Miracle-dz/UniFAR-FTUs huggingface dataset:
A spectroscopic study of solvent effects on the formation of Cu(II)-chloride complexes in aqueous solution.

A combination of electronic (UV-vis) and X-ray absorption (EXAFS, XANES) spectroscopies has been used to investigate the formation of copper(ii)/chloride complexes in concentrated aqueous solutions. It is established that lowering the water activity by the addition of Mg(ClO4)2 at a constant Cl-/Cu(ii) ratio results in the replacement of water molecules by Cl- ions in the primary coordination shell of Cu(ii). This behavior closely parallels the effect of increasing the Cl-/Cu(ii) ratio and demonstrates that full understanding of the stoichiometry and structures of the complexes formed in concentrated metal-ion chloride solutions requires explicit consideration of the role of the solvent.
Climatic effects on niche evolution in a passerine bird clade depend on paleoclimate reconstruction method

Climatic niches describe the climatic conditions in which species can persist. Shifts in climatic niches have been observed to coincide with major climatic change, suggesting that species adapt to new conditions. We test the relationship between rates of climatic niche evolution and paleoclimatic conditions through time for 65 Old‐World flycatcher species (Aves: Muscicapidae). We combine niche quantification for all species with dated phylogenies to infer past changes in the rates of niche evolution for temperature and precipitation niches. Paleoclimatic conditions were inferred independently using two datasets: a paleoelevation reconstruction and the mammal fossil record. We find changes in climatic niches through time, but no or weak support for a relationship between niche evolution rates and rates of paleoclimatic change for both temperature and precipitation niche and for both reconstruction methods. In contrast, the inferred relationship between climatic conditions and niche evolution rates depends on paleoclimatic reconstruction method: rates of temperature niche evolution are significantly negatively related to absolute temperatures inferred using the paleoelevation model but not those reconstructed from the fossil record. We suggest that paleoclimatic change might be a weak driver of climatic niche evolution in birds and highlight the need for greater integration of different paleoclimate reconstructions.
Detection and determination of furfural in crude palm oil

In the palm oil mill, fresh fruit bunch (FFB) undergoes various thermal and mechanical treatments to produce the crude palm oil (CPO). FFB consists of many fruits attached to the spikelets that are spirally arranged on the main bunch stalk. Each fruit is made up of a nut enveloped by the fleshy mesocarp, which is reinforced by strands of fibers running from the base towards the fruit tip. A ripe fruit mesocarp contains oil-rich cellulosic cells. These cells are bound together by hemicellulose. Whilst cellulose is very stable, the hemicellulose is easily hydrolyzed. This hydrolysis occurs during sterilization of the FFB when it is exposed to temperatures of 140-145°C and pressure of 40-45 pound per square inch (psi) or 275.8-310.3 kPa for 1-1½ hours. This condition aims at and ensures the detachment of fruits from the bunch. The in-depth chemical changes that occur in the FFB during sterilization are not fully understood and continuously being investigated. Xyloses form one of the products of hydrolysis, and furfural is another product that results from the dehydration of pentose formed also upon the hydrolysis of hemicellulose. Presence of furfural was tested in six extracted samples, namely CPO, mill-pressed crude, condensate oil, sludge oil, sterilized FFB oil and unsterilized FFB oil, using aniline acetate colorimetric method, thin-layer chromatography (TLC) and UV-visible spectrophotometry. The color formation was compared to that of standard furfural. Furfural was detected in CPO, crude, condensate oil, sludge oil and sterilized FFB oil, while it was undetected in the unsterilized FFB. The amount of furfural was quantified in CPO, condensate oil and sludge oil using high-performance liquid chromatography (HPLC).
A comprehensive review of the therapeutic potential of α‐arbutin

