bluuebunny/crossref_metadata_2025 huggingface dataset:
Randomized controlled trial of ultrasonic dissection versus standard surgical technique in open left hemicolectomy or total gastrectomy
Authors: Wilhelm D , Szabo M , Glass F , Schuhmacher C , Friess H , Feussner H
Published: December 2010

Background

Ultrasonic dissection devices have been designed for use in open surgery but it is not certain how they compare with standard surgical techniques.

Methods

This was a multicentre randomized controlled trial comparing ultrasonic dissection with the traditional surgical technique for haemostasis and dissection during left hemicolectomy and total gastrectomy. The primary endpoint was duration of operation; secondary endpoints were blood loss and other intraoperative parameters, and patient outcomes. Performance of the two techniques was rated by surgeons and assistants on a ten-point Likert scale.

Results

The analysis included 100 patients in the ultrasonic and 101 in the conventional dissection group. Patient demographics, and clinical and tumour-related parameters were similar in the two groups. There was no significant difference in duration of operation (mean 170 and 178 min in ultrasonic and conventional groups respectively; P = 0·405). Nor were there significant differences in intraoperative blood loss (median 350 and 400 ml respectively; P = 0·882), other intraoperative parameters, oncological or functional outcome. The ultrasonic dissector device was rated one point higher than conventional techniques by the surgeons.

Conclusion

Use of the ultrasonic dissector in open total gastrectomy and hemicolectomy had no impact on the overall operating time or other endpoints studied. Surgeons preferred the ultrasonic device for dissection. Registration number: ISRCTN97779420 (http://www.controlled-trials.com).
Recruiting and mentoring minority faculty members
Authors: Vega William , Yglesias Kenneth , Murray John P.
Published: December 2010

For the foreseeable future, community colleges must seriously address hiring, retaining, and facilitating upward mobility for faculty members. Moreover, they should recruit a faculty corps that is more reflective of both the students they serve and the demographics of their college service area. It is critical for community colleges to employ and retain a diverse faculty.
Legal concerns in community college employment matters
Authors: Rodriguez Roy C.
Published: December 2010

The American community college has posed, for a period of time, some distinctively unique concerns pertaining to legal issues. However, the most pressing legal issues facing community colleges now are those regarding personnel.
Hiring for student success: A perspective from community college presidents
Authors: Gnage Marie Foster , Drumm Kevin E.
Published: December 2010

Community colleges must ensure that the hiring process reflects the desired outcome by first defining student success and then allowing the definition and description to guide all steps of the hiring process while avoiding pitfalls along the way.
Regiocontrolled Halohydroxylations of Bicyclic Vinylidenecyclopropanes: A Versatile Strategy for the Construction of Diverse Highly Functionalized Carbocyclic Scaffolds
Authors: Su Chenliang , Cao Jian , Huang Xin , Wu Luling , Huang Xian
Published: December 2010

Highly regioselective halohydroxylations of bicyclic vinylidenecyclopropanes that lead to four types of products 2, 3, 4, and 6 were developed. The halohydroxylation reaction occurs at room temperature to give rise to ring‐keeping products vinylbicyclo[(n+2).1.0]alkanols 2 in 55–90 % yields with excellent regio‐ and diastereoselectivity; the reaction of bicyclic vinylidenecyclopropanes with 2.0 equiv of N‐bromosuccinimide (NBS) at 100 °C affords alkylidenebicyclo[(n+2).2.0]alkanones 3 in 48–75 % yields by means of further proximal cleavage of the cyclopropane ring. The structures of both types of compounds 2 and 3 have been elucidated by X‐ray crystal diffraction. An interesting sequential reaction that consists of a couple electrophilic addition and elimination reactions was developed when the reaction of bicyclic vinylidenecyclopropanes with N‐halosuccinimide (NXS; 3.0 equiv) was performed under the specified conditions to furnish a variety of divinyl ketones 4 by means of proximal cleavage of the cyclopropane ring. In addition, vinylidenecyclopropanes that bore one aryl group at the cyclopropyl ring reacted with NBS or I2 at room temperature, thereby producing the corresponding divinyl ketones 4 in moderate to good yields with excellent E selectivity. Unexpectedly, 2‐vinylic cyclohex‐2‐enols 6 were generated through a very different distal CC bond cleavage of the cyclopropane due to the significant ring‐size effect. Possible mechanisms are proposed on the basis of the obtained intermediates.
Role of Steric Effects in Protein‐Directed Enediyne Cycloaromatization of Neocarzinostatin
Authors: Chi Hung‐Wen , Chien Yi‐Chih , Liu Cheng‐Yun , Tseng Chin‐Jui , Lee Yan‐Jiun , Chan Ja‐Lin , Chu Yu‐Ru , Chin Der‐Hang
Published: December 2010

The antibiotic neocarzinostatin comprises a carrier protein with a well‐defined cavity for accommodating an active enediyne chromophore. The protein has two disulfides, one (Cys37–Cys47) lies on the cavity bottom and the other (Cys88–Cys93) in a constrained short loop. When the chromophore is not bound to the protein, a thiol‐induced cycloaromatization of the enediyne into a tetrahydroindacene derivative is responsible for the potent antitumor activity. When it is protein‐bound, the protein diverts the cycloaromatization pathway to form a distinct hydroxyisochromene‐type product. How the protein directs the enediyne chemistry is an interesting puzzle, and various suggestions have been proposed in the past. We screened more than fifty thiols and manipulated conditions to locate reaction features and search for factors that could influence the protein directing strength. Thiol‐ and oxygen‐concentration‐dependence studies suggested that disulfides, which maintain the steric rigidity of the protein, could play a key role in diverting the cycloaromatization pathway. For direct proofs, we made mutations at each of the two disulfides by replacing sulfur atoms with oxygen. Circular dichroism and two‐dimensional NMR spectroscopy studies suggested that the mutations changed neither the protein conformation nor the ligand interactions. Analyses of the thiol‐induced cycloaromatization revealed that rupture of Cys37–Cys47 made the protein almost completely lose its chemical directing ability, whereas rupture of Cys88–Cys93 had only a minor influence. The results demonstrated that the steric rigidity of the binding cavity, but not necessary the whole protein, played an important role in the protein‐directed mechanism.
ChemInform Abstract: First‐Principles Study of Defective and Nonstoichiometric Sr2FeMoO6.
Authors: Mishra Rohan , Restrepo Oscar D. , Woodward Patrick M. , Windl Wolfgang
Published: December 2010

