bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Conversion of N‐Benzyloxycarbonylamino‐ and N‐Tosylamino‐benzyl Phenylsulfones by Green Strecker Reactions to α‐Aminobenzyl Nitriles Using Potassium Hexacyanoferrate(II).
Authors: Hu Xiaochun , Li Rongzhi , Li Zheng 
Published: February 2015

AbstractThe introduced protocol has the advantages of using a nontoxic, nonvolatile and inexpensive cyanating agent, employing a simple work‐up procedure and producing high yields.
ChemInform Abstract: Zinc Chloride Catalyzed Ring Opening of N‐Arylsulfonyl Aziridines by Thioamides: A New Approach to the Synthesis of Amidines.
Authors: Hajibabaei Khadijeh , Zali‐Boeini Hassan 
Published: February 2015

AbstractThe method proceeds with similar efficiency as previously developed methods, but has an advantage of not requiring toxic or explosive reagents.
ChemInform Abstract: Gold(I)‐Catalyzed Direct Thioetherifications Using Allylic Alcohols: An Experimental and Computational Study.
Authors: Herkert Lorena , Green Samantha L. J. , Barker Graeme , Johnson David G. , Young Paul C. , Macgregor Stuart A. , Lee Ai‐Lan 
Published: February 2015

AbstractA mild regioselective and stereoselective direct formal SN2′ thioetherification of allylic alcohols is developed.
ChemInform Abstract: Efficient One‐Pot Cross‐Coupling of Two Aryl Halides by Stannylation/Stille Reaction in Water under Microwave Irradiation.
Authors: Tan Xin , Zhou Zi Jie , Zhang Jia Xin , Duan Xin Hong 
Published: February 2015

AbstractThe synthetic value of this protocol is demonstrated by preparation of the boscalide intermediate (XIV).
ChemInform Abstract: Direct Carbocyclizations of Benzoic Acids: Catalyst‐Controlled Synthesis of Cyclic Ketones and the Development of Tandem aHH (acyl Heck‐Heck) Reactions.
Authors: Miles Kelsey C. , Le Chi , Stambuli James P. 
Published: February 2015

AbstractA highly selective method for the cyclization of ortho‐allylated arylcarboxylates to exo‐methylene indanones or analogous 3‐methylindenones is developed.
ChemInform Abstract: Sterically Controlled Diels—Alder Cycloadditions: Rapid Entry into the Illudin Scaffold.
Authors: Stevens‐Cullinane Lars , Lucas Nigel T. , Hawkins Bill C. 
Published: February 2015

AbstractHoveyda—Grubbs catalyzed enyne ring‐closing metathesis produces the diene (II) in good yields.
ChemInform Abstract: A Three‐Component Reaction for the Synthesis of Diverse, Densely Substituted 2′,3′‐Dihydrospiro[indoline‐3,6′‐[1,3]oxazine]s.
Authors: Zhang Jing , Gao Hong , Sun Jing , Yan Chao‐Guo 
Published: February 2015

AbstractA three‐component reaction of N‐arylaldimines with isatin and dialkylacetylene dicarboxylates is developed to yield diastereomeric mixtures of spirocyclic indoline‐oxazine derivatives.
ChemInform Abstract: Diastereo‐ and Enantioselective Construction of a Bispirooxindole Scaffold Containing a Tetrahydro‐β‐carboline Moiety Through an Organocatalytic Asymmetric Cascade Reaction.
Authors: Dai Wei , Lu Han , Li Xin , Shi Feng , Tu Shu‐Jiang 
Published: February 2015

AbstractA three‐component cascade Michael/Pictet—Spengler reaction of isatins, isatin‐derived 3‐indolylmethanols, and 2‐aminomalonate in the presence of a BINOL‐phosphonic acid catalyst is developed to provide bisspirooxindoles with excellent diastereo‐ and enantioselectivities.
ChemInform Abstract: Synthetic Epoxy‐Mycolic Acids.
Authors: Al Kremawi Dakhil Z. , Al Dulayymi Juma'a R. , Baird Mark S. 
Published: February 2015