Cosmetic dermatology preparations such as bleaching agents are ingredients with skin‐related biological activities for increasing and improving skin beauty. The possibility of controlling skin hyperpigmentation disorders is one of the most important research goals in cosmetic preparations. Recently, cosmetics containing herbal and botanical ingredients have attracted many interests for consumers of cosmetic products because these preparations are found safer than other preparations with synthetic components. However, high‐quality trial studies in larger samples are needed to confirm safety and clinical efficacy of phytotherapeutic agents with high therapeutic index. Arbutin (p‐hydroxyphenyl‐β‐d‐glucopyranoside) is a bioactive hydrophilic polyphenol with two isomers including alpha‐arbutin (4‐hydroxyphenyl‐α‐glucopyranoside) and β‐arbutin (4‐hydroxyphenyl‐β‐glucopyranoside). It is used as a medicinal plant in phytopharmacy. Studies have shown that alpha‐arbutin is 10 times more effective than natural arbutin. A comparison of IC50 values showed that α‐arbutin (with concentration 2.0 mM) has a more potent inhibitory activity on human tyrosinase against natural arbutin (with higher concentration than 30 mM). A review of recent studies showed that arbutin could be beneficial in treatment of various diseases such as hyperpigmentation disorders, types of cancers, central nervous system disorders, osteoporosis, diabetes, etc. This study was designed to describe the therapeutic efficiencies of arbutin.
Evading resistance to gene drives

Abstract Gene drives offer the possibility of altering and even suppressing wild populations of countless plant and animal species, and CRISPR technology now provides the technical feasibility of engineering them. However, population-suppression gene drives are prone to select resistance, should it arise. Here, we develop mathematical and computational models to identify conditions under which suppression drives will evade resistance, even if resistance is present initially. Previous models assumed resistance is allelic to the drive. We relax this assumption and show that linkage between the resistance and drive loci is critical to the evolution of resistance and that evolution of resistance requires (negative) linkage disequilibrium between the two loci. When the two loci are unlinked or only partially so, a suppression drive that causes limited inviability can evolve to fixation while causing only a minor increase in resistance frequency. Once fixed, the drive allele no longer selects resistance. Our analyses suggest that among gene drives that cause moderate suppression, toxin-antidote systems are less apt to select for resistance than homing drives. Single drives of moderate effect might cause only moderate population suppression, but multiple drives (perhaps delivered sequentially) would allow arbitrary levels of suppression. The most favorable case for evolution of resistance appears to be with suppression homing drives in which resistance is dominant and fully suppresses transmission distortion; partial suppression by resistance heterozygotes or recessive resistance are less prone to resistance evolution. Given that it is now possible to engineer CRISPR-based gene drives capable of circumventing allelic resistance, this design may allow for the engineering of suppression gene drives that are effectively resistance-proof.
Reactivity of calcium phosphate nanoparticles prepared by flame spray synthesis as precursors for calcium phosphate cements

Flame-spray synthesis was used to produce calcium phosphate nanoparticles with a Ca/P molar ratio in the range of 0.5 to 2.0. The use of these powders as raw material for calcium phosphate cements was then assessed. Various characterization techniques revealed that prepared particles consisted of white spheres, had a diameter in the range of 20–30 nm, and formed loose agglomerates. The composition varied from acidic to basic calcium phosphates when the Ca/P molar ratio was increased from 0.5 to 2.0. At the lowest ratio, monocalcium phosphate monohydrate (MCPM) and dicalcium phosphate dihydrate (DCPD) were detected, whereas hydroxyapatite was found at the highest Ca/P molar ratio. All but one of the powders (Ca/P molar ratio = 2.0) reacted with water to form a more crystalline phase. The reaction was highly exothermic and proceeded within a few hours. The reaction product ranged from MCPM/DCPD to hydroxyapatite depending on the initial Ca/P molar ratio. These results suggest that new calcium phosphate cements can be attained using these powders produced by flame-spray synthesis.
Effects of celecoxib augmentation of antidepressant or anxiolytic treatment on affective symptoms and inflammatory markers in patients with anxiety disorders: exploratory study