The influence of disorder and stoichiometry‐breaking point defects on the structural and magnetic properties of Sr2FeMoO6 is studied by electronic structure calculations within the spin‐polarized GGA+U approach.
ChemInform Abstract: The Novel Arsenate Na4Co7‐xAl2/3x(AsO4)6 (x = 1.37): Crystal Structure, Charge‐Distribution and Bond‐Valencesum Investigations.
Authors: Marzouki Riadh , Guesmi Abderrahmen , Driss Ahmed
Published: December 2010

Single crystals of the new title compound are prepared by solid state reaction of Na2CO3, Co(OAc)2·4H2O, and As2O3 in air (675→1153 K, 3 d).
ChemInform Abstract: Investigation of the Chromic Phase Transition of CuMo0.9W0.1O4 Induced by Surface Protonation.
Authors: Gaudon M. , Riml C. , Turpain A. , Labrugere C. , Delville M. H.
Published: December 2010

The chromic phase transition from the high‐temperature/low‐pressure form of CuMo0.9W0.1O4 (γ‐phase, red‐brown) to the low‐temperature/high‐pressure form (α‐phase, green) is induced at 25 °C by simple immersion of the powder in an acidic aqueous solution.
ChemInform Abstract: Carbon Nanotube‐Amorphous FePO4 Core—Shell Nanowires as Cathode Material for Li Ion Batteries.
Authors: Kim Sung‐Wook , Ryu Jungki , Park Chan Beum , Kang Kisuk
Published: December 2010

The title nanowires are prepared by functionalizing multi‐walled carbon nanotubes with carboxyl groups followed by mineralizing them through sequential adsorption of Fe3+ and PO43‐ ions onto the carbon nanotube surface in aqueous solution under ambient conditions.
ChemInform Abstract: Synthesis, Crystal Structure, and Properties of MgxB50C8 or Mgx(B12)4(CBC)2 (C2)2 (x = 2.4—4).
Authors: Adasch Volker , Schroeder Melanie , Kotzott Dominik , Ludwig Thilo , Vojteer Natascha , Hillebrecht Harald
Published: December 2010

Single crystals of the title compounds are synthesized from the elements in a Cu/Mg melt (Ar, 1573—1673 K, 6—30 h) and characterized by single crystal XRD, microhardness measurements, IR, Raman, and UV/VIS spectroscopy.
ChemInform Abstract: Copper‐Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper—Allenylidene Complexes as Key Intermediates.
Authors: Hattori Gaku , Sakata Ken , Matsuzawa Hiroshi , Tanabe Yoshiaki , Miyake Yoshihiro , Nishibayashi Yoshiaki
Published: December 2010

Under optimized conditions, a wide variety of secondary amines undergo the title reaction with propargylic acetates with up to 98% enantioselectivity.
ChemInform Abstract: Rhodium‐Catalyzed Oxidative Cycloaddition of Benzamides and Alkynes via C—H/N—H Activation.
Authors: Hyster Todd K. , Rovis Tomislav
Published: December 2010

In the presence of a copper(II) salt as oxidant, benzamides as well as heterocyclic carboxamides undergo the title reaction with a variety of internal alkynes to give isoquinolinones or the corresponding heteroaryl‐fused pyridine analogues.
ChemInform Abstract: Preparation of 5‐Cyano‐4,6‐dimethyl‐2H‐pyran‐2‐one and 3‐Cyano‐5‐methoxy‐4‐methyl‐5H‐furan‐2‐one via a One‐Pot, Domino‐Knoevenagel Process.
Authors: Dawadi Prativa B. S. , Lugtenburg Johan
Published: December 2010

Ammonium acetate / acetic acid‐catalyzed Knoevenagel reactions are studied.
ChemInform Abstract: A Divergent Approach to Highly Substituted Benzothiepinones and to 2,3‐Dihydrothieno[2,3‐b]thiopyran‐4‐ones.
Authors: Boutillier Peter , Quiclet‐Sire Beatrice , Zafar Syeda Nahid , Zard Samir Z.
Published: December 2010

A variety of highly functionalized benzothiepinones, including libraries of complex aza‐bridged derivatives, and highly functionalized 2,3‐dihydrothieno[2,3‐b]thiopyran‐4‐ones are prepared by combination of the radical and ionic reactions of xanthates.
ChemInform Abstract: Investigation of the Mechanism of C(sp3)—H Bond Cleavage in Pd(0)‐Catalyzed Intramolecular Alkane Arylation Adjacent to Amides and Sulfonamides.
Authors: Rousseaux Sophie , Gorelsky Serge I. , Chung Benjamin K. W. , Fagnou Keith
Published: December 2010

A Pd(0)‐catalyzed intramolecular arylation reaction at aliphatic positions adjacent to a nitrogen atom in amides and sulfonamides is described.
ChemInform Abstract: Dehydrogenative Functionalization of C(sp3)—H Bonds Adjacent to a Heteroatom Mediated by Oxoammonium Salts.
Authors: Richter Heinrich , Garcia Mancheno Olga
Published: December 2010

This methodology provides a safe and easy way to prepare α‐functionalized ethers and amines using oxoammonium TEMPO salt as easy‐to‐handle nontoxic oxidant.
ChemInform Abstract: Catalytic Coupling of N‐Benzylic Sulfonamides with Silylated Nucleophiles at Room Temperature.
Authors: Yang Bai‐Ling , Tian Shi‐Kai
Published: December 2010

Triflimide acts as acidic catalyst for the unprecedented coupling reaction of benzylic sulfonamides with silylated nucleophiles through sp3 carbon—nitrogen bond cleavage.
ChemInform Abstract: Heterogeneous Chiral Copper Complexes of Amino Alcohol for Asymmetric Nitroaldol Reaction.
Authors: Mayani Vishal J. , Abdi Sayed H. R. , Kureshy Rukhsana I. , Khan Noor‐ul H. , Das Anjan , Bajaj Hari C.
Published: December 2010