AbstractSome single enantiomers of epoxy‐mycolic acids containing an α‐methyl‐trans‐alkene or a cis‐cyclopropane are synthesized.
ChemInform Abstract: Synthesis of Functionalized β‐Lactams and Pyrrolidine‐2,5‐diones Through a Metal‐Free Sequential Ugi‐4CR/Cyclization Reaction.
Authors: Ghabraie Elmira , Balalaie Saeed , Mehrparvar Saber , Rominger Frank 
Published: February 2015

AbstractThe 4‐component reaction affords intermediate N‐substituted 2‐alkynamides of type (V).
ChemInform Abstract: Regioselective Synthesis of Novel and Diverse Naphtho[1,2‐b]furan‐3‐carboxamides and Benzofuran‐3‐carboxamides by Cascade Formal [3 + 2] Cycloaddition.
Authors: Xia Likai , Lee Yong Rok 
Published: February 2015

AbstractThe title compounds (III) and (V) are efficiently obtained by In(OTf)3‐catalyzed formal cascade [3 + 2] cycloaddition of 1,4‐naphthoquinones or benzoquinones with β‐ketoamides.
ChemInform Abstract: Solvent‐Free Synthesis of 2‐Aminothiophene‐3‐carbonitrile Derivatives Using High‐Speed Vibration Milling.
Authors: Xu Fang , Li Yujin , Xu Fengshuang , Ye Qing , Han Liang , Gao Jianrong , Yu Wubin 
Published: February 2015

AbstractA green and convenient method for the synthesis of the title thiophenecarbonitrile derivatives using a three‐component reaction under vibration milling is developed.
ChemInform Abstract: Studies on the Synthesis and Bioactivities of 4‐Amino Derivatives of Tetramic Acid.
Authors: Liu Yu‐Xiu , Zhao Hua‐Ping , Song Hai‐Bin , Gu Yu‐Cheng , Wang Qing‐Min 
Published: February 2015

AbstractNew derivatives (IIIa) and (IIId) exhibit good herbicidal activities against Arabidopsis thaliana and compound (VIIIb) shows relatively good antifungal activity against Alternaria solani and Botrytis cineria.
ChemInform Abstract: AcOH‐Mediated Dichloroimination of Indoles Using Chloramine‐B: A Facile Access to 2,3‐Functionalized Indolines.
Authors: Liu Xiaozu , Hu Qinghong , Yuan Zeli , Liu Peijun 
Published: February 2015

AbstractApplication of the described method to tryptamine (VI) affords pyrrolidinoindole (VII).
ChemInform Abstract: A Facile Synthesis of 2H‐Indazoles under Neat Conditions and Further Transformation into Aza‐γ‐Carboline Alkaloid Analogues in a Tandem One‐Pot Fashion.
Authors: Vidyacharan Shinde , Sagar A. , Chaitra N. C. , Sharada Duddu S. 
Published: February 2015

AbstractAn efficient and green protocol for the microwave‐promoted synthesis of indazoles via a consecutive formation of C—N and N—N bonds without any catalyst and solvent is described.
ChemInform Abstract: Efficient One‐Pot Solvent‐Free Synthesis of 1H‐Pyrazolo[1,2‐b]phthalazine‐5,10‐diones Catalyzed by Sulfonic Acid Functionalized Nanoporous Silica (SBA‐Pr‐SO3H).
Authors: Ziarani Ghodsi Mohammadi , Mohtasham Nina Hosseini , Badiei Alireza , Lashgari Negar 
Published: February 2015

