C and likely affected the interaction between proteins and oil bodies. This tendency was remarkable in the Nanahomare soymilk. The strange viscosity change behavior of evaporated Nanahomare soymilk, number of protein particles, intrinsic fluorescence and flow behavior suggest that thermally denatured 7S globulin accelerates the interactions between oil bodies, whereas 11S globulin, which is probably in its native state, suppresses the acceleration by denatured 7S globulin.CONCLUSIONRaw soymilk containing native globulins shows a slower increase in viscosity during evaporation. However, denatured 7S globulin accelerates the increase in viscosity during evaporation through interactions between oil bodies. The effect of the denatured state of individual proteins on interactions is expected to be useful in understanding the interaction between proteins and in controlling their properties and functions. © 2022 Society of Chemical Industry.
Impact of climate change on wheat grain composition and quality
Authors: Zahra Noreen , Hafeez Muhammad Bilal , Wahid Abdul , Al Masruri Muna Hamed , Ullah Aman , Siddique Kadambot H.M. , Farooq Muhammad 
Published: October 2022

AbstractWheat grain quality, an important determinant for human nutrition, is often overlooked when improving crop production for stressed environments. Climate change makes this task more difficult by imposing combined stresses. The scenarios relevant to climate change include elevated CO2 concentrations (eCO2) and extreme climatic events such as drought, heat waves, and salinity stresses. However, data on wheat quality in terms of climate change are limited, with no concerted efforts at the global level to provide an equitable and consistent climate risk assessment for wheat grain quality. Climate change induces changes in the quality and composition of wheat grain, a premier staple food crop globally. Climate‐change events, such as eCO2, heat, drought, salinity stress stresses, heat + drought, eCO2 + drought, and eCO2 + heat stresses, alter wheat grain quality in terms of grain weight, nutrient, anti‐nutrient, fiber, and protein content and composition, starch granules, and free amino acid composition. Interestingly, in comparison with other stresses, heat stress and drought stress increase phytate content, which restricts the bioavailability of essential mineral elements. All climatic events, except for eCO2 + heat stress, increase grain gliadin content in different wheat varieties. However, grain quality components depend more on inter‐varietal difference, stress type, and exposure time and intensity. The climatic events show differential regulation of protein and starch accumulation, and mineral metabolism in wheat grains. Rapid climate shifting impairs wheat productivity and causes grain quality to deteriorate by interrupting the allocation of essential nutrients and photoassimilates. © 2022 Society of Chemical Industry.
Impacts of soybean protein isolate hydrolysates produced at high hydrostatic pressure on gelling properties, structural characteristics, and molecular forces of myofibrillar protein
Authors: Guan Haining , Tian Yanli , Liu Dengyong , Diao Xiaoqin , Feng Chunmei , Xu Xiaojun 
Published: October 2022

AbstractBACKGROUNDSoybean protein isolate hydrolysates (SPIHs) produced at high hydrostatic pressure have higher bioactivity. The aim of the study was to analyze the effects of different SPIH concentrations obtained under various pressures (0.1, 100, 200, and 300 MPa) on gelling properties, structural characteristics, and main forces of myofibrillar protein (MP) in MP‐SPIH plural gels.RESULTSThe MP‐SPIH plural gel with 3% SPIH produced under 200 MPa had the maximum gel strength (0.42 N) and water holding capacity (53.69%). A decline in thermal stability and a rise in storage modulus (G′) of MP‐SPIH plural gels were found with increased SPIH pressure and concentration. Additionally, the addition of SPIHs increased the amounts of α‐helix and β‐sheet, decreased random coil structural content of MP in MP‐SPIH plural gels, and facilitated the generation of a denser and uniform gels network. The molecular forces in MP‐SPIH plural gels were mainly hydrophobic interaction and hydrogen bond.CONCLUSIONThis study showed that the interaction of MP with 3% SPIH obtained at 200 MPa improved the quality of plural gels. © 2022 Society of Chemical Industry.
Biosolids and microorganisms synergistically enhance aggregate stability and organic carbon sequestration of bauxite residue
Authors: Tian Tao , Zhang Yufei , Zhu Feng , Ke Wenshun , Fan Jiarong , Liu Zheng , Xue Shengguo 
Published: October 2022

AbstractWeak aggregate stability and low organic carbon content in bauxite residue restrict ecological rehabilitation. To eliminate these restrictions, a 1‐year column experiment was conducted to investigate the effects of introducing biosolids (BS), biosolids plus microorganisms (BSM) into bauxite residue on the aggregate stability, changes of organic carbon content, and growth of ryegrass (Lolium perenne L.) in bauxite residue. Compared with control group (CK), BS and BSM treatments increased dry‐sieve size distributions of bauxite residue aggregates in 2‐1 and 1‐0.25 mm, mean weight diameter (MWD), particle sizes of aggregates, complex Al oxide, and free Fe oxide in bauxite residue. The average particle sizes in bauxite residue following CK, BS, and BSM treatments after the harvest of plants were obtained to be ~121, ~201, and ~272 nm, respectively. In addition, BS and BSM treatments also increased aggregate‐associated humic substances and carbon content in bauxite residue. The carbon contents in bauxite residue following CK, BS, and BSM treatments after the harvest of plants reached ~18.8%, ~42.9%, and ~67.7%, respectively. The plant height, fresh weight, and dry weight of ryegrass following BSM treatment reached the maximum, which were 27.2 cm, 2.83 g, and 0.28 g, respectively. Results demonstrated that aggregate stability and carbon sequestration of bauxite residue were enhanced following amendment application, and the combined application of biosolids and microorganisms is superior than single BS. This implies that BSM treatment has a potential for plant establishment in bauxite residue disposal areas.
Water regime enhances the effects of flue gas desulfurization gypsum on the reclamation of highly saline‐sodic soil
Authors: Zhang Wenchao , Zhang Wenxin , Zhao Yonggan , Wang Shujuan , Liu Jia , Li Yan 
Published: October 2022

