Kinds Of Organs Research Articles

The regulatory mechanisms of IRF7 mediated by the type I IFN signalling pathway against Streptococcus iniae in yellowfin seabream, Acanthopagrus latus (Hottuyn, 1782)

Interferon regulatory factor 7 (IRF7) regulates type I interferon (IFN) genes via combining to the ISRE region in the immune response against bacteria. Streptococcus iniae is one of the dominant pathogenic bacteria of yellowfin seabream, Acanthopagrus latus. However, the regulatory mechanisms of A. latus IRF7 (AlIRF7) mediated by the type I IFN signalling pathway against S. iniae was ambiguously. In the present study, IRF7, and two IFNa3s (IFNa3 and IFNa3-like) were authenticated from A. latus. The total length of AlIRF7 cDNA is 2142 bp, containing a 1314 bp open reading frame (ORF) encoding an inferred 437 amino acids (aa). Three typical regions, a serine-rich domain (SRD), a DNA-binding domain (DBD), and an IRF association domain (IAD), are conserved in AlIRF7. Furthermore, AlIRF7 is fundamentally expressed in various kinds of organs, with high levels in the spleen and liver. Additionally, S. iniae challenge promoted AlIRF7 expression in the spleen, liver, kidney, and brain. AlIRF7 is confirmed to be located at the nucleus and cytoplasm by overexpression of AlIRF7. Moreover, truncation mutation analyses shows that the regions, −821 bp to +192 bp and −928 bp to +196 bp, were known as core promoters from AlIFNa3 and AlIFNa3-like, respectively. The point mutation analyses and electrophoretic mobile shift assay (EMSA) verified that AlIFNa3 and AlIFNa3-like transcriptions are depended on the M2/5 and M2/3/4 binding sites with AlIRF7 regulation, respectively. Additionally, an overexpression experiment showed that AlIRF7 can dramatically decrease the mRNA levels of two AlIFNa3s and interferon signalling molecules. These results suggest that two IFNa3s may mediate the regulation of AlIRF7 in the immune responses of A. latus against S. iniae infection.

Hydrothermal carbonization of cellulose in aqueous phase of bio-oil: The significant impacts on properties of hydrochar

Aqueous phase of bio-oil (APBO) is a major fraction of bio-oil deriving from pyrolysis of biomass. APBO mostly contains water, carboxylic acids and different kinds of organics, which can afford a potential reactive medium for hydrothermal carbonization (HTC) of biomass. In this study, the HTC of cellulose in APBO was conducted, aiming to probe the effects of the APBO organics on the properties of the hydrochar. The results showed that the organics such as sugars, sugar-derivatives and phenolics in APBO could adsorb on the surface of cellulose and suppress the hydrolysis at lower temperature (i.e. 180 °C), while they could cross-polymerize with cellulose derivatives at higher temperatures (i.e. 220 or 260 °C). Compared with the hydrochar obtained in water, the APBO remarkably enhanced hydrochar yield by 11.3% and resulted in the abundant formation of aliphatic structures, making the hydrochar carbon and hydrogen-rich but with a lower thermal stability. In addition, the involvement of the APBO organics within the cross-polymerization interfered with the nucleation of the sugars/furans and inhibited the formation of the spheres with a hydrophilic shell and a hydrophobic core, resulting in the formation of an irregularly shaped hydrochar. Such a process also made the hydrochar rather hydrophobic, while the combustion performance was highly improved, exhibiting a lower ignition temperature (170 °C in APBO vs 306 °C in water).

Legal status and characteristics of a digital human

The article outlines the path that humanity is developing from Homo sapiens to digital human being in three main vectors. The latest high-tech devices have been proven to provide a tight interactive connection with the user, thus gradually becoming an integral part of the biological body and human consciousness, a kind of organs or chains for transmitting nerve signals. The possibility of combining carbon technology (human) with silicon technology (artificial intelligence, implants, robotics) creates a powerful new challenge for legal doctrine, one of the main tasks of which is to describe the legal characteristics of digital human being, determine his or her legal status in the law system. To generalize the concepts of transhuman and posthuman, which operates on transhumanism, the author proposes to use the common term of digital human being. The necessity of directing state regulation to limit or prevent the antisocial use of improved physical and cognitive properties by digital human being is argued. The possibility of quantum immortality is considered. It has been suggested that new rights, responsibilities, and freedoms may emerge that now exist only in theory or even beyond imagination and discussion. They can become the subject of supernatural law as the successor of natural law. The possibility of the transition of the decision-making process from a digital human being to artificial intelligence in its implant, when the brain will continue to receive signals that will form the illusion of free will, is analysed. It is proved that a digital human being must be recognized as a special persona of legal relations.