AbstractSulfonic acid functionalized nanoporous silica SBA‐15 catalyzes the cyclocondensation reaction of phthalhydrazide, malononitrile, or ethyl cyanoacetate and aldehydes to afford the title species in a one‐pot manner.
ChemInform Abstract: Sequential Synthesis of Amino‐1,4‐naphthoquinone‐appended Triazoles and Triazole‐chromene Hybrids and Their Antimycobacterial Evaluation.
Authors: Devi Bala Balasubramanian , Muthusaravanan Sivasubramanian , Choon Tan Soo , Ashraf Ali Mohamed , Perumal Subbu 
Published: February 2015

Abstract38 Title compounds of type (III) and (V) are prepared and screened for their in vitro activity against Mycobacterium tuberculosis H37Rv (MTB).
ChemInform Abstract: An Efficient One‐Pot Strategy for the Highly Regioselective Metal‐Free Synthesis of 1,4‐Disubstituted‐1,2,3‐triazoles.
Authors: Ali Akbar , Correa Arlene G. , Alves Diego , Zukerman‐Schpector Julio , Westermann Bernhard , Ferreira Marco A. B. , Paixao Marcio W. 
Published: February 2015

AbstractThe target products are obtained from various alkylidene malonitriles and aromatic azides.
ChemInform Abstract: Modular Synthesis of Bis‐ and Tris‐1,2,3‐triazoles by Permutable Sequential Azide—Aryne and Azide—Alkyne Cycloadditions.
Authors: Yoshida Suguru , Nonaka Takako , Morita Takamoto , Hosoya Takamitsu 
Published: February 2015

AbstractKey of the described method is the efficient generation of arynes from ortho‐iodoaryl triflates, e.g. (I), bearing a base‐sensitive terminal alkyne moiety, which is achieved using trimethylsilylmethyl Grignard reagent.
ChemInform Abstract: A Convenient Eco‐Friendly System for the Synthesis of 5‐Sulfenyl Tetrazole Derivatives of Indoles and Pyrroles Employing CeCl3·7H2O in PEG‐400.
Authors: Fortes Margiani P. , Bassaco Mariana M. , Kaufman Teodoro S. , Silveira Claudio C. 
Published: February 2015

AbstractA facile and efficient synthesis of 5‐sulfenyltetrazoles from thiocyanates derived from 1H‐indoles, and 1‐phenyl pyrroles under environmentally friendly conditions, is reported.
ChemInform Abstract: Catalytic 1,4‐Rhodium(III) Migration Enables 1,3‐Enynes to Function as One‐Carbon Oxidative Annulation Partners in C—H Functionalizations.
Authors: Burns David J. , Lam Hon Wai 
Published: February 2015

AbstractAn unexpected mode of oxidative annulation in Rh‐catalyzed C‐H functionalizations of arenes having hydroxy‐substituted functionalities with 1,3‐enynes containing allylic hydrogens cis to the alkynes is described.
ChemInform Abstract: Rhodium(III)‐Catalyzed Decarbonylative Coupling of Maleic Anhydrides with Alkynes.
Authors: Matsuda Takanori , Suzuki Kentaro 
Published: February 2015

AbstractThe coupling of diphenylacetylene (IIa) with the parent maleic anhydride and succinic anhydride derivatives fails.
ChemInform Abstract: Organocatalytic Cascade Reactions: Towards the Diversification of Hydroisochromenes and Chromenes Through Two Different Activation Modes.
Authors: Cruz Cruz David , Mose Rasmus , Villegas Gomez Clarisa , Torbensen Stine V. , Larsen Martin S. , Joergensen Karl Anker 
Published: February 2015

AbstractFunctionalized hydroisochromenes (III), (V) and chromenes (VII) are enantioselectively obtained by trienamine‐mediated [4+2]‐cycloaddition/nucleophilic ring‐closing or iminium‐ion/aminal‐mediated oxa‐Michael/Michael/nucleophilic ring‐closing reactions of 2‐nitroallylic alcohols (II).
ChemInform Abstract: An Efficient and Reusable Ionic Liquid Catalyst for the Synthesis of 14‐Aryl‐14H‐dibenzo[a,j]xanthenes under Solvent‐Free Conditions.
Authors: Zhu Anlian , Bai Shukun , Jin Wei , Liu Ruixia , Li Lingjun , Zhao Yang , Wang Jianji 
Published: February 2015