AbstractFlue gas desulfurization (FGD) gypsum‐based reclamation of saline‐sodic soil has been widely used in the Songnen Plain of China, but its reclamation effect depends on the water regime. A pot experiment was conducted to identify the optimal water regimes for reclaiming a highly saline‐sodic soil [pH, electrical conductivity (EC) and exchangeable sodium percentage (ESP) were 10.4, 5.5 dS m‒1 and 68.1%, respectively] by using FGD gypsum. Three water regimes with drainage times [irrigation amounts of 3‐, 5‐, and 7‐times the soil pore volume (PV)] were selected and FGD gypsum was added to a portion of the regimes before the final drainage operation. Then the saline‐sodic parameters of drainage and soil were measured and analyzed. Na+, Cl−, HCO3−, and SO42− were the main ions in the drainage of all the treatments. With the increase in drainage times, the water regime without FGD gypsum notably decreased soil EC by 17.8%–52.0%. In contrast to the FGD gypsum treatment, the water regime failed to decrease the soil ESP. FGD gypsum application with three drainage times had optimal reclamation with reductions in soil pH and ESP of 0.5–2.3 units and 5.1%–20.1%, respectivley. But the associated water consumption was more than 40% higher than that of one‐ or two‐drainage operations. In terms of water reduction (irrigation volume was 5 times PV), sodicity reduction and salt removal (soil pH, ESP, and EC were reduced by 1.7 units, 12.3%, and 1.12 dS m−1), FGD gypsum application with two‐time drainage could be a more suitable measure to reclaim highly saline‐sodic soil.
Thinning promoted the rejuvenation and highly efficient use of soil water for degraded Caragana korshinskii plantation in semiarid loessal regions
Authors: Wang Guohui , Chen Zhixue , Shen Yuying , Yang Xianlong 
Published: October 2022

AbstractHigh‐density afforestation of single‐species causes soil desiccation and vegetation degradation, posing severe challenges for plant rehabilitation, survival and its sustainable soil water use in drought regions. We explored the eco–hydrological responses of density adjustment for a typical degraded Caragana korshinskii plantation on the Chinese Loess Plateau, using 2‐year field observations. The treatments included two thinning intensities [thinning one at an interval of one (T50) and two (T67) shrubs], three pruning intensities [pruning 25% (P25), 50% (P50), and 75% (P75) of branches], and a control treatment (CK). Results indicated that the total soil water storage (0–600 cm) in T50 and T67 was 14.1% and 17.0% higher than that in CK in 2020 (p < 0.05). Treatments T67 and P25 significantly affected the length, basal diameter, and biomass of stems compared with the CK. Moreover, canopy transpiration at the individual–scale in T67 was 43.5% and 37.6% higher in 2019 and 2020 than that in CK (p < 0.05). At the stand–scale, the canopy transpiration in T67 was reduced by 81.2% in 2019 and by 79.2% in 2020 compared with that in CK (p < 0.05), respectively. In 2020, the water use efficiency in T67 was 13.8% and 101.7% higher (p < 0.05) than that in CK and T50, respectively. These observations indicate that thinning the stand density by 67% (T67) promotes plant rejuvenation and improves highly efficient use of soil water for the excessively afforested C. korshinskii plantations on the Loess Plateau. Our findings will guide the rational management of overcrowded C. korshinskii plantations in similar dry regions.
Temporal Dynamics of the Scale for the Assessment and Rating of Ataxia in Spinocerebellar Ataxias
Authors: Moulaire Paul , Poulet Pierre Emmanuel , Petit Emilien , Klockgether Thomas , Durr Alexandra , Ashisawa Tetsuo , Tezenas du Montcel Sophie ,   for the READISCA Consortium
Published: October 2022

AbstractBackgroundThe Scale for the Assessment and Rating of Ataxia (SARA) is the reference clinical scale to assess the severity of cerebellar ataxia. In the context of upcoming therapeutic trials, a reliable clinical outcome is needed to assess the efficiency of treatments.ObjectiveThe aim is to precisely assess and compare temporal dynamics of SARA and a new f‐SARA.MethodsWe analyzed data from four cohorts (EUROSCA, RISCA, CRC‐SCA, and SPATAX) comprising 1210 participants and 4092 visits. The linearity of the progression and the variability were assessed using an ordinal Bayesian mixed‐effect model (Leaspy). We performed sample size calculations for therapeutic trials with different scenarios to improve the responsiveness of the scale.ResultsSeven of the eight different items had a nonlinear progression. The speed of progression was different between most of the items, with an average time for a one‐point increase from 3.5 years [3.4; 3.6] (median, 95% credible interval) for the fastest item to 11.4 [10.9; 12.0] years. The total SARA score had a linear progression with an average time for a one‐point increase of 0.95 [0.92; 0.98] years. After removing the four last items and rescaling all items from 0 to 4, variability increased and progression was slower and thus would require a larger sample size in a future therapeutic trial.ConclusionDespite a heterogeneous temporal dynamics at the item level, the global progression of SARA was linear. Changing the initial scale deteriorates the responsiveness. This new information about the temporal dynamics of the scale should help design the outcome of future clinical trials. © 2022 The Authors.Movement Disorderspublished by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society.