X-ray luminescence computed tomography using a hybrid proton propagation model and Lasso-LSQR algorithm.

X-ray luminescence computed tomography (XLCT) uses external X-rays for luminescence excitation, which is becoming a promising molecular imaging technique with superb penetration depth and spatial resolution. To achieve the tomographic mapping of luminescence distribution, accurate optical propagation model and suitable reconstruction method are two keys for XLCT, but not satisfied. To overcome the limitation of the single proton propagation model (e.g., DE, SP3 ), we adopted a hybrid diffusion equation with third order simplified spherical harmonics (DE-SP3 ) model for XLCT. To enable fast iteration and accurate sparse reconstruction, we also integrated in the inversion optimization, with a novel Least Square QR-factorization based on the Lasso (Lasso-LSQR) algorithm. We first simulated the light propagation in various kinds of organs under DE model and SP3 model, respectively. By comparison with the Monte Carlo, these tissues can be categorized into two types, namely DE-fitted tissues that include muscle and lung, and SP3 -fitted tissues including heart, kidney, liver, and stomach. According to the above classification results, we built a hybrid DE-SP3 model to more accurately describing light transport. Numerical simulations and in vivo experiments illustrated that hybrid DE-SP3 model achieves superior reconstruction performance in terms of location accuracy, and spatial resolution than DE, and less computational cost than SP3 . The hybrid DE-SP3 model materializes a balance between accuracy and efficiency for XLCT.

Anderson-fabry disease: role of traditional and new cardiac MRI techniques.

Anderson-Fabry (FD) disease is a rare X-linked disorder caused by different mutations in the Galactosidase α (GLA) gene, which leads to α-galactosidase A enzyme deficiency and the storage of glycosphingolipids in different kinds of organs, included the heart. This results in myocardial inflammation and left ventricular hypertrophy (LVH) and fibrosis. Echocardiography and cardiac magnetic resonance (C-MRI), in particular with new techniques, such as mapping analysis, late gadolinium enhancement (LGE) assessment and strain imaging, are important tools that allow a correct diagnosis, discriminating FD from other hypertrophic heart conditions. C-MRI is able to detect tissue alterations in the early stages of the disease, when an appropriate treatment could be more effective, and it has a fundamental role in monitoring therapy.

Climate Change and the Human Right to Water

Abstract ‘Climate action’ and ‘Clean water and sanitation’ are two interconnected Sustainable Development Goals (6 & 13). Climate change has negative effects on all aspects of the human right to water: water’s availability, quality, accessibility, affordability and acceptability. Fulfilment of Sustainable Development Goals is measured by Indicators elaborated by different kind of organs and institutions. Indicators pertains to different factors and may lead to normative consequences. As instruments of global governance they require more transparency and participation in order to foster legitimacy and effectiveness Goals’ achievement. Reports of the Intergovernmental Panel on Climate Change (IPCC) are examples of “governance by indicators”. The main content of reports is data syntheses of various factors influencing climate evolution. However, they contain “summaries for policymakers” of unequivocally normative character based on the interpretation and generalisation of data analysis. Explanation of climatological analyses, convincing theory of probability is required in order to gain stronger civil societies’ conviction for more dynamic action.

Heavy metal bioaccumulation and distribution in Typha latifolia and Arundo donax: implication for phytoremediation