AbstractCatalyst is recyclable and reusable at least 6 times.
ChemInform Abstract: Pd‐Mediated Multicomponent Synthesis of Highly Functionalized Pyridines and Consequential C—C Coupling Using Suzuki Reaction in One Pot: Their in vitro Evaluation as Potential Antibacterial Agents.
Authors: Srinivasula Reddy L. , Ram Reddy T. , Gangi Reddy N. C. , Mohan Reddy Bodireddy , Lingappa Y. 
Published: February 2015

AbstractSome of the new compounds, (Vb), (Vg), (Vh), show good inhibition against the multi drug resistant gram‐negative bacterial strain Klebsiella pneumoniae (MTCC 109), nearly equivalent to that of reference drug chloramphenicol.
ChemInform Abstract: α‐Acryloylamidoalkyl Sulfones in a Synthetic Approach for the Preparation of 6‐Alkyltetrahydropyridin‐2‐ones.
Authors: Lucchetti Nicola , Lancianesi Stefano , Petrini Marino 
Published: February 2015

Abstractα‐Acryloylamidoalkyl sulfones are converted with in situ generated allylzinc bromides to give a range of dienic products.
ChemInform Abstract: Oxidative Catalysis Using the Stoichiometric Oxidant as a Reagent: An Efficient Strategy for Single‐Electron‐Transfer‐Induced Tandem Anion—Radical Reactions.
Authors: Kafka Frantisek , Holan Martin , Hidasova Denisa , Pohl Radek , Cisarova Ivana , Klepetarova Blanka , Jahn Ullrich 
Published: February 2015

AbstractCatalytic aza‐Michael and Michael addition reactions/radical cyclizations/oxygenation reactions which incorporate the N‐oxopiperidinium oxidant (III) as a functionality into the products are described.
ChemInform Abstract: Easily Accessible Auxiliary for Palladium‐Catalyzed Intramolecular Amination of C(sp2)—H and C(sp3)—H Bonds at δ‐ and ε‐Positions.
Authors: Wang Chao , Chen Changpeng , Zhang Jingyu , Han Jian , Wang Qian , Guo Kun , Liu Pei , Guan Mingyu , Yao Yingming , Zhao Yingsheng 
Published: February 2015

AbstractAn oxalamide derived N,O‐bidentate auxiliary is developed to offer the synthesis of various 5‐ and 6‐membered nitrogen heterocycles.
ChemInform Abstract: Cobalt‐Catalyzed, Aminoquinoline‐Directed Coupling of sp2 C—H Bonds with Alkenes.
Authors: Grigorjeva Liene , Daugulis Olafs 
Published: February 2015

AbstractThe coupling of N‐(8‐quinolinyl) substituted amides with olefins is developed using air as the oxidant.
ChemInform Abstract: An Efficient Synthesis of Pyrroline‐Fused Acridine Derivatives Catalyzed by Silica Sulfuric Acid.
Authors: Hu Ming‐Hua , Lin Wei , Cao Cheng‐Pao , Huang Zhi‐Bin , Shi Da‐Qing 
Published: February 2015

AbstractThe title compounds (III) and (V) are efficiently obtained by cascade reaction of isatins with enaminones.
ChemInform Abstract: Synthesis of 2,5,7‐Triaryl‐4,7(6,7)‐dihydropyrazolo[1,5‐a]pyrimidine‐3‐carbonitriles by Reaction of 5(3)‐Amino‐3(5)‐aryl‐1H‐pyrazole‐4‐carbonitriles with Chalcones.
Authors: Kolosov Maksim A. , Beloborodov Dmitriy A. , Kulyk Olesia G. , Orlov Valeriy D. 
Published: February 2015