The Cu complex together with the imine shown represents an efficient system which allows formation of a number of nitro alcohols in good yields with high enantioselectivity.
ChemInform Abstract: Chemoselective Reductive Cross‐Coupling of 1,5‐Diene‐3‐ols with Alkynes: A Facile Entry to Stereodefined Skipped Trienes.
Authors: Diez Peter S. , Micalizio Glenn C.
Published: December 2010

Double substitution of the starting alkenes is crucial for the reaction to proceeds selectively.
ChemInform Abstract: Synthesis and Structures of 8‐Benzyl[2.2]metaparacyclophanes.
Authors: Sharma Bigyan , Shinoda Naoki , Miyamoto Shinpei , Yamato Takehiko
Published: December 2010

The title compounds (III) are prepared via a Friedel—Crafts benzylation.
ChemInform Abstract: Ruthenium‐Catalyzed Hydroxylation of Unactivated Tertiary C—H Bonds.
Authors: McNeill Eric , Du Bois J.
Published: December 2010

Hydroxylation proceeds selectively and the use of KBrO4 as an oxidant and pyridine as a co‐catalyst provides the best results.
ChemInform Abstract: Stereoselective α‐Aminoallylation of Aldehydes with Chiral tert‐Butanesulfinamides and Allyl Bromides.
Authors: Gonzalez‐Gomez Jose C. , Medjahdi Mohamed , Foubelo Francisco , Yus Miguel
Published: December 2010

It provides a straightforward method to prepare optically active homoallylamines.
ChemInform Abstract: Catalyst‐Free, Direct, High Regio‐, and Chemoselective Conversion of Epoxides to 2‐Thiocyanatoalkyl Alkanoates under Neutral and Solvent‐Free Conditions.
Authors: Aghapour Ghasem , Hatefipour Razieh
Published: December 2010

A variety of epoxides is converted to their corresponding thiocyanatoalkyl alkanoates in the presence of tetrabutylammonium rhodanide and aliphatic or aromatic carboxylic anhydrides.
ChemInform Abstract: Stereoselective Synthesis of Functionalized Cyclopropanes from Nitroalkenes via an Organocatalyzed Michael‐Initiated Ring‐Closure Approach.
Authors: Russo Alessio , Lattanzi Alessandra
Published: December 2010

A convenient protocol to nitrocyclopropanes is developed by using commercially available α,α‐(2‐naphthyl)prolinol and bromomalonate with easily accessible trans‐nitrostyrenes.
ChemInform Abstract: Studies on the Asymmetric, Phosphine‐Promoted [3 + 2] Annulations of Allenic Esters with 2‐Aryl‐1,1‐dicyanoalkenes.
Authors: Schuler Marie , Voituriez Arnaud , Marinetti Angela
Published: December 2010

The phosphine (S)‐(BIP) promotes the cycloaddition to produce a number of cyclopentenes of type (III) in good to high yield and enantioselectivity.
ChemInform Abstract: Electronic and Steric Control of Regioselectivities in Rh(I)‐Catalyzed [5 + 2] Cycloadditions: Experiment and Theory.
Authors: Liu Peng , Sirois Lauren E. , Cheong Paul Ha‐Yeon , Yu Zhi‐Xiang , Hartung Ingo V. , Rieck Heiko , Wender Paul A. , Houk K. N.
Published: December 2010

Bulky and electron‐rich alkyne substituents are leading to preferential formation of (2,5)‐ [cf.
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Umpolung Allylation of Imines with Allylic Alcohols.
Authors: Qiao Xiang‐Chen , Zhu Shou‐Fei , Chen Wang‐Qiao , Zhou Qi‐Lin
Published: December 2010

The direct use of highly stable and easily available allylic alcohols instead of allylic metal reagents facilitates the preparation of chiral homoallylic amines.
ChemInform Abstract: Selective Copper‐Promoted Cross‐Coupling of Aromatic Amines with Alkyl Boronic Acids.
Authors: Larrosa Marta , Guerrero Cesar , Rodriguez Ramon , Cruces Jacobo
Published: December 2010

The process allows a simple and mild N‐monoalkylation of various structurally diverse anilines.
ChemInform Abstract: New Synthetic Route for Selectively Substituted 1,n‐Diamines. Synthesis of N‐Aryl Tetra‐ and Pentamethylenediamines.
Authors: Ramirez Maria A. , Corona Maria V. , Blanco Maria M. , Perillo Isabel A. , Porcal Williams , Salerno Alejandra
Published: December 2010

Various title compounds of biological interest are available via the hydrolysis of N‐acylalkylenediamine intermediates.
ChemInform Abstract: Copper‐Promoted Enantioselective Reformatsky‐Type Reaction with Ketones.
Authors: Benfatti Fides , Cozzi Pier Giorgio
Published: December 2010

The reaction provides a new approach to optically active β‐hydroxyalkanoates.
ChemInform Abstract: Axially Chiral Dicarboxylic Acid‐Catalyzed Asymmetric Imino Aza‐Enamine Reaction/Oxidation as a Strecker Reaction Surrogate.
Authors: Hashimoto Takuya , Kimura Hidenori , Maruoka Keiji
Published: December 2010

The described method provides a practical tool for the preparation of the Strecker‐type products without resorting to the use of highly toxic cyanide sources.
ChemInform Abstract: A Novel Application of (Diacetoxyiodo)benzene for Carbon—Carbon Cleavage of Aryl Diamines and Synthesis of Quinones.
Authors: Telvekar Vikas N. , Bachhav Harshal M.
Published: December 2010

Treatment of various 1,2‐diamino aryl compounds under mild conditions A) results in C—C bond cleavage to afford dinitriles.
ChemInform Abstract: Straightforward Conversion of Arene Carboxylic Acids into Aryl Nitriles by Palladium‐Catalyzed Decarboxylative Cyanation Reaction.
Authors: Ouchaou Kahina , Georgin Dominique , Taran Frederic
Published: December 2010

ortho‐Substituted electron‐rich arene carboxylic acids react with cyanohydrin (II) to give nitriles with a broad spectrum concerning the product yield.
ChemInform Abstract: Regioselective Synthesis of 5‐(Arylsulfanyl)‐ and 5‐(Benzylsulfanyl)‐6‐phenylsalicylates by One‐Pot Cyclizations of 1,3‐Bis(silyloxy)buta‐1,3‐dienes with 2‐(Arylsulfanyl)‐ and 5‐(Benzylsulfanyl)‐3‐ethoxy‐1‐phenylprop‐2‐en‐1‐ones.
Authors: Fatunsin Olumide , Shkoor Mohanad , Riahi Abdolmajid , Hussain Munawar , Villinger Alexander , Fischer Christine , Langer Peter
Published: December 2010