Prolonged stress has been associated with elevated levels of circulating proinflammatory cytokines. Cyclo-oxygenase-2 inhibitors such as celecoxib exert anti-inflammatory effects and may enhance the response to antidepressant drug treatment in patients with depressive disorders, but their effect on anxiety symptoms in patients with anxiety disorders is uncertain. Patients with a primary diagnosis of an anxiety disorder, with stabilised symptoms, underwent either 6 weeks of celecoxib augmentation of continued treatment (n = 18) or continued ‘treatment as usual’ (n = 9). Assessments included the Warwick–Edinburgh mental well-being Scale (WEMWEBS), Hospital Anxiety and Depression Scale (HADS), Oxford questionnaire of emotional side effects of antidepressants (OQUESA) and Clinical Global Impression of Illness Severity (CGI-S). Venous blood samples were collected for assays of inflammatory cytokines. Patients who underwent celecoxib augmentation showed significant reductions in anxiety (HADS-A −3.17) and depressive (HADS-D −2.11) symptoms and in overall illness severity (CGI-S −1.11), and improvements in mental well-being (WEMWBS 7.5) and positive changes in emotional responsiveness (OQUESA-RP −3.56; OQUESA-AC −4.22): these were not seen with ‘treatment as usual’. There were no significant changes in blood levels of inflammatory cytokines in either group. Celecoxib augmentation appeared associated with beneficial effects on anxiety and depressive symptoms and mental well-being. The findings from this pilot study merit further exploration within a double-blind, randomised placebo-controlled study.
Valproic acid protects intestinal organoids against radiation via NOTCH signaling

Radiotherapy is a leading treatment for various types of cancer. However, exposure to high‐dose ionizing radiation causes acute gastrointestinal injury and gastrointestinal syndrome. This has significant implications for human health, and therefore, radioprotection is a major area of research. Radiation induces the loss of intestinal stem cells; hence, the protection of stem cells expressing LGR5 (a marker of intestinal epithelial stem cells) is a key strategy for the prevention of radiation‐induced injury. In this study, we identified valproic acid (VPA) as a potent radioprotector using an intestinal organoid culture system. VPA treatment increased the number of LGR5+ stem cells and organoid regeneration after irradiation. N‐[N‐(3,5‐difluorophenacetyl)‐l‐alanyl]‐S‐phenylglycine t‐butyl ester (DAPT, an inhibitor of NOTCH signaling) blocked the radioprotective effects of VPA, indicating that NOTCH signaling is a likely mechanism underlying the observed effects of VPA. In addition, VPA acted as a radiosensitizer via the inhibition of histone deacetylase (HDAC) in a colorectal cancer organoid. These results demonstrate that VPA exerts strong protective effects on LGR5+ stem cells via NOTCH signaling and that the inhibition of NOTCH signaling reduces these protective effects, providing a basis for the improved management of radiation injury.
Emotional Attitudes of Chinese Citizens on Social Distancing During the COVID-19 Outbreak: Analysis of Social Media Data

Background Wuhan, China, the epicenter of the COVID-19 pandemic, imposed citywide lockdown measures on January 23, 2020. Neighboring cities in Hubei Province followed suit with the government enforcing social distancing measures to restrict the spread of the disease throughout the province. Few studies have examined the emotional attitudes of citizens as expressed on social media toward the imposed social distancing measures and the factors that affected their emotions. Objective The aim of this study was twofold. First, we aimed to detect the emotional attitudes of different groups of users on Sina Weibo toward the social distancing measures imposed by the People’s Government of Hubei Province. Second, the influencing factors of their emotions, as well as the impact of the imposed measures on users’ emotions, was studied. Methods Sina Weibo, one of China’s largest social media platforms, was chosen as the primary data source. The time span of selected data was from January 21, 2020, to March 24, 2020, while analysis was completed in late June 2020. Bi-directional long short-term memory (Bi-LSTM) was used to analyze users’ emotions, while logistic regression analysis was employed to explore the influence of explanatory variables on users’ emotions, such as age and spatial location. Further, the moderating effects of social distancing measures on the relationship between user characteristics and users’ emotions were assessed by observing the interaction effects between the measures and explanatory variables. Results Based on the 63,169 comments obtained, we identified six topics of discussion—(1) delaying the resumption of work and school, (2) travel restrictions, (3) traffic restrictions, (4) extending the Lunar New Year holiday, (5) closing public spaces, and (6) community containment. There was no multicollinearity in the data during statistical analysis; the Hosmer-Lemeshow goodness-of-fit was 0.24 (χ28=10.34, P>.24). The main emotions shown by citizens were negative, including anger and fear. Users located in Hubei Province showed the highest amount of negative emotions in Mainland China. There are statistically significant differences in the distribution of emotional polarity between social distancing measures (χ220=19,084.73, P<.001), as well as emotional polarity between genders (χ24=1784.59, P<.001) and emotional polarity between spatial locations (χ24=1659.67, P<.001). Compared with other types of social distancing measures, the measures of delaying the resumption of work and school or travel restrictions mainly had a positive moderating effect on public emotion, while traffic restrictions or community containment had a negative moderating effect on public emotion. Conclusions Findings provide a reference point for the adoption of epidemic prevention and control measures, and are considered helpful for government agencies to take timely actions to alleviate negative emotions during public health emergencies.
Anion Exchange Membranes by Bromination of Benzylmethyl-Containing Poly(sulfone)s