AbstractIn DMSO solution, derivatives (III) exist in equilibrium of two tautomeric forms in various ratios depending on the nature of aryl substituents in chalcone building blocks.
ChemInform Abstract: A Regioselective Biginelli‐Like Reaction Controlled by the Size of Alicyclic Mono‐ketones.
Authors: Wan Yu , Yuan Rui , Xu Hua‐hong , Wang Chao , Qi Jin‐long , Wu Hui 
Published: February 2015

AbstractThe regioselective Biginelli‐like reaction of alicyclic mono‐ketones, aromatic aldehydes, and urea in ionic liquid is controlled by the size of the alicyclic mono‐ketones and the steric hindrance of aromatic aldehydes.
ChemInform Abstract: 8‐Alkyl[1,2,4]triazolo[5,1‐b]purines.
Authors: Savateev K. V. , Ulomsky E. N. , Borisov S. S. , Voinkov E. K. , Fedotov V. V. , Rusinov V. L. 
Published: February 2015

AbstractA novel, regioselective method for the synthesis of the title compounds (VI) as structural analogues of unnatural nucleosides is developed.
ChemInform Abstract: Access to 6‐Arylpyrrolo[2,3‐d]pyrimidines via a Palladium‐Catalyzed Direct C—H Arylation Reaction.
Authors: Dodonova Jelena , Tumkevicius Sigitas 
Published: February 2015

AbstractThe title compounds are prepared by regioselective 6‐arylation of 7‐methyl‐2,4‐diaryl‐7H‐pyrrolo[2,3‐d]pyrimidines (I), (IV), and (VI) with aryl bromides (II).
ChemInform Abstract: A Highly Efficient Procedure for the Synthesis of Quinoxaline Derivatives Using Polyvinylpolypyrrolidone Supported Triflic Acid Catalyst (PVPP·OTf).
Authors: Khaksar Samad , Tajbakhsh Mahmoud , Gholami Milad , Rostamnezhad Fariba 
Published: February 2015

AbstractSupported TfOH appears to be a useful and recyclable heterogeneous catalyst for the rapid and efficient synthesis of guinoxaline derivatives via condensation of aromatic 1,2‐diamines with 1,2‐dicarbonyl compounds in water.
ChemInform Abstract: Regioselective Synthesis of Thiophene Fused Sultam Derivatives via Iodocyclization Approach and Their Application Towards Triazole Linker.
Authors: Barange Deepak Kumar , Kavala Veerababurao , Kuo Chun‐Wei , Wang Cheng‐Chuan , Rajawinslin R. R. , Donala Janreddy , Yao Ching‐Fa 
Published: February 2015

AbstractAn efficient synthesis of 4‐iodo‐thieno[3,2‐e]thiazines (II) via intramolecular iodocyclization is described.
ChemInform Abstract: Expedient Synthesis of Fused Azepine Derivatives Using a Sequential Rhodium(II)‐Catalyzed Cyclopropanation/1‐Aza‐Cope Rearrangement of Dienyltriazoles.
Authors: Schultz Erica E. , Lindsay Vincent N. G. , Sarpong Richmond 
Published: February 2015

AbstractA general process for the cyclization of 1,2,3‐triazoles of type (I) and (III) having a tethered dienyl side chain is developed to provide the synthesis of fused dihydroazepines through a Rh‐catalyzed cyclopropanation/1‐aza‐Cope rearrangement.
ChemInform Abstract: Synthesis of Methyl 7,9‐Dimethyl‐5‐oxo‐2,3,4,5‐tetrahydro‐1H‐benzo[b]azepine‐1‐carboxylate and Its Analogues.
Authors: Vaid Radhe K. , Boini Sathish K. , Alt Charles A. , Spitler Jeremy T. , Hadden Chad E. , Frank Scott A. , Moher Eric D. 
Published: February 2015

AbstractThe synthesis of (Ia) on an industrial scale is elaborated and applied to the preparation of (Ib,c) and (II).
ChemInform Abstract: Short Synthesis of Enantiopure Thieno[2,3‐f]triazolo[1,5‐a][1,4]diazepines and Thieno[2,3‐f][1,4]diazepin‐5‐ones.
Authors: Molteni Giorgio 
Published: February 2015