The propenone derivatives (I) are obtained by reaction of bromoacetophenone with thiophenols and subsequent treatment with triethylorthoformate.
ChemInform Abstract: Oxalyl Chloride as Carbonyl Synthon in Pd‐Catalyzed Carbonylations of Triarylbismuth and Triarylindium Organometallic Nucleophiles.
Authors: Rao Maddali L. N. , Venkatesh Varadhachari , Dasgupta Priyabrata
Published: December 2010

A broad spectrum of target compounds is available for both methods.
ChemInform Abstract: The First Iron‐Catalyzed Aluminum‐Variant Negishi Coupling: Critical Effect of Co‐Existing Salts on the Dynamic Equilibrium of Arylaluminum Species and Their Reactivity.
Authors: Kawamura Shintaro , Ishizuka Kentaro , Takaya Hikaru , Nakamura Masaharu
Published: December 2010

A well‐defined organoaluminum “ate” complex is proposed as active species in the title Fe‐catalyzed cross‐coupling reaction.
ChemInform Abstract: Rhodium‐Catalyzed Enantioselective Alkynylative Cyclization of Allenyl Aldehydes with Terminal Alkynes.
Authors: Guo Xun‐Xiang , Sawano Takahiro , Nishimura Takahiro , Hayashi Tamio
Published: December 2010

The use of a rhodium catalyst with acac ligand is important for the selective formation of the indanol derivatives without isomerization into the indanones.
ChemInform Abstract: Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt.
Authors: Singh Ravi P. , Foxman Bruce M. , Deng Li
Published: December 2010

A new chiral catalyst, based on the alkaloid‐derived thiourea and a carboxylic acid, is applied in the reaction of the variety of aromatic, heteroaromatic and aliphatic aldehydes with silyloxy furan (I) and substituted derivatives [cf.
ChemInform Abstract: Gold(III)‐Catalyzed Tandem Reaction of O‐Arylhydroxylamines with 1,3‐Dicarbonyl Compounds: Highly Selective Synthesis of 3‐Carbonylated Benzofuran Derivatives.
Authors: Liu Yunkui , Qian Jianqiang , Lou Shaojie , Xu Zhenyuan
Published: December 2010

The reaction provides a new and widely applicable method to prepare the title compounds and proceeds in most cases with high regioselectivity.
ChemInform Abstract: Tandem Vinylogous 1,2‐Addition/Anionic Oxy‐Cope Reaction Leading from Butadiene Sulfone to an Orthogonally Functionalized Bicycle.
Authors: Brant Michael G. , Bromba Caleb M. , Wulff Jeremy E.
Published: December 2010

Treatment of the sulfone (I) with the ketones (II) and (VIII) leads to keto sulfones via 1,2‐addition and oxy‐Cope rearrangement.
ChemInform Abstract: Enantioselective Organo‐SOMO Cascade Cycloadditions: A Rapid Approach to Molecular Complexity from Simple Aldehydes and Olefins.
Authors: Jui Nathan T. , Lee Esther C. Y. , MacMillan David W. C.
Published: December 2010

A new approach to the direct construction of the six‐membered carbocycles with high dia‐ and enantioselectivities is demonstrated.
ChemInform Abstract: Pyrrole Synthesis via Allylic sp3 C—H Activation of Enamines Followed by Intermolecular Coupling with Unactivated Alkynes.
Authors: Rakshit Souvik , Patureau Frederic W. , Glorius Frank
Published: December 2010

A novel method is applied to prepare tri‐ and tetrasubstituted pyrrole derivatives in high yields.
ChemInform Abstract: Binap‐Gold(I) Trifluoroacetate as a Bifunctional Catalyst for the Synthesis of Chiral Prolines Through 1,3‐Dipolar Cycloaddition of Azomethine Ylides.
Authors: Martin‐Rodriguez Maria , Najera Carmen , Sansano Jose M. , Wu Feng‐Liu
Published: December 2010

The BINAP‐gold complex induces higher enantioselectivity with sterically hindered substrates than the corresponding silver‐complex.
ChemInform Abstract: Pyrrole and Oligopyrrole Synthesis by 1,3‐Dipolar Cycloaddition of Azomethine Ylides with Sulfonyl Dipolarophiles.
Authors: Robles‐Machin Rocio , Lopez‐Perez Ana , Gonzalez‐Esguevillas Maria , Adrio Javier , Carretero Juan Carlos
Published: December 2010

A new method to prepare diverse pyrroles and oligopyrroles is reported.
ChemInform Abstract: Protection‐Group‐Free Route to Hydroxylated Pyrrolidine and Piperidine Derivatives Through Cu(I)‐Catalyzed Intramolecular Hydroamination of Alkenes.
Authors: Ohmiya Hiroshisa , Yoshida Mika , Sawamura Masaya
Published: December 2010

Title compounds including N‐alkylated aza‐sugars are readily available.
ChemInform Abstract: Formal [3 + 2]‐Cycloaddition‐Based Approach Using Ethoxymethylene Malonate Derivatives: Novel and Expedient Access to Functionalized N‐Acyliminium Precursors.
Authors: Saber Moussa , Comesse Sebastien , Dalla Vincent , Daich Adam , Sanselme Morgane , Netchitailo Pierre
Published: December 2010

Base‐promoted transformation of α‐bromoacetamides provides α‐alkoxy‐γ‐lactam products including the complex derivative (X).
ChemInform Abstract: Facile Synthesis of Optically Active Oxindoles by Copper‐Catalyzed Asymmetric Monotosylation of Prochiral 1,3‐Diols.
Authors: Kuriyama Masami , Tanigawa Satoko , Kubo Yuki , Demizu Yosuke , Onomura Osamu
Published: December 2010

The procedure allows facile and efficient access to various optically active 3,3‐disubstituted oxindoles if the N‐methyl substrate (I) is used.
ChemInform Abstract: Facile Synthesis of Bicyclic Amidines and Imidazolines from 1,2‐Diamines.
Authors: Zhu Qiang , Lu Yixin
Published: December 2010