In this study we determined the concentration of metals (Cd, Ni, Zn and Cu) in sediment and aquatic plants (Typha latifolia and Arundo donax). The level of pollution in the sediment was assessed using contamination factor (CF), pollution load index (PLI) and geo-accumulation index (Igeo). Obtained results have exhibited that the distribution of trace elements in sediment follows: Zn (196.51 µg g-1) > Ni (140.68 µg g-1) > Cu (121.56 µg g-1) > Cd (1.101 µg g-1). However, comparison of sediment metal concentrations with several environmental contamination parameters, such as: probable effect level (PEC) and background levels, indicated that the concentrations of all investigated elements were less than PEC, except that of Ni, albeit higher than the background levels. The Igeo values revealed that Cd (1.28 µg g-1) had been accumulated significantly in the Djendjen River. Contamination factor (CF) exhibited that the sedimentary samples were moderate in terms of all studied metal contaminations. The pollution load index (PLI) values were above one (>1), displaying an advanced decline of the sediment quality. In studied plants, results exhibited that the amount of concentrations in tissues is significantly dependent on the kind of organ and element. A. donax revealed a lesser capacity of bioaccumulation as well as a lesser efficiency of metal removal than T. latifolia. In contaminated aquatic ecosystems, the presence of T. latifolia may increase the removal of heavy metals, thus, their introduction contributed to a possible action of phytoremediation.

Kidneys and microbiota

The review article analyzes the results of studies of the bi-directional relationship of the intestinal microbiota and kidneys, the so-called colorenal interactive axis of interaction. The intestinal microbiota is considered as a kind of organ that influences the brain, cardiovascular and immune systems, as well as the kidneys of the "host". Short-chain fatty acids (SCFA) formed in the colon as the result of microbial metabolism from plant components of dietary fiber and acting as ligands for the olfactory receptor, paired G-proteins in the kidneys are recognized as the markers of this symbiosis. With the help of modern omix technologies, the development of dysbiosis taking into account patients with chronic kidney disease (CKD) has been proved, which leads to the accumulation of precursors of uremic toxins, a decrease in the production of SCFA, which have nephroprotective properties and play a key role in energy homeostasis.
 Changes in the composition of the intestinal microbiota in CKD, an increase in the content of uremic toxins in the intestinal lumen contribute to the appearance of the “leaky” intestinal barrier syndrome, the movement of bacteria from the intestine into the general circulation, the development of systemic inflammation, oxidative stress, comorbidity, the progression of CKD, and an increase in mortality. Diets with restriction of protein and potassium quotas, violation of nutritional status lead to the development of dysbiosis in CKD. A decrease in the diet of vegetables and fruit causes the expansion of bacteria producing uricase and urease, which are enzymes in the formation of uremic toxins and reduce the number and variety of bacteria producing short-chain fatty acids. Potential targeted effects on the axis of “intestinal microbiota - chronic kidney disease” are being discussed: the use of a diet enriched in plant fibers, heat-treated, then chilled potatoes and rice as prebiotics (sources of resistant starch), nuts, plant seeds, and pro-, pre-, synbiotics, fecal transplantation. Most of the proposed interventions in the structure and functions of the microbiota are not dangerous, side effects are minimal.

Pengaruh Terapi Dzikir terhadap Intensitas Nyeri pada Pasien Gastritis

The digestive system is a food/nutrition pathway from the entrance or input to output (excretion/elimination). Anatomically the digestive system or often called the digestive or gastrointestinal system consists of various kinds of organs from the oral cavity to the anus. Complaints in gastrointestinal patients can be related to local/intralumen disorders of the gastrointestinal tract for example the presence of duodeni ulcers, gastritis and so on. The purpose of this study was to determine the effect of dzikir therapy on pain intensity in gastritis patients. The study used a quasy experiment design with the Pre and Post Test Group design approach. This research was conducted from June to August 2018. Data collection in the Surgical Room of Nene Mallomo Hospital, Sidrap Regency was conducted every morning starting June 2, 2018 to August 25, 2018 with a total sample of 45 respondents. The results of this study found that p=0,000 with a significance level of p <α (0.05) where p <α so can be concluded that there is an effect of dzikir therapy on pain intensity in gastritis patients at Nene Mallomo Hospital, Sidrap Regency.

Preparation and Electrochemical Properties of Si@C/Graphite Composite as Anode for Lithium-Ion Batteries

In this study, Si@C/Graphite composite anodes were synthesized through spray drying and pyrolysis using silica, artificial graphite, and two kinds of organics (phenolic resin or pitch). The Si@PR-C/Graphite exhibits enhanced electrochemical performance for lithium-ion batteries. The first charge-discharge specific capacity is 512.8mAh/g and 621.8mAh/g, respectively, the initial coulombic efficiency is 82.5% at 100mA/g, and its capacity retention rate reached as high as 85.4% with the capacity fade rate of less than 0.18% per cycle after 85 cycles. The Si@PI-C/Graphite also presents excellent discharge specific capacity of 702.8mAh/g with the capacity retention rate of 76.9% after 30 cycles. Mechanisms for high electrochemical performances of the Si@C/Graphite composite anode are discussed. It found that the enhanced electrochemical performance due to the formation of core/shell microstructure. These encouraging experimental results suggest that proper organic carbon source has great potential for improvement of electrochemical properties of pure silicon as anode. Key words:lithium-ion batteries; anode; Si@C/Graphite composite; electrochemical performance