AbstractThe title compounds (IV) and (VII) are obtained in two steps starting from 2‐carboxy‐3‐thenylazide (I) and enantiopure amines as chiral building blocks involving an intramolecular azide cycloaddition as the key step.
ChemInform Abstract: Phosphine‐Catalyzed anti‐Carboboration of Alkynoates with Alkyl‐, Alkenyl‐, and Arylboranes.
Authors: Nagao Kazunori , Ohmiya Hirohisa , Sawamura Masaya 
Published: February 2015

AbstractThe transformation of the 2‐tolyl substituted analogue of the phenyl alkynoate (III) requires 100 °C to provide a moderate yield of the corresponding sterically congested alkylborane.
ChemInform Abstract: Copper(I)‐Catalyzed Highly Regio‐ and Stereoselective Hydrosilylation of Terminal Alkynes with Boryldisiloxane.
Authors: Zhou Hui , Wang Yan‐Bo 
Published: February 2015

AbstractTerminal alkynes regio‐ and stereoselectively undergo hydrosilylation with 1,3‐(pinacolboryl)disiloxane (I) as a novel silicon source.
ChemInform Abstract: Two New Acidic Diterpenoids from the Heartwood of Pinus massoniana Lamb.
Authors: Abd. Mohamed H. , Hsieh Chin‐Lin , Hsu Chin , Kuo Ching‐Chuan , Chang Hsuan‐Shuo , Lee Ching‐Kuo , Lee Tzon‐Huei , Wu Jin‐Bin , Chang Chi‐I , Kuo Yueh‐Hsiung 
Published: February 2015

Abstractisolation and structure determination of a new abietane diterpene, named abietopinoic acid (I), and a new podocarpane diterpene, podopinoic acid (II)
ChemInform Abstract: Interaction of 16‐Hydroxymethylidene Derivatives of Androstane and Estrone with Thiohydrazides of Oxamic Acids.
Authors: Zavarzin I. V. , Antonov Ya. S. , Chernoburova E. I. , Shchetinina M. A. , Kolotyrkina N. G. , Shashkov A. S. 
Published: February 2015

AbstractThe title reaction leads to thiohydrazones which cyclize in situ in refluxing AcOH furnishing thiadiazole derivatives (IV) and (V) in good yield.
ChemInform Abstract: FeCl3·6H2O/C: An Efficient and Recyclable Catalyst for the Synthesis of 2,3‐Unsaturated O‐and S‐Glycosides.
Authors: Zhou Jiafen , Chen Heshan , Shan Junjie , Li Juan , Yang Guofang , Chen Xuan , Xin Kunyun , Zhang Jianbo , Tang Jie 
Published: February 2015

AbstractFeCl3·6H2O/C is used as catalyst for the synthesis of 35 2,3‐unsaturated O‐and S‐glycosides.
ChemInform Abstract: Brocaeloids A—C, 4‐Oxoquinoline and Indole Alkaloids with C‐2 Reversed Prenylation from the Mangrove‐Derived Endophytic Fungus Penicillium brocae.
Authors: Zhang Peng , Meng Ling‐Hong , Mandi Attila , Kurtan Tibor , Li Xiao‐Ming , Liu Yang , Li Xin , Li Chun‐Shun , Wang Bin‐Gui 
Published: February 2015

AbstractThe three new brocaeloids (I)‐(III) are isolated from the cultures of penicillium brocae MA‐192.
ChemInform Abstract: New Lignans from the Leaves and Stems of Schisandra chinensis and Their anti‐HIV‐1 Activities.
Authors: Shi Yiming , Zhong Weimao , Chen Huan , Wang Ruirui , Shang Shanzhai , Liang Chengqin , Gao Zhonghua , Zheng Yongtang , Xiao Weilie , Sun Handong 
Published: February 2015