The reaction is limited to amides derived from pivalic (II) or phenylacetic acids (XII).
ChemInform Abstract: Synthesis of Condensed Heterocycles via Cyclopropylimine Rearrangement of Cyclopropylazoles.
Authors: Tomilov Yury V. , Platonov Dmitry N. , Frumkin Aleksandr E. , Lipilin Dmitry L. , Salikov Rinat F.
Published: December 2010

Neat thermolysis of substrates (I) in the presence of NH4I or as the corresponding hydroiodide (IV) results in rearrangement to benzopyrroloimidazoles.
ChemInform Abstract: An Efficient Synthesis of Hydantoins via Sustainable Integration of Coupled Domino Processes.
Authors: Gao Meng , Yang Yan , Wu Yan‐Dong , Deng Cong , Shu Wen‐Ming , Zhang Dong‐Xue , Cao Li‐Ping , She Neng‐Fang , Wu An‐Xin
Published: December 2010

The target compounds are prepared from 1,3‐dicarbonyl compounds, ureas and methyl ketones or aromatic terminal alkenes.
ChemInform Abstract: Facile Formation of N‐Acyl‐oxazolidinone Derivatives Using Acid Fluorides.
Authors: Schindler Corinna S. , Forster Patrik M. , Carreira Erick M.
Published: December 2010

Oxazolidinones react easily with acid fluorides, including amino acid‐derived ones, to form the desired N‐acylated products with excellent yields.
ChemInform Abstract: Broensted Acid Catalyzed Cyclization of Propargylic Alcohols with Thioamides. Facile Synthesis of Di‐ and Trisubstituted Thiazoles.
Authors: Zhang Xiaoxiang , Teo Wan Teng , Sally Sally , Chan Philip Wai Hong
Published: December 2010

Some limitations are observed.
ChemInform Abstract: Synthesis and Bioassay of Aminosulfonyl‐1,3,4‐oxadiazoles and Their Interconversion to 1,3,4‐Thiadiazoles.
Authors: Padmavathi V. , Reddy S. Nagi , Reddy G. Dinneswara , Padmaja A.
Published: December 2010

12 Aminosulfonyl‐1,3,4‐oxadiazoles and the corresponding 1,3,4‐thiadiazoles of type (III), (IV), (VI), and (VII) are screened for their antimicrobial and antioxidant activities.
ChemInform Abstract: A General Synthetic Strategy for 1,3‐Dihydro‐2,1,3‐benzothiadiazole 2,2‐Dioxides (Benzosulfamides).
Authors: Colyer Dawn E. , Nortcliffe Andrew , Wheeler Simon
Published: December 2010

The short sequence for the synthesis of dialkylated benzosulfamides involves cyclization of o‐phenylenediamine derivative (I) with sulfamide to give benzosulfamide (II) followed by alkylation and deprotection steps.
ChemInform Abstract: Insertion—Coupling—Cycloisomerization Domino Synthesis and Cation‐Induced Halochromic Fluorescence of 2,4‐Diarylpyrano[2,3‐b]indoles.
Authors: Schoenhaber Jan , Frank Walter , Mueller Thomas J. J.
Published: December 2010

The products are obtained in moderate yields and do not show fluorescence.
ChemInform Abstract: Trisubstituted Pyrimidine Derivatives from Tetrafluoropyrimidine.
Authors: Parks Emma L. , Sandford Graham , Yufit Dmitry S. , Howard Judith A. K. , Christopher John A. , Miller David D.
Published: December 2010

The method includes three sequential reactions with nucleophiles as amines and sodium alkoxides.
ChemInform Abstract: A Convenient Route for the Synthesis of Novel 2‐Substituted [1,2,4]Triazolo[1,5‐c]pyrimidine Derivatives.
Authors: Li Chao , Li Zhiming , Wang Quanrui
Published: December 2010

The conversion of hydrazones (III) into the target skeletons (IV) involves oxidative cyclization, bromination and Dimroth rearrangement.
ChemInform Abstract: Intramolecular Aza‐Wittig Reaction: A New Efficient Tool for the Construction of Piperazine 2,6‐Dione Derivatives.
Authors: Majumdar K. C. , Ray Krishanu , Ganai Sintu
Published: December 2010

A simple procedure allows the preparation of unsymmetrically substituted target compounds.
ChemInform Abstract: Selective Fluorodesulfurization of Benzo‐ and Pyrido‐oxazine Derivatives.
Authors: Yin Bin , Inagi Shinsuke , Fuchigami Toshio
Published: December 2010

Optimized conditions are elaborated concerning the amount of N‐halosuccinimides as oxidizing reagents.
ChemInform Abstract: Room‐Temperature Alternative to the Arbuzov Reaction: The Reductive Deoxygenation of Acyl Phosphonates.
Authors: Kedrowski Sean M. A. , Dougherty Dennis A.
Published: December 2010

A one‐pot multistep procedure to prepare alkyl phosphonates from the commercially available acid chlorides or from acid chlorides, generated in situ from the corresponding carboxylic acids with oxalyl chloride.
ChemInform Abstract: Catalytic Asymmetric Hydrophosphonylation of Ynones.
Authors: Uraguchi Daisuke , Ito Takaki , Nakamura Shinji , Ooi Takashi
Published: December 2010

An enantioselective hydrophosphonylation of ynones (I) is achieved by exploiting the nucleophilicity of tetraaminophosphonium phosphite as well as the proton‐donating and stereocontrolling abilities of the chiral aminophosphonium cation.
ChemInform Abstract: Synthesis of Novel Allocolchicine Analogues with a Pyridine C‐Ring Through Intermolecular Vollhardt Diyne—Nitrile Cyclotrimerization.
Authors: Nicolaus Norman , Schmalz Hans‐Guenther
Published: December 2010