First Russian experience of liver and kidneys transplantation obtained from the donor with out-of-hospital irreversible cardiac arrest

Organs’ shortage remains the main limiting problem for accessibility of organ transplantation. There is the growing interest among transplant society for use organs obtained from «uncontrolled» donors after cardiac death (uDCDs), or, asystolic donors. But the warm ischemic time is critical factor for wide accepting of practice of transplantation such kind of organs. The article presents the first case of successful clinical organ transplants from the donor with out-of-hospital irreversible cardiac arrest obtained with help of life support devices.

Identification of mouse organ endogenous peptides by high throughput mass spectrometry

Endogenous peptides, in the form of cytokines, growth hormones and hormone peptides, play an important role in human hormones, nerves, cell growth and reproduction. Neuropeptide is a kind of endogenous peptide, which is related to the physiological activities of pain, sleep, emotion, learning and memory. Neuropeptides exist not only in the nerve cells of the brain, but also in other body fluids and organs. At present, there is still a lack of research on endogenous peptides, especially on neuropeptides. In this study, high-throughput liquid chromatography tandem mass spectrometry was used to identify the distribution of endogenous peptides in the pancreas, heart, liver and kidney as well as the types of neuropeptides. The results showed that the number of endogenous peptides and neuropeptides in the liver was the highest while that of the pancreas was the lowest. The identified endogenous peptides were organ-specific and presented different dynamic distribution in four kinds of organs. The number of LPV (Longest peptide variant) of neuropeptide in the four organs varies greatly, and the distribution of gene family is also different. For example, neuropeptide in pancreas belongs to Glucagon family, while neuropeptide in heart belongs to ACBD7, Granins, PEBP and other families. The identification results will provide reference value for the mechanism study of diseases and the research and development of therapeutic drugs.

Evaluating the effects of causes of death on postmortem interval estimation by ATR-FTIR spectroscopy.

Estimating postmortem interval (PMI) is one of the most challenging tasks in forensic practice due to the effects of many factors. Here, attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy combined with chemometrics was utilized to evaluate the effects of causes of death when estimating PMI and to establish a partial least square (PLS) regression model, which can precisely predict PMI under different causes of death. First, the sensitivities to causes of death (brainstem injury, mechanical asphyxia, and hemorrhage shock) of seven kinds of organs were evaluated based on their degrees of cohesion and separation. Then, the liver was selected as the most sensitive organ to establish a PMI estimation model to compare the predicted deviations from different causes of death. It turns out that the cause of death has no significant effect on estimating PMI. Next, a PLS regression model was built with kidney tissues, which have the lowest sensitivity, and this model showed a satisfactory predictive ability and wide applicability. This study demonstrates the feasibility of using ATR-FTIR spectroscopy in conjunction with chemometrics as a powerful alternative for detecting changes in biochemistry and estimating PMI. A new perspective was also provided for evaluating the effect of causes of death when predicting PMI.

Trace elements removal ability and antioxidant activity of Phragmites australis (from Algeria)

In this study, roots, stems and leaves of the worldwide distributed macrophyte Phragmites australis (common reed) were tested as potential removal and biomonitors of trace elements contamination in sediment. In particular, the concentrations (100, 200, and 500 mg/kg) of the following elements were analyzed: Zn, Cu, Pb, and Fe. Results showed that the amount of concentrations in plant tissues is significantly (p ≤ 0.01) dependent on the kind of organ and element. Trace element concentrations decreased according to the pattern of Fea (Rootsa > Stemsb > Leavesb) > Znb (Roota > Leavesb > Stemsc) > Cuc (Rootsa > Leavesb > Stemsc) > Pbc (Rootsa > Stemsb > Leavesc), as well as the roots acted as the main centers of bioaccumulation for all elements studied, and stems as the transit organs for translocation from roots to leaves. The major mechanisms employed by the plant were probably phytostabilization on the basis of the calculated Biological Concentration Factor (BCF – metal concentration ratio of plant root to soil); and Translocation Factor (TF – metal concentration ratio of plants roots to above ground part). Finally, due to the low scavenger effect of the radical DPPH, we excluded the hypothesis of the use of antioxidant mechanism in the tolerance of metals.