This report details the properties of anion-conducting membranes synthesized by halomethylation and quaternization of benzylmethyl-containing poly(sulfone)s. The benzylmethyl moieties, which serve as precursors to cationic sites, are introduced during polymer synthesis, thereby circumventing postmodification of the polymer by chloromethylation. By directing the distribution of ionic groups, the anion conductivity and water uptake of the membranes could be tuned over a wide range. For homogeneously distributed cationic groups, the water uptake and anionic conductivity were high relative to the material’s ion exchange capacity. When an unfunctionalizable comonomer was added, the water uptake decreased for a given ion content. A strong correlation between the water uptake and anion conductivity was observed for all materials. Interestingly, as the cation concentration in the membrane decreased due to an increase in water uptake, the anion conductivity increased. This unexpected relationship between the volum.
Efficacy of apatinib as third-line treatment of advanced colorectal cancer and prognostic analysis.

PURPOSE To explore the efficacy and safety of apatinib mesylate in the third-line treatment of advanced colorectal cancer after the standard second-line treatment failed, and to analyze the possible factors affecting the prognosis. METHODS The clinical data of 52 patients with advanced colorectal cancer who failed or were intolerant of the standard second-line treatment performed in our hospital from January 2017 to December 2018 were collected. All the patients received the third-line treatment with apatinib mesylate tablets that were administered at 500 mg q.d. with 28 d as an administration cycle, and the clinical efficacy of apatinib mesylate and incidence of adverse reactions were recorded and analyzed. Besides, the survival and disease progression of the patients were followed up and recorded, and the influencing factors for the prognosis were analyzed. RESULTS The remaining 50 patients had efficacy evaluation, and it was found that the overall response rate (ORR) and disease control rate (DCR) were 8.0% (4/50) and 50% (25/50), respectively. The median survival, median progression-free survival (mPFS) and 1-year overall survival (OS) rate were 7.6±2.5, 4.0±1.7 and 26.9% (14/52), respectively. After treatment, the patients had increased scores for all items on the functional scale of the Quality of Life Questionnaire Core 30 (QLQ-C30). Decreases in the scores for all items on the symptomatic scale were also found after treatment, and the mitigation of the symptoms nausea and vomiting and pain was statistically significantly different. According to multivariate analysis results, the mPFS was significantly prolonged in the patients with CerB2++/+++, the positivity rate of Ki-67 ≥50% and the presence of hypertension after treatment. CONCLUSIONS Apatinib is effective in the third-line treatment of advanced colorectal cancer, significantly improves the patient quality of life, and causes tolerable adverse reactions. The mPFS is markedly extended in the patients with CerB2++/+++, positivity rate of Ki-67 ≥50% and the presence of hypertension after treatment, which are the independent factors affecting the efficacy.
Medicinal properties of Triticum aestivum.L Effects of freezing on chlorophyll and antioxidant content of aqueous wheatgrass extract