The reaction proceeds with high regioselectivity to give isomers of type (III) or (V) as sole or main products.
ChemInform Abstract: Biosynthetic Capacities of Actinomycetes. Part 56. Two New Aurachins from Rhodococcus sp. Acta 2259
Authors: Nachtigall Jonny , Schneider Kathrin , Nicholson Graeme , Goodfellow Michael , Zinecker Heidi , Imhoff Johannes F. , Suessmuth Roderich D. , Fiedler Hans‐Peter
Published: December 2010

isolation, structure elucidation and antimicrobial activities of aurachin Q (Ia) and R (Ib)
ChemInform Abstract: Discovery of a Factor Xa Inhibitor (3R,4R)‐1‐(2,2‐difluoro‐ethyl)‐pyrrolidine‐3,4‐dicarboxylic Acid 3‐[(5‐Chloro‐pyridin‐2‐yl)‐amide] 4‐{[2‐Fluoro‐4‐(2‐oxo‐2H‐pyridin‐1‐yl)‐phenyl]‐amide} as a Clinical Candidate.
Authors: Haap Wolfgang , et al. et al.
Published: December 2010

Compound (I) is found to be a potent, selective and orally bioavailable fXa inhibitor based on a pyrrolidine scaffold.
ChemInform Abstract: Succinic Acid Amides as P2—P3 Replacements for Inhibitors of Interleukin‐1β Converting Enzyme (ICE or Caspase 1).
Authors: Galatsis Paul , et al. et al.
Published: December 2010

The title compound (I), which has been found to be in vitro the most active P2‐P3 replacement fragment, is a potential clinical candidate.
ChemInform Abstract: Novel Multifunctional Materials Based on Oxide Thin Films and Artificial Heteroepitaxial Multilayers
Authors: Opel Matthias , Gepraegs Stephan , Menzel Edwin P. , Nielsen Andrea , Reisinger Daniel , Nielsen Karl‐Wilhelm , Brandlmaier Andreas , Czeschka Franz D. , Althammer Matthias , Weiler Mathias , et al. et al.
Published: December 2010

Review: 144 refs.
ChemInform Abstract: Thermodynamic and Transport Properties of EuBr2—RbBr Binary System
Authors: Rycerz Leszek , Ingier‐Stocka Ewa , Gadzuric Slobodan , Gaune‐Escard Marcelle
Published: December 2010

Review: 41 refs.
ChemInform Abstract: Doped LaGaO3 Based Solid Oxide Fuel Cell Materials and Their Sintering Aspects: An Overview
Authors: Datta Pradyot
Published: December 2010

Review: 227 refs.
ChemInform Abstract: New Functional Magnetic Shape Memory Alloys from First‐principles Calculations
Authors: Entel Peter , Siewert Mario , Dannenberg Antje , Gruner Markus E. , Wuttig Manfred
Published: December 2010

Review: 52 refs.
ChemInform Abstract: Carbodiphosphoranes and Related Ligands
Authors: Petz Wolfgang , Frenking Gernot
Published: December 2010

Review: 149 refs.
ChemInform Abstract: Ylide Ligands
Authors: Urriolabeitia Esteban P.
Published: December 2010

Review: 241 refs.
ChemInform Abstract: Recent Developments in Nonaqueous Plutonium Coordination Chemistry
Authors: Gaunt Andrew J. , Neu Mary P.
Published: December 2010

Review: 75 refs.
ChemInform Abstract: Transition Metal Complexes Stabilized by Bulky Terphenyl Ligands: Application to Metal—Metal Bonded Compounds
Authors: Ni Chengbao , Power Philip P.
Published: December 2010

Review: 190 refs.
ChemInform Abstract: Metal—Metal Bonds in Chains of Three or More Metal Atoms: From Homometallic to Heterometallic Chains
Authors: Berry J. F.
Published: December 2010

Review: 77 refs.
ChemInform Abstract: Recent Progress in the Chemically Catalyzed Enantioselective Synthesis of Cyanohydrins
Authors: Wang Wentao , Liu Xiaohua , Lin Lili , Feng Xiaoming
Published: December 2010

Review: more than 200 refs.
ChemInform Abstract: Asymmetric Epoxidation of α,β‐Unsaturated Ketones Using α,α‐Diarylprolinols as Catalysts
Authors: Zheng Chang Wu , Zhao Gang
Published: December 2010

Review: 31 refs.
ChemInform Abstract: New Developments in the Medicinal Chemistry of Carboranes
Authors: Satapathy Rashmirekha , Dash Barada Prasanna , Maguire John A. , Hosmane Narayan S.
Published: December 2010

Review: overview of the medicinal chemistry of carboranes emphasizing the use of nanoparticles, dendrimers, porphyrins, and carbohydrates as boron carriers; 80 refs.
ChemInform Abstract: Ionic Liquids in the Synthesis of Nanoobjects
Authors: Tarasova N. P. , Smetannikov Yu. V. , Zanin A. A.
Published: December 2010

Review: 82 refs.
ChemInform Abstract: Dimethyl Carbonate: A Modern Green Reagent and Solvent
Authors: Arico F. , Tundo P.
Published: December 2010

Review: 104 refs.
ChemInform Abstract: Chemical Methods of Transformation of Polychlorobiphenyls
Authors: Gorbunova T. I. , Saloutin V. I. , Chupakhin O. N.
Published: December 2010

Review: 123 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed C—P Cross‐Coupling Reactions
Authors: Tappe Florian M. J. , Trepohl Verena T. , Oestreich Martin
Published: December 2010

Review: ca. 200 refs.
ChemInform Abstract: Recent Progress in the Heterogenization of Complexes for Single‐Site Epoxidation Catalysis
Authors: Shylesh Sankaranarayanapillai , Jia Mingjun , Thiel Werner R.
Published: December 2010

Review: about 100 refs.
ChemInform Abstract: The Uses of Supramolecular Chemistry in Synthetic Methodology Development: Examples of Anion and Neutral Molecular Recognition
Authors: Joyce Leo A. , Shabbir Shagufta H. , Anslyn Eric V.
Published: December 2010

Review: 53 refs.
ChemInform Abstract: Advances in Selective Conversions by Heterogeneous Photocatalysis
Authors: Palmisano Giovanni , Garcia‐Lopez Elisa , Marci Giuseppe , Loddo Vittorio , Yurdakal Sedat , Augugliaro Vincenzo , Palmisano Leonardo
Published: December 2010

Review: 90 refs.
ChemInform Abstract: Anions in Crystal Engineering
Authors: Custelcean Radu
Published: December 2010