Enhanced Degradation of Waste Activated Sludge in Microbial Electrolysis Cell by Ultrasonic Treatment.

This study investigates the feasibility of ultrasonic pretreatment for improving treatment efficiency of waste activated sludge (WAS) in microbial electrolysis cell (MEC). Results showed that at applied voltage of 0.5 V, biogas production and cathodic hydrogen recovery enhanced 3.68-fold and 2.56-fold, respectively. Due to the transformation of soluble COD accelerated by the pretreatment, the removal rates of suspended solids and volatile suspended solids were significantly enhanced by 1.38-fold and 1.48-fold, respectively. Various kinds of organics, including VFAs (volatile fatty acids), proteins and carbohydrates, could be utilized in sequence. The primary biodegradable substance in MEC was hydrophilic fraction from sludge organics and the pretreatment effectively resulted in an elevated concentration of this fraction. The 16S rRNA pyrosequencing analysis demonstrated multiple syntrophic interactions between fermentative bacteria, exoelectrogenes, and methanogenic archaea in MEC for WAS.

Electrospun nanofiber cloud for ultrafast solid phase micro-extraction of trace organics in water samples

In order to achieve ultrafast solid phase micro-extraction (SPME) of trace organics in water samples, the robust polyimide/polyvinylpyrrolidone (PI/PVP) composite nanofiber was prepared by electrospinning. Unlike the nonwoven electrospun membrane bulk widely used for SPME, the hydrophilic PI/PVP nanofibers here can be easily dispersed into and recovered from water sample like a cloud, so nanofiber cloud SPME (NC-SPME) was proposed in this work. The extraction performance of the NC-SPME method was evaluated using phthalates and organochlorine pesticides as model analytes. The extracted analytes were then desorbed by acetone and eventually quantified by gas chromatography-mass spectrometry (GC–MS). The extraction equilibrium was reached in 30 s for most of the phthalates and 2 min for organochlorine pesticides. While for bar-SPME, the equilibrium time was much longer than 2 h. At the extraction time of 5 min, the recoveries of phthalates and organochlorine pesticides were more than 34% and 52% by the NC-SPME method while they were less than 15% and 10% respectively by the bar-SPME method. In a word, the NC-SPME method presented significant advantages such as fast equilibrium and high recoveries compared to bar-SPME. For the phthalates analysis of real samples by NC-SPME, 5 mL of water sample was used for a 5-min extraction, linear range covered 1–2 orders of magnitude with correlation coefficients (r) higher than 0.99 and limits of detection (LODs) at ng/L levels for all of the tested water samples. This method will be useful for the rapid micro-extraction of other kinds of organics in water samples even biological fluid samples due to the stable composition, ultra-hydrophilic surface of PI/PVP nanofiber, and the biocompatible nature of PVP.

After fire regeneration in a Mediterranean serpentine mountain

Abstract: The management of Mediterranean mountains need to know whether or not the flora is adapted to respond to fire and, if so, through what mechanisms. Serpentine outcrops constitute particular ecosystems in the Mediterranean Basin, and plants need to make an additional adaptive effort. The objective of this study is to know the response to fire of the main members of the group of serpentine plants, which habit the Spanish Mediterranean ultramafic mountain, to help in their management. For this purpose, monitoring plots were established on a burned ultramafic outcrop, which was affected by fire in August 2012.They were located in the Mediterranean south of the Iberian Peninsula, Andalusia region. The dominant vegetation of this serpentine ecosystem had been studied previously to fire; it was a shrubland composed of endemic serpentinophytes (small shrubs and perennial herbs) included in Digitali laciniatae-Halimietum atriplicifolii plant association (Cisto-Lavanduletea class) in an opened pine forest. The post-fire response of the plants was studied in the stablished burned plots by field works through permanent 200 x 10 m transect methods, consisting on checking whether they were resprouters, seeders, both of them or if they showed no survival response. Additional information about fire related functional traits is provided for the studied taxa from other studies. Of the total of plants studied (23 taxa), 74% acted as resprouters, 30% as seeders, some of which also had the capacity to resprout (13%), and only 9% of the plants did not show any survival strategy. The presence of a resprouting burl was not high (17%), although serpentine small shrubs such as Bupleurum acutifolium and the generalist Teucrium haenseleri had this kind of organ. The herbaceous taxa Sanguisorba verrucosa, Galium boissieranum and Linum carratracense were seen to be resprouters and seeders. The serpentine obligated Ni-accumulator, Alyssum serpyllifolium subsp. malacitanum, did not show any survival strategy in the face of fire and therefore their populations need monitoring after fires. In the studied ecosystems no species had traits that would protect the aerial part of the plant against fire, although most of the species are capable of post-fire generation by below ground buds. Our results show that the ecosystem studied, composed of taxa with a high degree of endemism and some of them threatened, is predominantly adapted to survival after a fire, although their response capacity may be decreased by environmental factors.