AbstractSix new lignans (I), (II), (III), and (IV) are isolated along with five known ones from the leaves and stems of Schisandra chinensis.
Atomistic Modeling of IR Action Spectra Under Circularly Polarized Electromagnetic Fields: Toward Action VCD Spectra
Authors: Calvo Florent 
Published: February 2015

AbstractThe nonlinear response and dissociation propensity of an isolated chiral molecule, camphor, to a circularly polarized infrared laser pulse was simulated by molecular dynamics as a function of the excitation wavelength. The results indicate similarities with linear absorption spectra, but also differences that are ascribable to dynamical anharmonic effects. Comparing the responses between left‐ and right‐circularly polarized pulses in terms of dissociation probabilities, or equivalently between R‐ and S‐camphor to a similarly polarized pulse, we find significant differences for the fingerprint C = O amide mode, with a sensitivity that could be sufficient to possibly enable vibrational circular dichroism as an action technique for probing molecular chirality and absolute conformations in the gas phase. Chirality 27:253–261, 2015. © 2015 Wiley Periodicals, Inc.
Increased anxiety‐like behavior and selective learning impairments are concomitant to loss of hippocampal interneurons in the presymptomatic SOD1(G93A) ALS mouse model
Authors: Quarta Eros , Bravi Riccardo , Scambi Ilaria , Mariotti Raffaella , Minciacchi Diego 
Published: February 2015

ABSTRACTAmyotrophic lateral sclerosis (ALS), a fatal neurodegenerative disease primarily characterized by motor neuron death, causes damages beyond motor‐related areas. In particular, cognitive impairments and hippocampal damage have been reported in ALS patients. We investigated spatial navigation learning and hippocampal interneurons in a mutant SOD1(G93A) mouse (mSOD1) model of ALS. Behavioral tests were performed by using presymptomatic mSOD1 mice. General motor activity was comparable to that of wild‐type mice in the open‐field test, in which, however mSOD1 exhibited increased anxiety‐like behavior. In the Barnes maze test, mSOD1 mice displayed a delay in learning, outperformed wild‐type mice during the first probe trial, and exhibited impaired long‐term memory. Stereological counts of parvalbumin‐positive interneurons, which are crucial for hippocampal physiology and known to be altered in other central nervous system regions of mSOD1 mice, were also performed. At postnatal day (P) 56, the population of parvalbumin‐positive interneurons in mSOD1 mice was already reduced in CA1 and in CA3, and at P90 the reduction extended to the dentate gyrus. Loss of parvalbumin‐positive hippocampal interneurons occurred mostly during the presymptomatic stage. Western blot analysis showed that hippocampal parvalbumin expression levels were already reduced in mSOD1 mice at P56. The hippocampal alterations in mSOD1 mice could at least partly account for the increased anxiety‐like behavior and deficits in spatial navigation learning. Our study provides evidence for cognitive alterations and damage to the γ‐aminobutyric acid (GABA)ergic system in the hippocampus of murine ALS, thereby revealing selective deficits antecedent to the onset of motor symptoms. J. Comp. Neurol. 523:1622–1638, 2015. © 2015 Wiley Periodicals, Inc.
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
Authors: Boese A. Daniel 
Published: February 2015

AbstractDensity functional theory (DFT) has become more successful at introducing dispersion interactions, and can be thus applied to a wide range of systems. Amongst these are systems that contain hydrogen bonds, which are extremely important for the biological regime. Here, the description of hydrogen‐bonded interactions by DFT with and without dispersion corrections is investigated. For small complexes, for which electrostatics are the determining factor in the intermolecular interactions, the inclusion of dispersion with most functionals yields large errors. Only for larger systems, in which van der Waals interactions are more important, do dispersion corrections improve the performance of DFT for hydrogen‐bonded systems. None of the studied functionals, including double hybrid functionals (with the exception of DSD‐PBEP86 without dispersion corrections), are more accurate than MP2 for the investigated species.