Review: 38 refs.
ChemInform Abstract: Anion Complexation and Sensing Using Modified Urea and Thiourea‐Based Receptors
Authors: Li Ai‐Fang , Wang Jin‐He , Wang Fang , Jiang Yun‐Bao
Published: December 2010

Review: 102 refs.
ChemInform Abstract: Halogen Bonding: A General Route in Anion Recognition and Coordination
Authors: Cavallo Gabriella , Metrangolo Pierangelo , Pilati Tullio , Resnati Giuseppe , Sansotera Maurizio , Terraneo Giancarlo
Published: December 2010

Review: about 100 refs.
ChemInform Abstract: Recent Advances in the Transmembrane Transport of Anions
Authors: Davis Jeffrey T. , Okunola Oluyomi , Quesada Roberto
Published: December 2010

Review: 158 refs.
ChemInform Abstract: Recognition and Regulation of Unique Nucleic Acid Structures by Small Molecules
Authors: Song Guangtao , Ren Jinsong
Published: December 2010

Review: 152 refs.
ChemInform Abstract: Fate of Endocrine‐Active Compounds During Municipal Biosolids Treatment
Authors: Citulski Joel A. , Farahbakhsh Khosrow
Published: December 2010

Review: 116 refs.
ChemInform Abstract: PlatinumII Acetylide Photophysics
Authors: Muro Maria L. , Rachford Aaron A. , Wang Xianghuai , Castellano Felix N.
Published: December 2010

Review: 105 refs.
Domestic and International Corporate Entrepreneurship through Alliances
Authors: Ortiz‐de‐Urbina‐Criado Marta , Montoro‐Sânchez Ângeles , Romero‐Martînez Ana M.
Published: December 2010

In recent years, international entrepreneurship and international corporate entrepreneurship have attracted great interest. This paper analyzes the effects of asset similarity and complementarity on the decision to use alliances as a means of achieving corporate entrepreneurship. This study reveals that firms with similar assets are more likely to use mergers and acquisitions to achieve corporate entrepreneurship. This is particularly common when these mergers and acquisitions take place between firms from the same country. In contrast, however, firms prefer alliances to achieve international entrepreneurship. In these cases, firms search for partners whose assets are complementary to their own. These findings demonstrate the key role that firms' assets play in choosing alliances as the means of achieving corporate entrepreneurship, especially in an international context. Copyright © 2010 ASAC. Published by John Wiley & Sons, Ltd.
Integrating computational protein function prediction into drug discovery initiatives
Authors: Grant Marianne A.
Published: December 2010

Pharmaceutical researchers must evaluate vast numbers of protein sequences and formulate innovative strategies to identify valid targets and discover leads against them in order to accelerate drug discovery. The ever‐increasing number and diversity of novel protein sequences identified by genomic sequencing projects and the success of worldwide structural genomics initiatives have spurred great interest and impetus in the development of methods for accurate, computationally empowered protein function prediction and active site identification. Previously, in the absence of direct experimental evidence, homology‐based protein function annotation remained the gold standard for in silico analysis and prediction of protein function. However, with the continued exponential expansion of sequence databases, this approach is not always applicable, as fewer query protein sequences demonstrate significant homology to protein gene products of known function. As a result, several non‐homology‐based methods for protein function prediction that are based on sequence features, structure, evolution, biochemical, and genetic knowledge have emerged. This works reviews current bioinformatic programs and approaches for protein function prediction/annotation and discusses their integration into drug discovery initiatives. The development of such methods to annotate protein functional sites and their application to large protein functional families is crucial to successfully using the vast amounts of genomic sequence information available to drug discovery and development processes. Drug Dev Res 72: 4–16, 2011. © 2010 Wiley‐Liss, Inc.
Role of protein flexibility in the discovery of new drugs
Authors: Fuentes Gloria , Dastidar Shubhra Ghosh , Madhumalar Arumugam , Verma Chandra S.
Published: December 2010

Proteins have inherent flexibility, and this plays a critical role in a vast array of biological functions, including ligand binding. Structure‐based drug design (SBDD) strategies incorporate biomolecular structures with computational methods to predict and optimize ligand–receptor complexes. However, these strategies largely involve using static protein snapshots derived by classical X‐ray crystallography, and thus critical and valuable information on flexibility is completely absent. With a historical perspective, we highlight relevant fundamental aspects of the character and importance of the tapestry of flexibility in molecular recognition events, especially when a ligand binds to a protein. Knowledge of methods that can provide details of the full spectrum of flexibility in proteins is a requisite to laying the foundations for linking these concepts with the current algorithms employed in SBDD. Finally, we underline a number of examples that should urge the incorporation of protein flexibility in the industrial drug design pipeline. Drug Dev Res 72: 26–35, 2011. © 2010 Wiley‐Liss, Inc.
Discovering molecular targets in cancer with multiscale modeling
Authors: Wang Zhihui , Bordas Veronika , Deisboeck Thomas S.
Published: December 2010

Multiscale modeling is being recognized increasingly as a promising research area in computational cancer systems biology. In the present review, exemplified by two pioneering studies, we attempt to explain why and how such a multiscale approach paired with an innovative cross‐scale analytical technique can be useful in identifying high‐value molecular therapeutic targets. This novel, integrated approach has the potential to offer a more effective in silico framework for target discovery and represents an important technical step toward systems medicine. Drug Dev Res 72: 45–52, 2011. © 2010 Wiley‐Liss, Inc.
In silico structure‐activity‐relationship (SAR) models from machine learning: a review
Authors: Ning Xia , Karypis George
Published: December 2010

In this article, we review the recent development for in silico Structure‐Activity‐Relationship (SAR) models using machine‐learning techniques. The review focuses on the following topics: machine‐learning algorithms for computational SAR models, single‐target‐oriented SAR methodologies, Chemogenomics, and future trends. We try to provide the state‐of‐the‐art SAR methods as well as the most up‐to‐date advancement, in order for the researchers to have a general overview at this area. Drug Dev Res 72: 138–146, 2011. © 2010 Wiley‐Liss, Inc.
In silico bioinformatic tools for determining core genes from sets of genomes
Authors: Mahadevan Padmanabhan , Seto Donald
Published: December 2010