An Initial Step Towards Organ Transplantation Based on GitHub Repository

Organ transplantation, which is the utilization of codes directly related to some specific functionalities to complete ones own program, provides more convenience for developers than traditional component reuse. However, recent techniques are challenged with the lack of organs for transplantation. Hence, we conduct an empirical study on extracting organs from GitHub repository to explore transplantation based on large-scale dataset. We analyze statistics from 12 representative GitHub projects and get the conclusion that 1) there are abundant practical organs existing in commits with add as a key word in the comments; 2) organs in this repository mainly possess four kinds of contents; 3) approximately 70% of the organs are easy-to-transplant. Implementing our transplantation strategy for different kinds of organs, we manually extract 30 organs in three different programming languages, namely Java, Python, and C, and make unit tests for them utilizing four testing tools (two for Java, one for Python, and one for C). At last, we transplant three Java organs into a specific platform for a performance check to verify whether they can work well in the new system. All the 30 organs extracted by our strategy possess good performances in unit test with the highest passing rate reaching 97% and the lowest one still passing 80% and the three Java organs work well in the new system, providing three new functionalities for the host. All the results indicate the feasibility of organ transplantation based on open-source repository, bringing new idea for code reuse.

Energy Harvest from Organics Degradation by Two-Dimensional K+-Intercalated Manganese Oxide.

Pollution treatment, a problem our world is being deeply puzzled by, has required large amounts of energy during enrichment and degradation. However, some pollutants, for instance organics in wastewater, could offer an energy supply but instead are wasted. Here we report an energy harvesting galvanic cell, built by using a Pt foil as an anode and 2D K+-intercalated MnO2 as a cathode, which combines both dye degradation in wastewater and energy harvesting during the degradation process. Owing to the galvanic effect, this cell could accelerate the degradation rate and indicate the progress of degradation. Different kinds of organics could be degraded and produce energy in this cell with a stable open-circuit voltage (0.45 V). Magnification and imitation of this strategy offer a new chance to harvest waste energy in other exothermic reactions.

A Comparison of the Accuracy of Semi-empirical PM3, PDDG and PM6 methods in Predicting Heats of Formation for Organic Compounds

Gas phase heats of formation (HOF) of 18 kinds of 390 organic compounds were calculated by quantum chemical calculation using semi-empirical PM3, PDDG and PM6 methods. The calculated HOFs were compared with the experimental data to illustrate the accuracy for different kinds of organics. Furthermore, the calculated values were linearly fitted with experimental values using the least square method, and were afterward substituted into the fitted regression equations to obtain the calibrated ones. The results show that, for 10 kinds of the selected organics, PM6 is more accurate, and PDDG is more accurate for 7 kinds of organics, while PM3 is only good for amino acid. As a whole, PM6 predicts the HOFs more accurately, with its weighted total mean average deviation (WTMAD) being 0.4 kJ/mol and 2.4 kJ/mol smaller than those of PM3 and PDDG, respectively. On the other hand, our results show that PDDG is the best to differentiate the isomers, with its mean average deviation (MAD) for isomerization energy being 7.8 kJ/mol and 11.0 kJ/mol smaller than PM6 and PM3, respectively. After the calibration, the values of MADs from the PM3, PDDG and PM6 results for most organics are reduced by 0.1 to 18.2 kJ/mol, with exceptions of the PM3 for amines, PDDG for carboxylic acids, and PM6 for ethers.