Triticum aestivum when harvested as young green shoots provides the dietary supplement wheat grass juice, known as a “functional food”. This paper establishes the medicinal quality of some of the chemical constituents in this plant material. Chlorophyll is said to contribute to its medicinal properties. It is also said to have high antioxidant capabilities. The total chlorophyll content was extracted from frozen and fresh samples using 80% acetone and measured using a spectrophotometer at wavelengths of 663nm and 645nm. The general antioxidants are measured using the Ferric Reducing Ability of Plasma assay and absorptivity measured at a wavelength of 595nm. The quantities are then compared between samples that have been frozen for a varying lengths of time, up to 2.3 years, and a sample that is unfrozen and freshly pressed before undergoing assays. Results show no significant reductions in chlorophyll content and no significant differences in antioxidant capacity between samples frozen for varying lengths of time. It was concluded that there was no difference in chlorophyll content or antioxidant capacity in samples frozen for up to 2.3 years in comparison to fresh, unfrozen juice. The trial also briefly compares the difference between samples grown organically outdoors to those grown hydroponically in a greenhouse. A significant reduction in both chlorophyll content (48% less) and antioxidant capacity (28% less) was found in frozen greenhouse grown wheatgrass compared to frozen outdoor grown.
Computational investigation of the impact of deep brain stimulation contact size and shape on neural selectivity

Background. Understanding neural selectivity is essential for optimizing medical applications of deep brain stimulation (DBS). We previously showed that modulation of the DBS waveform can induce changes in orientation-based selectivity, and that lengthening of DBS pulses or directional segmentation can reduce preferential selectivity for large axons. In this work, we sought to investigate a simple, but important question from a generalized perspective: how do the size and shape of the contact influence neural selectivity? Methods. We created multicompartment neuron models for several axon diameters and used finite element modeling with standard-sized cylindrical leads to determine the effects on changing contact size and shape on axon activation profiles and volumes of tissue activated. Contacts ranged in size from 0.04 to 16 mm2, compared with a standard size of 6 mm2. Results. We found that changes in contact size are predicted to induce substantial changes in orientation-based selectivity in the context of a cylindrical lead, and changes in contact width or height can alter this selectivity. Smaller contact sizes were more effective in constraining neural activation to small, nearby axons. However, micro-scale contacts enable only limited spread of neural activation before exceeding standard charge density limitations; further, energetic efficiency is optimized by somewhat larger contacts. Interpretations. Small-scale contacts may be optimal for constraining stimulation in nearby grey matter and avoiding orientation-selective activation. However, given charge density limitations and energy inefficiency of micro-scale contacts, we predict that contacts sized similarly to or slightly smaller than segmented clinical leads may optimize energy efficiency while avoiding charge density limitations.
Cortical and subcortical responsiveness to intensive adaptive working memory training: An MRI surface‐based analysis

Working memory training (WMT) has been shown to have effects on cognitive performance, the precise effects and the underlying neurobiological mechanisms are, however, still a matter of debate. In particular, the impact of WMT on gray matter morphology is still rather unclear. In the present study, 59 healthy middle‐aged participants (age range 50–65 years) were pseudo‐randomly single‐blinded allocated to an 8‐week adaptive WMT or an 8‐week nonadaptive intervention. Before and after the intervention, high resolution magnetic resonance imaging (MRI) was performed and cognitive test performance was assessed in all participants. Vertex‐wise cortical volume, thickness, surface area, and cortical folding was calculated. Seven subcortical volumes of interest and global mean cortical thickness were also measured. Comparisons of symmetrized percent change (SPC) between groups were conducted to identify group by time interactions. Greater increases in cortical gyrification in bilateral parietal regions, including superior parietal cortex and inferior parietal lobule as well as precuneus, greater increases in cortical volume and thickness in bilateral primary motor cortex, and changes in surface area in bilateral occipital cortex (medial and lateral occipital cortex) were detected in WMT group after training compared to active controls. Structural training‐induced changes in WM‐related regions, especially parietal regions, might provide a better brain processing environment for higher WM load.