The set of genes common to a group of organisms is known as the “core” set and the set of genes common to one or more of a group of organisms, but not to all of them is known as the “dispensable” set. Collectively, these two sets comprise the “pan‐genome” of a set of organisms. While there are many software tools available for ortholog detection and clustering, there are far fewer tools to determine the core set of genes as well as the dispensable set. Continued development of these computational and data mining tools is essential to further our understanding of the pan‐genomes of organisms and to make use of them. Drug Dev Res 72: 147–152, 2011. © 2010 Wiley‐Liss, Inc.
Moving beyond in silico tools to in silico science in support of drug development research
Authors: Hunt C. Anthony , Ropella Glen E.P.
Published: December 2010

Exploitation of concretized mechanistic models and simulation methods enables the acquisition of a competitive advantage through deeper, easily shared, mechanistic insight into the disease and/or health phenomena that are the focus of the research and development (R&D) organization. The models are analogues of the biological wet‐lab models used to support that R&D. An analogue is an explanatory and evolving hypothesis about the mechanistic consequences of xenobiotic or biologic interventions. As such, it is fundamentally different from the familiar inductive, equation‐based, pharmacokinetic, pharmacodynamic, and related models. Analogues are designed for experimentation and to be useful in the face of incomplete data and multiple uncertainties. These models use interchangeable components and require iterative refinement. They enable linking coarse‐grained systemic phenomena to fine‐grained molecular details, including molecular targets. To simplify and focus this discussion, we describe one example of the new class of models, in silico livers (ISLs). We present a vision of how the biological wet‐lab side of the R&D process might function when these models and methods are fully implemented within a common computational framework. Accumulated mechanistic knowledge is easily measured and visualized in action; thus, it can be easily challenged. Components within analogues that have been validated for many compounds can use programmed “intelligence” to automatically parameterize for, and respond to, a new, not previously seen compound based on its physicochemical properties. Each analogue can be tuned to reflect differences in experimental conditions and individuals, making translational research more concrete, while moving closer to personalized medicine. Drug Dev Res 72: 153–161, 2011. © 2010 Wiley‐Liss, Inc.
A discovery funnel for nucleic acid binding drug candidates
Authors: Holt Patrick A. , Buscaglia Robert , Trent John O. , Chaires Jonathan B.
Published: December 2010

Computational approaches are becoming increasingly popular for the discovery of drug candidates against a target of interest. Proteins have historically been the primary targets of many virtual screening efforts. Although in silico screens targeting proteins have proved successful, other classes of targets, in particular DNA, remain largely unexplored using virtual screening methods. With the realization of the functional importance of many noncanonical DNA structures such as G‐quadruplexes, increased efforts are under way to discover new small molecules that can bind selectively to DNA structures. In the present work, we describe efforts to build an integrated in silico and in vitro platform for discovering compounds that may bind to a chosen DNA target. Millions of compounds are initially screened in silico for selective binding to a particular structure and ranked to identify several hundred best hits. An important element of our strategy is the inclusion of an array of possible competing structures in the in silico screen. The best hundred or so hits are validated experimentally for binding to the actual target structure by a high‐throughput 96‐well thermal denaturation assay to yield the top 10 candidates. Finally, these most promising candidates are thoroughly characterized for binding to their DNA target by rigorous biophysical methods, including isothermal titration calorimetry, differential scanning calorimetry, spectroscopy, and competition dialysis. This platform was validated using quadruplex DNA as a target and a newly discovered quadruplex binding compound with possible anti‐cancer activity was discovered. Some considerations when embarking on virtual screening and in silico experiments are also discussed. Drug Dev Res 72: 178–186, 2011.  © 2010 Wiley‐Liss, Inc.
Predicting drug‐target interactions based on an improved semi‐supervised learning approach
Authors: Yu Weiming , Cheng Xuan , Li Zhibin , Jiang Zhenran
Published: December 2010

Identifying interactions between compounds and target proteins is an important area of research in drug discovery and there is thus a strong incentive to develop computational approaches capable of detecting these potential compound‐protein interactions efficiently. In this study, two different methods were first utilized to construct chemical and genomic spaces, respectively. Then two spaces were combined into a integrate space to discover the potential compound‐target pairs in the known drug‐target interaction data by an improved semi‐supervised learning method (FLapRLS). The results demonstrated that this prediction method is effective. Drug Dev Res 72: 219–224, 2011.  © 2010 Wiley‐Liss, Inc.
Hydroecology of a New Zealand glacier‐fed river: linking longitudinal zonation of physical habitat and macroinvertebrate communities
Authors: Cadbury Sarah L. , Milner Alexander M. , Hannah David M.
Published: December 2010

In comparison to European glacier‐fed catchments, the hydroecology of New Zealand glacier‐fed rivers has received limited attention, despite the Southern Alps markedly different maritime climate, a more precipitation dominated flow regime and an endemic species assemblage. This study linked longitudinal patterns of the physicochemical habitat and macroinvertebrate community along a New Zealand glacier‐fed river and compared and contrasted these with understanding of European alpine river systems. Habitat variables and benthic macroinvertebrates were sampled over two consecutive summer melt periods at three sites along the Rob Roy stream, a tributary of the Matukituki River, in Mt Aspiring National Park near Wanaka, South Island. Although habitat stability increased downstream from the glacier terminus (Site R1), disturbance remained a limiting factor of macroinvertebrate abundance and species richness at the lower sites (R2 and R3). An average water temperature increase of 2 °C over 3·3 km (from R1 to R3) was observed downstream with habitat heterogeneity and species richness highest at the downstream site (R3). The ephemeropterans Deleatidium cornutum and Nesameletus dominated at the upper two sites with the chironomids Eukiefferiella and Maoridiamesa, but became co‐dominant at R3 with Deleatidium angustum, where other plecopteran and trichopteran taxa were also observed. Distributions were predominantly limited by temperature, thought to be due to adaptation to disturbance observed in taxa of New Zealand alpine streams. However, the plecopteran Zelandobius, although tolerant of cool temperatures, appeared limited to areas and periods when channel stability was higher. Modification of the conceptual model of the longitudinal zonation of macroinvertebrate taxa (Milner et al., 2001a) is proposed to account for the different species assemblage of New Zealand glacier‐fed rivers. Copyright © 2010 John Wiley & Sons, Ltd.